#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pwq n ARG 28 N 0.00 0.03 0.00 5.31 5.12 -1.26 -5.05 116.66 120.81 1pwq n ARG 28 Ca 0.00 0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.93 1pwq n ARG 28 Cb 0.00 -0.27 0.00 0.00 -1.16 0.00 0.00 32.46 31.03 1pwq n ARG 28 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1pwq n ASN 29 N -2.86 0.64 0.05 0.55 3.02 -1.26 -4.81 115.26 110.59 1pwq n ASN 29 Ca -0.01 -1.21 0.12 0.00 -0.03 0.00 0.00 54.58 53.45 1pwq n ASN 29 Cb 0.03 0.00 0.27 0.00 -0.61 0.00 0.00 39.78 39.47 1pwq n ASN 29 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1pwq n LYS 30 N -0.11 0.21 -0.13 3.52 3.00 -1.26 -4.10 118.16 119.28 1pwq n LYS 30 Ca 0.00 0.09 -0.05 0.00 -0.00 0.00 0.00 58.31 58.34 1pwq n LYS 30 Cb 0.27 -1.66 0.01 0.00 0.00 0.00 0.00 35.03 33.66 1pwq n LYS 30 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1pwq h THR 31 N 0.00 0.36 -0.90 3.15 2.02 -1.99 -2.00 112.91 113.55 1pwq h THR 31 Ca 0.00 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.34 1pwq h THR 31 Cb 0.68 0.36 -0.07 0.00 -1.74 0.00 0.00 68.15 67.37 1pwq h THR 31 CO 0.00 0.00 0.58 1.56 0.37 0.00 0.00 175.52 178.03 1pwq h GLN 32 N -0.14 0.63 -0.20 6.66 1.08 -1.95 -3.26 115.11 117.93 1pwq h GLN 32 Ca 0.21 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.37 1pwq h GLN 32 Cb 0.46 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.75 1pwq h GLN 32 CO -0.52 0.41 0.00 -1.91 -0.95 0.00 0.00 178.83 175.86 1pwq n GLU 33 N -4.57 0.00 -0.08 1.46 4.07 -0.75 -1.01 120.64 119.75 1pwq n GLU 33 Ca 0.18 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 57.16 1pwq n GLU 33 Cb 0.52 -0.88 -0.07 0.00 -0.06 0.00 0.00 31.44 30.96 1pwq n GLU 33 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 1pwq h GLU 34 N 0.80 0.00 -0.29 5.31 4.57 -1.80 -3.39 114.58 119.78 1pwq h GLU 34 Ca 0.00 0.00 0.11 0.00 -1.18 0.00 0.00 59.36 58.29 1pwq h GLU 34 Cb 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.54 1pwq h GLU 34 CO 0.00 0.51 0.13 1.58 -1.18 0.00 0.00 179.01 180.05 1pwq n HIS 35 N -4.55 0.31 -0.25 0.92 -0.00 -0.18 0.14 115.22 111.61 1pwq n HIS 35 Ca -0.18 0.34 -0.07 0.00 0.46 0.00 0.00 57.72 58.27 1pwq n HIS 35 Cb 0.44 -0.79 0.05 0.00 -0.12 0.00 0.00 29.99 29.57 1pwq n HIS 35 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 1pwq h LEU 36 N 0.00 1.09 -0.57 0.27 6.46 -1.79 -1.18 115.31 119.59 1pwq h LEU 36 Ca 0.23 -0.24 -0.05 0.00 -0.12 0.00 0.00 57.88 57.71 1pwq h LEU 36 Cb 0.60 -0.29 -0.01 0.00 -0.73 0.00 0.00 40.66 40.23 1pwq h LEU 36 CO -0.23 1.04 -0.22 0.11 -0.62 0.00 0.00 178.44 178.53 1pwq h LYS 37 N 1.08 0.00 -0.09 1.25 1.79 0.10 -2.73 116.57 117.96 1pwq h LYS 37 Ca 0.22 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.62 1pwq h LYS 37 Cb 0.39 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 1pwq h LYS 37 CO 0.00 0.22 -0.22 1.49 -1.08 0.00 0.00 179.45 179.86 1pwq h GLU 38 N 0.00 0.31 0.14 3.15 4.81 -1.05 -2.75 114.58 119.19 1pwq h GLU 38 Ca -0.00 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.01 1pwq h GLU 38 Cb 0.96 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.37 1pwq h GLU 38 CO 0.03 0.82 -0.07 0.82 -0.73 0.00 0.00 179.01 179.88 1pwq h ILE 39 N -0.15 1.01 -0.93 2.32 1.08 -1.26 -3.10 117.51 116.48 1pwq h ILE 39 Ca -0.00 -0.74 0.17 0.00 -0.39 0.00 0.00 64.86 63.90 1pwq h ILE 39 Cb 0.82 1.46 -0.08 0.00 -3.07 0.00 0.00 36.82 35.95 1pwq h ILE 39 CO 0.05 0.17 0.60 0.24 -0.69 0.00 0.00 178.15 178.52 1pwq h MET 40 N -0.54 0.63 -1.05 2.37 2.86 -1.59 0.31 114.93 117.92 1pwq h MET 40 Ca -0.02 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1pwq h MET 40 Cb 0.42 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.94 1pwq h MET 40 CO 0.03 0.42 0.00 1.17 1.06 0.00 0.00 176.91 179.59 1pwq n LYS 41 N -4.60 0.82 0.00 1.72 3.00 -1.04 0.14 118.16 118.20 1pwq n LYS 41 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.51 1pwq n LYS 41 Cb 0.56 -1.21 0.00 0.00 0.00 0.00 0.00 35.03 34.38 1pwq n LYS 41 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 1pwq n HIS 42 N 0.40 0.00 0.00 5.64 -0.00 0.98 -4.91 115.22 117.33 1pwq n HIS 42 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1pwq n HIS 42 Cb 0.33 0.05 0.00 0.00 -0.12 0.00 0.00 29.99 30.25 1pwq n HIS 42 CO 0.00 0.00 0.00 0.44 0.46 0.00 0.00 176.34 177.24 1pwq n ILE 43 N 0.00 0.00 -3.02 3.57 -5.35 -0.49 -5.01 119.36 109.06 1pwq n ILE 43 Ca 0.00 0.00 -0.44 0.00 -0.27 0.00 0.00 62.75 62.04 1pwq n ILE 43 Cb 0.27 -0.09 -0.04 0.00 -1.74 0.00 0.00 39.64 38.04 1pwq n ILE 43 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1pwq s VAL 44 N -1.10 4.66 -0.24 7.28 1.01 0.38 -0.94 120.40 131.45 1pwq s VAL 44 Ca 0.00 -0.82 -0.10 0.00 0.00 0.00 0.00 61.98 61.06 1pwq s VAL 44 Cb 0.00 -4.56 -0.05 0.00 0.00 0.00 0.00 36.38 31.77 1pwq s VAL 44 CO 0.00 -1.25 0.14 -0.54 0.00 0.00 0.00 175.10 173.45 1pwq s LYS 45 N 3.11 3.97 -1.33 2.72 1.02 -0.82 -4.59 119.74 123.82 1pwq s LYS 45 Ca 0.16 -0.32 -0.10 0.00 0.02 0.00 0.00 55.97 55.72 1pwq s LYS 45 Cb -0.21 -3.49 0.13 0.00 -0.52 0.00 0.00 37.83 33.74 1pwq s LYS 45 CO 0.07 0.00 2.01 -0.89 -0.92 0.00 0.00 175.35 175.62 1pwq n ILE 46 N 4.45 4.15 -1.98 2.17 2.08 -1.26 -2.72 119.36 126.25 1pwq n ILE 46 Ca -0.15 -4.01 -0.42 0.00 0.56 0.00 0.00 62.75 58.73 1pwq n ILE 46 Cb 0.52 -2.42 0.00 0.00 -0.75 0.00 0.00 39.64 36.99 1pwq n ILE 46 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 1pwq n GLU 47 N 4.34 2.97 0.00 0.38 0.00 -1.06 -4.90 120.64 122.38 1pwq n GLU 47 Ca 0.44 -2.82 0.00 0.00 0.00 0.00 0.00 57.16 54.79 1pwq n GLU 47 Cb 0.36 -3.33 0.00 0.00 0.00 0.00 0.00 31.44 28.48 1pwq n GLU 47 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 1pwq n VAL 48 N 5.36 0.00 0.00 6.31 0.24 -1.25 -4.23 118.33 124.76 1pwq n VAL 48 Ca 0.51 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.81 1pwq n VAL 48 Cb 0.41 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.78 1pwq n VAL 48 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1pwq n LYS 49 N 0.00 0.00 -3.91 7.34 4.76 -1.26 -4.80 118.16 120.29 1pwq n LYS 49 Ca 0.00 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.08 1pwq n LYS 49 Cb 0.00 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.13 1pwq n LYS 49 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1pwq s GLY 50 N 0.00 2.16 -1.00 0.72 0.00 -1.26 -4.62 107.32 103.32 1pwq s GLY 50 Ca 0.00 -0.69 -0.02 0.00 0.00 0.00 0.00 44.72 44.00 1pwq s GLY 50 CO 0.00 -0.49 0.85 -2.21 0.00 0.00 0.00 173.10 171.25 1pwq n GLU 51 N 1.59 -4.12 -1.54 2.90 4.07 -1.26 -4.84 120.64 117.44 1pwq n GLU 51 Ca -0.16 0.76 -0.30 0.00 -0.06 0.00 0.00 57.16 57.39 1pwq n GLU 51 Cb 0.54 -5.40 -0.07 0.00 -0.06 0.00 0.00 31.44 26.45 1pwq n GLU 51 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1pwq n GLU 52 N -3.43 0.70 0.00 5.31 2.13 -1.26 -4.27 120.64 119.82 1pwq n GLU 52 Ca -0.17 -0.22 0.00 0.00 0.66 0.00 0.00 57.16 57.43 1pwq n GLU 52 Cb 0.63 -3.07 0.00 0.00 0.27 0.00 0.00 31.44 29.27 1pwq n GLU 52 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1pwq n ALA 53 N 15.19 0.12 -0.26 4.31 0.00 -1.26 -4.96 120.51 133.65 1pwq n ALA 53 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1pwq n ALA 53 Cb 0.42 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.99 1pwq n ALA 53 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1pwq h VAL 54 N 0.00 0.93 -1.24 0.00 2.07 -1.99 -0.25 116.25 115.78 1pwq h VAL 54 Ca 0.00 -0.25 0.43 0.00 0.82 0.00 0.00 66.70 67.71 1pwq h VAL 54 Cb 0.00 0.15 -0.14 0.00 -1.52 0.00 0.00 31.29 29.78 1pwq h VAL 54 CO 0.00 0.13 0.77 0.11 0.02 0.00 0.00 177.57 178.60 1pwq h LYS 55 N 0.72 0.07 0.17 1.57 6.56 -1.84 0.95 116.57 124.76 1pwq h LYS 55 Ca 0.34 -0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.92 1pwq h LYS 55 Cb 0.27 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 31.91 1pwq h LYS 55 CO -0.22 0.04 -0.08 -0.22 -2.06 0.00 0.00 179.45 176.92 1pwq h LYS 56 N 0.07 -0.22 0.00 3.15 3.64 -1.41 -2.80 116.57 119.00 1pwq h LYS 56 Ca 0.84 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 60.23 1pwq h LYS 56 Cb 2.50 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 34.37 1pwq h LYS 56 CO -0.52 -0.15 0.55 1.49 -2.27 0.00 0.00 179.45 178.55 1pwq h GLU 57 N -0.50 0.00 0.18 1.90 4.81 -0.89 0.46 114.58 120.53 1pwq h GLU 57 Ca -0.02 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1pwq h GLU 57 Cb 0.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1pwq h GLU 57 CO 0.04 0.00 -0.09 0.00 -0.73 0.00 0.00 179.01 178.23 1pwq h ALA 58 N 0.85 -0.45 -0.90 2.92 0.00 0.88 -3.24 119.26 119.32 1pwq h ALA 58 Ca 0.00 -0.05 0.30 0.00 0.00 0.00 0.00 54.91 55.15 1pwq h ALA 58 Cb 1.10 0.09 -0.17 0.00 0.00 0.00 0.00 17.79 18.82 1pwq h ALA 58 CO 0.00 -0.43 0.20 0.00 0.00 0.00 0.00 179.25 179.02 1pwq n ALA 59 N -2.35 0.64 -0.16 0.00 0.00 0.13 -0.46 120.51 118.32 1pwq n ALA 59 Ca -0.03 0.95 0.00 0.00 0.00 0.00 0.00 53.44 54.36 1pwq n ALA 59 Cb 0.10 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1pwq n ALA 59 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1pwq n GLU 60 N -5.21 0.00 0.12 0.00 0.00 -1.11 0.21 120.64 114.64 1pwq n GLU 60 Ca 0.26 0.62 0.04 0.00 0.00 0.00 0.00 57.16 58.08 1pwq n GLU 60 Cb 0.87 -1.42 0.19 0.00 0.00 0.00 0.00 31.44 31.09 1pwq n GLU 60 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1pwq n LYS 61 N -2.14 0.05 -0.06 5.31 0.00 0.39 0.81 118.16 122.53 1pwq n LYS 61 Ca 0.00 0.45 -0.04 0.00 0.00 0.00 0.00 58.31 58.72 1pwq n LYS 61 Cb 0.00 -2.04 -0.01 0.00 0.00 0.00 0.00 35.03 32.98 1pwq n LYS 61 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1pwq n LEU 62 N -1.76 1.37 0.21 3.14 -0.00 0.94 -4.51 117.00 116.40 1pwq n LEU 62 Ca -0.00 0.45 0.08 0.00 -0.00 0.00 0.00 56.01 56.53 1pwq n LEU 62 Cb 0.38 -0.75 0.45 0.00 -0.00 0.00 0.00 43.42 43.51 1pwq n LEU 62 CO 0.03 -0.43 0.78 -0.07 -0.00 0.00 0.00 177.39 177.69 1pwq h LEU 63 N -0.74 0.00 -2.33 -1.96 3.38 0.33 -3.24 115.31 110.75 1pwq h LEU 63 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pwq h LEU 63 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1pwq h LEU 63 CO 0.00 0.28 0.20 -0.08 0.09 0.00 0.00 178.44 178.93 1pwq h GLU 64 N 0.00 0.00 0.00 1.13 4.57 0.26 -0.15 114.58 120.39 1pwq h GLU 64 Ca -0.00 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.05 1pwq h GLU 64 Cb 0.73 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.30 1pwq h GLU 64 CO 0.04 0.00 -0.63 0.87 -1.18 0.00 0.00 179.01 178.11 1pwq h LYS 65 N 0.00 0.00 -6.64 1.92 1.79 -1.80 -3.43 116.57 108.41 1pwq h LYS 65 Ca 0.00 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.94 1pwq h LYS 65 Cb 0.41 0.00 0.04 0.00 -1.58 0.00 0.00 32.23 31.10 1pwq h LYS 65 CO 0.00 0.63 0.77 0.08 -1.08 0.00 0.00 179.45 179.84 1pwq s VAL 66 N -3.59 2.93 -0.21 0.50 1.01 -0.07 -4.94 120.40 116.03 1pwq s VAL 66 Ca -0.01 0.71 -0.29 0.00 0.00 0.00 0.00 61.98 62.39 1pwq s VAL 66 Cb 0.13 -3.45 -0.01 0.00 0.00 0.00 0.00 36.38 33.04 1pwq s VAL 66 CO 0.76 0.08 1.37 -2.84 0.00 0.00 0.00 175.10 174.47 1pwq s PRO 67 N 0.54 4.05 0.10 2.72 0.02 -1.26 -4.89 135.00 136.28 1pwq s PRO 67 Ca 0.63 1.56 -0.03 0.00 0.02 0.00 0.00 61.00 63.18 1pwq s PRO 67 Cb -0.40 -3.87 0.15 0.00 0.02 0.00 0.00 34.50 30.41 1pwq s PRO 67 CO 0.35 -0.96 0.57 -1.13 -0.33 0.00 0.00 177.00 175.50 1pwq n SER 68 N 7.31 -0.15 0.19 2.53 3.41 -1.26 0.14 113.62 125.79 1pwq n SER 68 Ca 0.15 0.63 0.13 0.00 -0.26 0.00 0.00 58.87 59.52 1pwq n SER 68 Cb 0.45 -0.18 0.46 0.00 -0.26 0.00 0.00 64.21 64.68 1pwq n SER 68 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1pwq h ASP 69 N 0.00 0.00 0.85 4.04 5.19 -1.92 2.75 116.42 127.34 1pwq h ASP 69 Ca 0.17 0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 56.40 1pwq h ASP 69 Cb 0.26 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.74 1pwq h ASP 69 CO -0.37 0.00 -1.24 0.58 -3.12 0.00 0.00 179.24 175.08 1pwq h VAL 70 N 0.00 0.69 0.03 -1.35 2.07 0.88 -1.42 116.25 117.15 1pwq h VAL 70 Ca 0.12 -2.22 -0.26 0.00 0.82 0.00 0.00 66.70 65.17 1pwq h VAL 70 Cb 1.62 2.21 -0.03 0.00 -1.52 0.00 0.00 31.29 33.56 1pwq h VAL 70 CO -0.00 0.39 -1.34 -0.07 0.02 0.00 0.00 177.57 176.57 1pwq h LEU 71 N 0.00 0.10 -0.32 2.57 3.38 0.43 -0.97 115.31 120.50 1pwq h LEU 71 Ca -0.14 -0.14 -0.20 0.00 0.09 0.00 0.00 57.88 57.50 1pwq h LEU 71 Cb 1.61 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.33 1pwq h LEU 71 CO 0.06 1.11 -0.71 -0.08 0.09 0.00 0.00 178.44 178.91 1pwq h GLU 72 N 0.02 0.61 -0.17 1.13 4.57 0.72 -0.89 114.58 120.56 1pwq h GLU 72 Ca -0.15 -0.47 -0.18 0.00 -1.18 0.00 0.00 59.36 57.38 1pwq h GLU 72 Cb 1.91 0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 30.58 1pwq h GLU 72 CO 0.12 1.09 -0.63 0.52 -1.18 0.00 0.00 179.01 178.94 1pwq h MET 73 N 0.43 0.61 0.00 1.92 2.86 -1.31 -1.69 114.93 117.74 1pwq h MET 73 Ca -0.03 -0.42 -0.00 0.00 -2.06 0.00 0.00 59.70 57.18 1pwq h MET 73 Cb 1.31 0.07 -0.00 0.00 0.06 0.00 0.00 31.60 33.03 1pwq h MET 73 CO 0.14 1.04 -0.01 -0.92 1.06 0.00 0.00 176.91 178.22 1pwq h TYR 74 N 0.45 0.00 0.06 -0.22 3.20 -0.86 -1.40 116.97 118.20 1pwq h TYR 74 Ca -0.01 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.77 1pwq h TYR 74 Cb 1.20 0.00 0.01 0.00 1.54 0.00 0.00 36.73 39.48 1pwq h TYR 74 CO 0.06 0.01 -0.40 -0.22 -1.64 0.00 0.00 178.16 175.96 1pwq h LYS 75 N 0.00 0.16 -1.13 1.82 3.64 -0.27 0.61 116.57 121.40 1pwq h LYS 75 Ca -0.00 -0.26 0.32 0.00 -1.27 0.00 0.00 60.65 59.44 1pwq h LYS 75 Cb 0.04 0.09 -0.10 0.00 -0.41 0.00 0.00 32.23 31.85 1pwq h LYS 75 CO 0.00 1.10 0.73 0.00 -2.27 0.00 0.00 179.45 179.01 1pwq h ALA 76 N 0.07 2.42 -0.05 5.00 0.00 -0.66 7.92 119.26 133.98 1pwq h ALA 76 Ca -0.07 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pwq h ALA 76 Cb 1.29 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1pwq h ALA 76 CO 0.08 -0.89 0.00 -0.89 0.00 0.00 0.00 179.25 177.54 1pwq n ILE 77 N -4.62 0.05 -1.55 0.00 -0.00 -1.11 -4.90 119.36 107.23 1pwq n ILE 77 Ca 0.29 -0.19 -0.14 0.00 -0.00 0.00 0.00 62.75 62.71 1pwq n ILE 77 Cb 1.06 0.16 -0.05 0.00 -0.00 0.00 0.00 39.64 40.80 1pwq n ILE 77 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1pwq n GLY 78 N 1.08 1.19 3.72 7.39 0.00 2.54 -4.71 105.19 116.39 1pwq n GLY 78 Ca 0.19 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 1pwq n GLY 78 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pwq s GLY 79 N -2.77 1.53 -0.11 -0.02 0.00 0.21 -4.77 107.32 101.38 1pwq s GLY 79 Ca 0.00 1.44 -0.07 0.00 0.00 0.00 0.00 44.72 46.09 1pwq s GLY 79 CO 0.00 2.68 0.14 0.54 0.00 0.00 0.00 173.10 176.46 1pwq s LYS 80 N 0.99 3.44 -0.43 2.90 -0.14 -1.10 -4.62 119.74 120.79 1pwq s LYS 80 Ca 0.70 -0.13 -0.03 0.00 -1.36 0.00 0.00 55.97 55.15 1pwq s LYS 80 Cb -0.46 -3.19 0.12 0.00 -1.68 0.00 0.00 37.83 32.62 1pwq s LYS 80 CO 0.33 0.78 0.23 0.42 -0.76 0.00 0.00 175.35 176.35 1pwq s ILE 81 N -1.04 3.38 -0.12 2.17 1.01 -0.12 0.15 121.20 126.63 1pwq s ILE 81 Ca 0.16 -2.12 -0.10 0.00 0.00 0.00 0.00 60.65 58.59 1pwq s ILE 81 Cb -0.12 -3.30 -0.05 0.00 0.01 0.00 0.00 42.46 39.00 1pwq s ILE 81 CO 0.05 -0.71 0.20 -0.31 0.00 0.00 0.00 174.94 174.17 1pwq s TYR 82 N 1.05 3.56 -0.11 3.97 4.12 -0.23 -1.94 117.35 127.77 1pwq s TYR 82 Ca 0.09 0.57 0.03 0.00 0.02 0.00 0.00 57.07 57.78 1pwq s TYR 82 Cb -0.23 -2.10 -0.00 0.00 -1.52 0.00 0.00 41.96 38.11 1pwq s TYR 82 CO -0.04 0.56 -0.21 0.42 0.02 0.00 0.00 175.55 176.30 1pwq s ILE 83 N -0.54 2.32 0.13 2.71 -1.09 -1.10 -0.31 121.20 123.31 1pwq s ILE 83 Ca 0.15 -0.92 -0.23 0.00 -2.23 0.00 0.00 60.65 57.42 1pwq s ILE 83 Cb -0.13 -1.92 0.07 0.00 -1.58 0.00 0.00 42.46 38.90 1pwq s ILE 83 CO 0.04 0.55 0.58 0.54 -1.23 0.00 0.00 174.94 175.42 1pwq s VAL 84 N 0.42 0.01 0.44 2.92 0.11 -1.12 -2.56 120.40 120.61 1pwq s VAL 84 Ca -0.15 -0.07 0.07 0.00 -2.93 0.00 0.00 61.98 58.90 1pwq s VAL 84 Cb -0.17 -1.02 0.01 0.00 -1.53 0.00 0.00 36.38 33.68 1pwq s VAL 84 CO 0.07 -0.04 0.60 -0.62 -3.33 0.00 0.00 175.10 171.78 1pwq s ASP 85 N -2.59 5.60 0.21 3.54 2.15 -1.26 0.39 116.67 124.70 1pwq s ASP 85 Ca -0.00 -0.34 0.00 0.00 0.43 0.00 0.00 52.55 52.64 1pwq s ASP 85 Cb -0.01 -0.72 0.00 0.00 -0.30 0.00 0.00 42.92 41.90 1pwq s ASP 85 CO -0.11 -0.81 0.00 0.61 -0.17 0.00 0.00 175.17 174.69 1pwq n GLY 86 N -1.93 -0.27 3.70 2.66 0.00 -1.26 -4.71 105.19 103.38 1pwq n GLY 86 Ca 0.08 -1.05 -0.40 0.00 0.00 0.00 0.00 46.02 44.65 1pwq n GLY 86 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pwq s ASP 87 N -4.00 6.88 0.33 1.61 2.15 -1.26 -4.98 116.67 117.40 1pwq s ASP 87 Ca 0.00 1.06 0.11 0.00 0.43 0.00 0.00 52.55 54.15 1pwq s ASP 87 Cb 0.00 -2.38 0.56 0.00 -0.30 0.00 0.00 42.92 40.79 1pwq s ASP 87 CO 0.00 -0.15 1.74 0.16 -0.17 0.00 0.00 175.17 176.74 1pwq h ILE 88 N 4.87 1.33 0.00 4.11 3.07 -1.85 -3.11 117.51 125.93 1pwq h ILE 88 Ca -0.38 -1.59 0.00 0.00 1.55 0.00 0.00 64.86 64.44 1pwq h ILE 88 Cb 1.18 1.83 0.00 0.00 -0.27 0.00 0.00 36.82 39.56 1pwq h ILE 88 CO 0.76 0.46 0.03 0.41 -1.05 0.00 0.00 178.15 178.77 1pwq n THR 89 N -3.99 1.63 -0.62 0.16 -1.04 -1.26 -1.53 114.28 107.63 1pwq n THR 89 Ca -0.02 0.57 -0.05 0.00 -2.04 0.00 0.00 64.05 62.51 1pwq n THR 89 Cb 0.49 -1.57 0.25 0.00 -1.82 0.00 0.00 70.33 67.68 1pwq n THR 89 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1pwq n LYS 90 N -1.68 3.20 -3.72 -2.82 2.85 -1.18 -4.70 118.16 110.13 1pwq n LYS 90 Ca -0.00 -2.45 -0.36 0.00 -1.05 0.00 0.00 58.31 54.44 1pwq n LYS 90 Cb 0.04 -2.04 -0.06 0.00 -0.65 0.00 0.00 35.03 32.33 1pwq n LYS 90 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 1pwq s HIS 91 N -2.49 3.62 0.60 5.58 2.46 -0.58 -4.95 115.29 119.53 1pwq s HIS 91 Ca 0.44 0.68 0.31 0.00 0.47 0.00 0.00 55.06 56.97 1pwq s HIS 91 Cb 0.35 -2.06 1.89 0.00 -0.13 0.00 0.00 32.58 32.63 1pwq s HIS 91 CO 0.11 0.65 2.27 0.82 -2.47 0.00 0.00 174.74 176.12 1pwq h ILE 92 N 3.47 0.47 0.49 0.89 1.08 -1.90 -2.42 117.51 119.60 1pwq h ILE 92 Ca -0.52 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 63.93 1pwq h ILE 92 Cb 1.21 1.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.96 1pwq h ILE 92 CO 0.63 0.00 -0.24 -1.28 -0.69 0.00 0.00 178.15 176.57 1pwq h SER 93 N 0.00 -0.56 0.44 1.72 0.87 -1.93 -2.77 113.55 111.31 1pwq h SER 93 Ca 0.00 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1pwq h SER 93 Cb 0.01 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 1pwq h SER 93 CO -0.00 -0.35 0.00 0.18 -0.53 0.00 0.00 176.83 176.13 1pwq n LEU 94 N -5.35 0.00 -4.31 2.23 4.77 -0.93 -4.81 117.00 108.60 1pwq n LEU 94 Ca -0.12 0.27 -0.09 0.00 -0.03 0.00 0.00 56.01 56.05 1pwq n LEU 94 Cb 0.29 -0.27 -0.08 0.00 -2.33 0.00 0.00 43.42 41.03 1pwq n LEU 94 CO 0.36 -0.06 1.21 -0.62 -1.33 0.00 0.00 177.39 176.95 1pwq n GLU 95 N -1.27 0.09 -2.66 3.23 -0.58 -1.05 -4.06 120.64 114.34 1pwq n GLU 95 Ca 0.12 -0.61 -0.03 0.00 -0.42 0.00 0.00 57.16 56.22 1pwq n GLU 95 Cb 0.19 -2.18 0.04 0.00 -0.57 0.00 0.00 31.44 28.92 1pwq n GLU 95 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1pwq n ALA 96 N 10.88 -2.92 -2.70 0.62 0.00 -1.26 -5.11 120.51 120.02 1pwq n ALA 96 Ca 0.28 -0.35 -0.42 0.00 0.00 0.00 0.00 53.44 52.94 1pwq n ALA 96 Cb 0.43 -2.02 -0.03 0.00 0.00 0.00 0.00 19.45 17.82 1pwq n ALA 96 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1pwq s LEU 97 N -1.66 4.30 0.00 0.00 0.20 -1.26 -5.00 118.68 115.27 1pwq s LEU 97 Ca 0.10 1.53 0.00 0.00 0.69 0.00 0.00 54.13 56.45 1pwq s LEU 97 Cb 0.15 -3.50 0.00 0.00 -0.43 0.00 0.00 46.19 42.41 1pwq s LEU 97 CO -0.10 -0.34 0.00 -1.54 -0.29 0.00 0.00 176.35 174.08 1pwq n SER 98 N 4.46 0.00 0.01 3.68 3.41 -1.26 -5.12 113.62 118.80 1pwq n SER 98 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 1pwq n SER 98 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1pwq n SER 98 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1pwq n GLU 99 N 0.00 0.00 0.25 4.33 2.13 -1.26 -4.84 120.64 121.25 1pwq n GLU 99 Ca 0.00 0.00 0.13 0.00 0.66 0.00 0.00 57.16 57.95 1pwq n GLU 99 Cb 0.00 -0.32 0.60 0.00 0.27 0.00 0.00 31.44 31.99 1pwq n GLU 99 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 1pwq h ASP 100 N 0.00 0.00 -0.86 4.31 3.58 -2.00 -3.12 116.42 118.33 1pwq h ASP 100 Ca 0.00 0.00 -0.37 0.00 0.42 0.00 0.00 57.03 57.08 1pwq h ASP 100 Cb 0.59 0.00 -0.22 0.00 1.72 0.00 0.00 39.33 41.43 1pwq h ASP 100 CO 0.00 0.15 0.46 0.29 -2.88 0.00 0.00 179.24 177.25 1pwq n LYS 101 N -3.38 2.97 -0.03 0.28 5.02 -1.26 -4.15 118.16 117.61 1pwq n LYS 101 Ca -0.00 -3.06 -0.00 0.00 -2.02 0.00 0.00 58.31 53.22 1pwq n LYS 101 Cb 0.34 -2.19 -0.07 0.00 -0.02 0.00 0.00 35.03 33.09 1pwq n LYS 101 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1pwq n LYS 102 N -0.66 1.65 -2.01 1.97 4.81 -1.18 -4.74 118.16 117.99 1pwq n LYS 102 Ca 0.50 -0.04 -0.41 0.00 -0.87 0.00 0.00 58.31 57.50 1pwq n LYS 102 Cb 1.53 -1.21 -0.00 0.00 0.02 0.00 0.00 35.03 35.36 1pwq n LYS 102 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1pwq n LYS 103 N -2.10 4.27 -2.79 1.64 5.02 -1.26 -4.08 118.16 118.87 1pwq n LYS 103 Ca -0.08 -3.36 -0.39 0.00 -2.02 0.00 0.00 58.31 52.45 1pwq n LYS 103 Cb 0.54 -2.72 -0.06 0.00 -0.02 0.00 0.00 35.03 32.77 1pwq n LYS 103 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1pwq s ILE 104 N -0.46 4.14 -0.10 -0.18 1.10 -1.24 -4.95 121.20 119.51 1pwq s ILE 104 Ca 0.52 1.99 -0.02 0.00 -0.51 0.00 0.00 60.65 62.63 1pwq s ILE 104 Cb 0.16 -4.25 -0.03 0.00 0.15 0.00 0.00 42.46 38.49 1pwq s ILE 104 CO -0.07 0.44 -0.02 -0.54 -2.11 0.00 0.00 174.94 172.65 1pwq s LYS 105 N -1.33 3.09 0.64 3.50 3.01 -1.26 -2.56 119.74 124.83 1pwq s LYS 105 Ca 0.42 -0.45 -0.05 0.00 -1.01 0.00 0.00 55.97 54.88 1pwq s LYS 105 Cb -0.24 -2.79 0.04 0.00 -1.01 0.00 0.00 37.83 33.83 1pwq s LYS 105 CO 0.30 0.60 0.93 0.16 0.51 0.00 0.00 175.35 177.85 1pwq s ASP 106 N -0.62 5.12 0.41 2.83 1.47 -0.82 -4.92 116.67 120.14 1pwq s ASP 106 Ca 0.10 0.42 0.26 0.00 1.18 0.00 0.00 52.55 54.52 1pwq s ASP 106 Cb -0.12 -1.22 1.39 0.00 -0.34 0.00 0.00 42.92 42.64 1pwq s ASP 106 CO 0.02 -1.36 1.60 -0.29 0.68 0.00 0.00 175.17 175.82 1pwq h ILE 107 N -0.34 0.06 0.00 2.11 -0.00 -1.90 0.24 117.51 117.68 1pwq h ILE 107 Ca -0.44 -0.02 -0.01 0.00 -0.00 0.00 0.00 64.86 64.38 1pwq h ILE 107 Cb 1.30 0.00 -0.00 0.00 -0.00 0.00 0.00 36.82 38.12 1pwq h ILE 107 CO 0.59 0.01 -0.59 1.88 -0.00 0.00 0.00 178.15 180.04 1pwq h TYR 108 N 0.06 0.00 0.00 2.19 -1.99 -2.00 -3.48 116.97 111.75 1pwq h TYR 108 Ca 0.84 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.57 1pwq h TYR 108 Cb 2.47 0.00 0.00 0.00 2.00 0.00 0.00 36.73 41.20 1pwq h TYR 108 CO -0.01 0.06 0.00 0.41 -0.00 0.00 0.00 178.16 178.62 1pwq n GLY 109 N 1.16 1.68 3.72 3.88 0.00 0.86 -5.10 105.19 111.39 1pwq n GLY 109 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1pwq n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pwq s LYS 110 N -0.01 4.33 -0.19 1.61 1.02 -1.26 -4.69 119.74 120.55 1pwq s LYS 110 Ca 0.00 2.06 -0.23 0.00 0.02 0.00 0.00 55.97 57.82 1pwq s LYS 110 Cb 0.00 -3.25 -0.02 0.00 -0.52 0.00 0.00 37.83 34.04 1pwq s LYS 110 CO 0.00 -0.42 0.73 -0.51 -0.92 0.00 0.00 175.35 174.23 1pwq s ASP 111 N 1.06 6.82 0.06 2.83 -0.00 -1.26 -1.94 116.67 124.23 1pwq s ASP 111 Ca 0.64 1.00 -0.05 0.00 -0.00 0.00 0.00 52.55 54.14 1pwq s ASP 111 Cb -0.36 -2.40 -0.02 0.00 -0.00 0.00 0.00 42.92 40.14 1pwq s ASP 111 CO 0.31 -0.34 0.08 0.00 -0.00 0.00 0.00 175.17 175.21 1pwq s ALA 112 N 2.07 0.11 -0.13 5.23 0.00 -1.06 -5.03 121.76 122.96 1pwq s ALA 112 Ca 0.33 -0.83 -0.06 0.00 0.00 0.00 0.00 51.96 51.41 1pwq s ALA 112 Cb -0.16 0.34 -0.04 0.00 0.00 0.00 0.00 23.12 23.26 1pwq s ALA 112 CO 0.11 -0.40 0.07 -0.51 0.00 0.00 0.00 175.76 175.03 1pwq s LEU 113 N -2.68 3.96 0.27 0.00 1.43 -1.26 -3.61 118.68 116.79 1pwq s LEU 113 Ca 0.03 0.25 0.10 0.00 -1.03 0.00 0.00 54.13 53.48 1pwq s LEU 113 Cb 0.04 -1.96 0.86 0.00 0.03 0.00 0.00 46.19 45.16 1pwq s LEU 113 CO -0.09 0.33 1.22 0.18 0.23 0.00 0.00 176.35 178.22 1pwq n LEU 114 N 2.51 0.12 -0.06 1.79 4.77 -1.26 0.94 117.00 125.80 1pwq n LEU 114 Ca -0.18 1.30 -0.10 0.00 -0.03 0.00 0.00 56.01 56.99 1pwq n LEU 114 Cb 0.54 -0.56 -0.04 0.00 -2.33 0.00 0.00 43.42 41.02 1pwq n LEU 114 CO 0.31 -1.39 0.87 0.45 -1.33 0.00 0.00 177.39 176.31 1pwq h HIS 115 N 0.00 0.33 -0.14 -1.77 3.86 -1.94 0.59 115.15 116.08 1pwq h HIS 115 Ca 0.58 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.77 1pwq h HIS 115 Cb 1.42 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 29.79 1pwq h HIS 115 CO -0.17 0.35 0.00 -0.85 0.86 0.00 0.00 177.93 178.13 1pwq n GLU 116 N -4.82 1.34 -2.36 2.45 0.28 0.27 -4.84 120.64 112.95 1pwq n GLU 116 Ca -0.03 -0.52 -0.04 0.00 -0.16 0.00 0.00 57.16 56.40 1pwq n GLU 116 Cb 0.12 -1.12 -0.01 0.00 1.43 0.00 0.00 31.44 31.86 1pwq n GLU 116 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 1pwq n HIS 117 N -0.08 0.11 0.01 -1.84 -0.00 0.13 -4.80 115.22 108.75 1pwq n HIS 117 Ca 0.05 -0.36 0.00 0.00 0.46 0.00 0.00 57.72 57.87 1pwq n HIS 117 Cb 0.12 -0.03 0.00 0.00 -0.12 0.00 0.00 29.99 29.96 1pwq n HIS 117 CO 0.00 0.00 0.00 2.48 0.46 0.00 0.00 176.34 179.28 1pwq n TYR 118 N -0.16 -0.21 -3.57 1.57 4.11 -1.25 -4.79 117.16 112.86 1pwq n TYR 118 Ca -0.02 0.04 -0.37 0.00 -0.00 0.00 0.00 57.90 57.54 1pwq n TYR 118 Cb 0.09 0.36 -0.09 0.00 -0.00 0.00 0.00 39.34 39.70 1pwq n TYR 118 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 1pwq s VAL 119 N -2.00 5.31 -0.00 -3.48 0.11 -1.26 -4.04 120.40 115.04 1pwq s VAL 119 Ca 0.00 0.34 -0.01 0.00 -2.93 0.00 0.00 61.98 59.38 1pwq s VAL 119 Cb 0.00 -3.57 -0.00 0.00 -1.53 0.00 0.00 36.38 31.28 1pwq s VAL 119 CO 0.00 0.31 0.01 -0.47 -3.33 0.00 0.00 175.10 171.62 1pwq s TYR 120 N 1.18 0.04 -0.14 1.54 5.04 -1.03 -5.00 117.35 118.97 1pwq s TYR 120 Ca 0.11 -0.07 0.00 0.00 -2.44 0.00 0.00 57.07 54.67 1pwq s TYR 120 Cb -0.14 -0.03 -0.00 0.00 0.35 0.00 0.00 41.96 42.13 1pwq s TYR 120 CO 0.06 -0.05 -0.15 0.00 -1.34 0.00 0.00 175.55 174.06 1pwq s ALA 121 N -0.32 2.50 0.06 3.97 0.00 -1.26 0.12 121.76 126.82 1pwq s ALA 121 Ca -0.04 -1.00 -0.08 0.00 0.00 0.00 0.00 51.96 50.84 1pwq s ALA 121 Cb -0.02 -1.19 -0.05 0.00 0.00 0.00 0.00 23.12 21.86 1pwq s ALA 121 CO -0.00 0.06 0.35 0.21 0.00 0.00 0.00 175.76 176.38 1pwq s LYS 122 N 0.67 3.69 0.00 0.00 2.20 -0.60 -5.01 119.74 120.69 1pwq s LYS 122 Ca -0.08 0.07 0.00 0.00 -0.36 0.00 0.00 55.97 55.61 1pwq s LYS 122 Cb -0.16 -3.02 0.00 0.00 -1.51 0.00 0.00 37.83 33.14 1pwq s LYS 122 CO 0.02 0.59 0.00 -1.91 -0.36 0.00 0.00 175.35 173.69 1pwq n GLU 123 N 0.94 1.25 -0.85 4.03 2.13 -1.26 -4.10 120.64 122.79 1pwq n GLU 123 Ca -0.09 0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.85 1pwq n GLU 123 Cb 0.52 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.21 1pwq n GLU 123 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1pwq n GLY 124 N 4.62 -1.40 2.03 8.31 0.00 -1.26 -4.16 105.19 113.33 1pwq n GLY 124 Ca 0.00 -0.99 -0.25 0.00 0.00 0.00 0.00 46.02 44.78 1pwq n GLY 124 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1pwq n TYR 125 N -3.17 2.72 -3.11 1.61 4.02 -1.26 -4.28 117.16 113.69 1pwq n TYR 125 Ca 0.01 -2.41 -0.17 0.00 -0.01 0.00 0.00 57.90 55.32 1pwq n TYR 125 Cb 0.39 -0.71 -0.02 0.00 -0.02 0.00 0.00 39.34 38.98 1pwq n TYR 125 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 1pwq n GLU 126 N -0.82 0.99 -1.65 -0.72 4.07 -1.26 -5.10 120.64 116.14 1pwq n GLU 126 Ca 0.49 -3.26 -0.39 0.00 -0.06 0.00 0.00 57.16 53.93 1pwq n GLU 126 Cb 0.88 -1.62 0.04 0.00 -0.06 0.00 0.00 31.44 30.68 1pwq n GLU 126 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 1pwq n PRO 127 N 0.25 1.26 -3.60 5.31 -0.02 -1.26 -4.95 135.00 131.99 1pwq n PRO 127 Ca 0.22 0.47 -0.12 0.00 -2.02 0.00 0.00 63.50 62.05 1pwq n PRO 127 Cb 0.68 -2.25 -0.06 0.00 -0.02 0.00 0.00 33.50 31.85 1pwq n PRO 127 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1pwq s VAL 128 N -1.39 0.00 -0.15 -1.45 -7.23 -1.26 -2.69 120.40 106.24 1pwq s VAL 128 Ca 0.71 0.00 0.02 0.00 -1.81 0.00 0.00 61.98 60.90 1pwq s VAL 128 Cb -0.46 -1.00 0.01 0.00 0.56 0.00 0.00 36.38 35.50 1pwq s VAL 128 CO 0.51 0.00 -0.21 -0.22 -0.31 0.00 0.00 175.10 174.87 1pwq s LEU 129 N -0.28 2.08 -1.00 1.32 0.20 0.12 -1.56 118.68 119.56 1pwq s LEU 129 Ca -0.01 -0.60 -0.09 0.00 0.69 0.00 0.00 54.13 54.13 1pwq s LEU 129 Cb -0.03 -1.42 0.25 0.00 -0.43 0.00 0.00 46.19 44.56 1pwq s LEU 129 CO -0.01 0.06 0.97 -0.69 -0.29 0.00 0.00 176.35 176.39 1pwq s VAL 130 N 0.93 5.60 0.41 1.68 1.01 0.31 -1.07 120.40 129.28 1pwq s VAL 130 Ca -0.04 -3.28 -0.23 0.00 0.00 0.00 0.00 61.98 58.43 1pwq s VAL 130 Cb -0.15 -4.40 -0.09 0.00 0.00 0.00 0.00 36.38 31.74 1pwq s VAL 130 CO -0.04 -1.13 1.03 -0.63 0.00 0.00 0.00 175.10 174.33 1pwq s ILE 131 N -0.94 3.84 -0.22 2.22 -1.09 0.57 -2.47 121.20 123.10 1pwq s ILE 131 Ca 0.27 1.34 -0.11 0.00 -2.23 0.00 0.00 60.65 59.92 1pwq s ILE 131 Cb -0.10 -3.66 -0.05 0.00 -1.58 0.00 0.00 42.46 37.07 1pwq s ILE 131 CO -0.09 -0.06 0.18 -1.58 -1.23 0.00 0.00 174.94 172.16 1pwq s GLN 132 N -2.66 4.11 0.03 2.79 0.74 -1.26 -2.81 119.66 120.61 1pwq s GLN 132 Ca 0.59 -0.21 -0.33 0.00 0.05 0.00 0.00 55.36 55.46 1pwq s GLN 132 Cb -0.19 -3.51 -0.12 0.00 1.10 0.00 0.00 33.01 30.29 1pwq s GLN 132 CO 0.24 0.12 1.80 0.45 -0.55 0.00 0.00 175.29 177.36 1pwq n SER 133 N 4.09 3.55 -1.89 6.67 2.88 1.25 -4.71 113.62 125.47 1pwq n SER 133 Ca -0.15 1.00 -0.05 0.00 -1.33 0.00 0.00 58.87 58.34 1pwq n SER 133 Cb 0.52 -1.44 0.01 0.00 -0.75 0.00 0.00 64.21 62.55 1pwq n SER 133 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1pwq n SER 134 N 5.69 -1.01 0.00 -3.46 7.64 -1.26 -4.45 113.62 116.76 1pwq n SER 134 Ca 0.20 -1.81 0.00 0.00 1.01 0.00 0.00 58.87 58.27 1pwq n SER 134 Cb 0.32 1.72 0.00 0.00 -1.01 0.00 0.00 64.21 65.24 1pwq n SER 134 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1pwq n GLU 135 N -0.26 3.57 -2.30 1.43 1.02 -1.26 -4.72 120.64 118.11 1pwq n GLU 135 Ca -0.03 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.68 1pwq n GLU 135 Cb 0.29 -0.63 0.00 0.00 -0.02 0.00 0.00 31.44 31.08 1pwq n GLU 135 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1pwq n ASP 136 N -0.55 4.61 0.06 1.62 5.75 -1.26 -4.44 116.55 122.34 1pwq n ASP 136 Ca 0.00 -2.91 0.00 0.00 -0.01 0.00 0.00 54.79 51.87 1pwq n ASP 136 Cb 0.00 -1.68 0.00 0.00 -1.03 0.00 0.00 41.12 38.41 1pwq n ASP 136 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1pwq n TYR 137 N 6.96 -0.70 0.18 2.11 0.53 -1.26 -4.44 117.16 120.54 1pwq n TYR 137 Ca 0.48 0.12 -0.14 0.00 -1.02 0.00 0.00 57.90 57.34 1pwq n TYR 137 Cb 0.42 0.21 -0.07 0.00 -1.03 0.00 0.00 39.34 38.87 1pwq n TYR 137 CO 0.00 0.00 0.00 0.28 -1.02 0.00 0.00 176.86 176.12 1pwq h VAL 138 N 0.00 0.64 -0.27 -0.72 2.07 -1.95 -3.00 116.25 113.02 1pwq h VAL 138 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1pwq h VAL 138 Cb 0.18 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1pwq h VAL 138 CO 0.00 0.00 0.13 -0.08 0.02 0.00 0.00 177.57 177.64 1pwq h GLU 139 N -0.43 0.38 -5.09 1.57 4.57 -1.89 -3.39 114.58 110.29 1pwq h GLU 139 Ca -0.03 -0.06 -0.67 0.00 -1.18 0.00 0.00 59.36 57.42 1pwq h GLU 139 Cb 0.36 -0.07 -0.17 0.00 -0.16 0.00 0.00 28.75 28.71 1pwq h GLU 139 CO 0.03 0.37 -0.09 1.21 -1.18 0.00 0.00 179.01 179.36 1pwq s ASN 140 N -5.62 6.25 -0.13 1.04 3.04 -1.13 -4.96 114.94 113.43 1pwq s ASN 140 Ca -0.13 -0.45 -0.14 0.00 0.04 0.00 0.00 52.86 52.17 1pwq s ASN 140 Cb 0.08 -2.26 -0.12 0.00 -1.54 0.00 0.00 41.25 37.41 1pwq s ASN 140 CO 0.72 -0.61 0.32 0.71 -3.04 0.00 0.00 177.10 175.19 1pwq h THR 141 N 5.75 0.80 0.00 -5.21 1.35 -1.78 -3.33 112.91 110.49 1pwq h THR 141 Ca -0.26 -1.64 0.00 0.00 -0.55 0.00 0.00 66.41 63.96 1pwq h THR 141 Cb 1.11 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 69.08 1pwq h THR 141 CO 0.82 0.27 0.00 -0.62 -0.25 0.00 0.00 175.52 175.74 1pwq n GLU 142 N -4.67 0.00 -0.12 4.72 1.02 -1.26 0.24 120.64 120.56 1pwq n GLU 142 Ca -0.07 0.01 -0.27 0.00 -0.02 0.00 0.00 57.16 56.81 1pwq n GLU 142 Cb 0.27 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.08 1pwq n GLU 142 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1pwq n LYS 143 N -0.92 0.59 0.02 3.49 5.02 -1.25 -3.72 118.16 121.38 1pwq n LYS 143 Ca 0.00 0.34 -0.03 0.00 -2.02 0.00 0.00 58.31 56.61 1pwq n LYS 143 Cb 0.00 -1.57 0.22 0.00 -0.02 0.00 0.00 35.03 33.66 1pwq n LYS 143 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pwq h ALA 144 N -0.75 1.16 0.27 7.82 0.00 -0.99 -2.50 119.26 124.28 1pwq h ALA 144 Ca -0.59 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.00 1pwq h ALA 144 Cb 1.57 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 1pwq h ALA 144 CO -0.33 0.53 -0.39 1.25 0.00 0.00 0.00 179.25 180.31 1pwq h LEU 145 N 0.43 -1.13 -1.61 0.00 7.12 -0.40 0.16 115.31 119.88 1pwq h LEU 145 Ca 0.07 0.10 0.07 0.00 0.13 0.00 0.00 57.88 58.25 1pwq h LEU 145 Cb 0.60 0.39 -0.01 0.00 -0.53 0.00 0.00 40.66 41.11 1pwq h LEU 145 CO 0.04 -0.48 0.56 0.78 -0.13 0.00 0.00 178.44 179.21 1pwq h ASN 146 N -0.70 0.00 0.06 1.25 2.35 -1.56 0.88 115.58 117.86 1pwq h ASN 146 Ca -0.03 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1pwq h ASN 146 Cb 0.63 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.01 1pwq h ASN 146 CO -0.12 0.00 -0.03 0.58 -1.65 0.00 0.00 177.43 176.22 1pwq h VAL 147 N 0.00 1.01 0.00 2.81 2.07 -0.37 -3.06 116.25 118.70 1pwq h VAL 147 Ca 0.12 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 66.09 1pwq h VAL 147 Cb 1.24 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 1pwq h VAL 147 CO -0.00 0.31 0.00 -1.22 0.02 0.00 0.00 177.57 176.68 1pwq n TYR 148 N -4.77 0.00 0.10 1.57 0.53 0.19 0.70 117.16 115.48 1pwq n TYR 148 Ca -0.07 0.00 0.05 0.00 -1.02 0.00 0.00 57.90 56.86 1pwq n TYR 148 Cb 0.28 -0.45 -0.01 0.00 -1.03 0.00 0.00 39.34 38.14 1pwq n TYR 148 CO 0.00 0.00 0.00 -0.92 -1.02 0.00 0.00 176.86 174.92 1pwq h TYR 149 N 0.00 0.00 0.18 -0.72 3.20 -1.20 -2.38 116.97 116.04 1pwq h TYR 149 Ca 0.00 0.00 -0.34 0.00 3.14 0.00 0.00 58.73 61.53 1pwq h TYR 149 Cb 0.03 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.31 1pwq h TYR 149 CO 0.00 0.34 -1.70 1.49 -1.64 0.00 0.00 178.16 176.65 1pwq h GLU 150 N 0.00 0.39 0.00 1.82 4.57 0.37 -3.18 114.58 118.55 1pwq h GLU 150 Ca -0.06 -0.66 -0.06 0.00 -1.18 0.00 0.00 59.36 57.40 1pwq h GLU 150 Cb 1.32 0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 30.14 1pwq h GLU 150 CO 0.03 1.30 -0.28 0.82 -1.18 0.00 0.00 179.01 179.70 1pwq h ILE 151 N 0.11 1.01 -0.03 2.32 2.04 -1.22 -1.64 117.51 120.11 1pwq h ILE 151 Ca -0.32 -1.05 0.00 0.00 1.00 0.00 0.00 64.86 64.49 1pwq h ILE 151 Cb 2.10 1.60 0.00 0.00 -0.74 0.00 0.00 36.82 39.77 1pwq h ILE 151 CO 0.18 0.28 0.00 0.61 0.00 0.00 0.00 178.15 179.22 1pwq n GLY 152 N -0.48 -0.81 0.60 5.37 0.00 -0.90 -2.23 105.19 106.75 1pwq n GLY 152 Ca -0.02 -0.14 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 1pwq n GLY 152 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pwq n LYS 153 N -0.59 0.27 -0.34 1.61 4.76 -0.71 -3.62 118.16 119.54 1pwq n LYS 153 Ca 0.12 0.12 0.19 0.00 -2.87 0.00 0.00 58.31 55.88 1pwq n LYS 153 Cb 0.09 -0.96 0.41 0.00 -1.84 0.00 0.00 35.03 32.74 1pwq n LYS 153 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1pwq h ILE 154 N -0.46 0.44 0.25 -0.18 1.08 -1.35 -1.66 117.51 115.63 1pwq h ILE 154 Ca -0.30 -0.16 -0.01 0.00 -0.39 0.00 0.00 64.86 64.00 1pwq h ILE 154 Cb 1.22 -0.07 0.00 0.00 -3.07 0.00 0.00 36.82 34.90 1pwq h ILE 154 CO -0.18 0.09 -0.12 0.25 -0.69 0.00 0.00 178.15 177.49 1pwq h LEU 155 N 0.47 -0.28 -6.41 1.44 5.85 -1.66 -1.90 115.31 112.81 1pwq h LEU 155 Ca 0.67 -0.19 -0.78 0.00 0.84 0.00 0.00 57.88 58.41 1pwq h LEU 155 Cb 1.37 0.07 -0.29 0.00 0.37 0.00 0.00 40.66 42.18 1pwq h LEU 155 CO -0.53 0.06 0.73 -0.24 -0.34 0.00 0.00 178.44 178.11 1pwq n SER 156 N -5.10 6.61 0.00 1.25 2.88 -0.64 -0.88 113.62 117.73 1pwq n SER 156 Ca -0.09 -3.58 0.00 0.00 -1.33 0.00 0.00 58.87 53.87 1pwq n SER 156 Cb 0.24 -1.13 0.00 0.00 -0.75 0.00 0.00 64.21 62.57 1pwq n SER 156 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1pwq n ARG 157 N 0.47 0.00 -0.07 -1.46 0.63 -1.10 -4.74 116.66 110.39 1pwq n ARG 157 Ca 0.37 0.00 0.04 0.00 -0.92 0.00 0.00 57.85 57.34 1pwq n ARG 157 Cb 0.30 0.00 0.07 0.00 0.45 0.00 0.00 32.46 33.29 1pwq n ARG 157 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1pwq n ASP 158 N -1.19 2.33 0.00 6.15 9.92 -0.73 -4.32 116.55 128.71 1pwq n ASP 158 Ca 0.00 -2.36 0.00 0.00 -0.53 0.00 0.00 54.79 51.90 1pwq n ASP 158 Cb 0.00 -0.18 0.00 0.00 -0.64 0.00 0.00 41.12 40.30 1pwq n ASP 158 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1pwq n ILE 159 N -0.63 0.00 -0.11 0.53 2.08 -0.93 -4.90 119.36 115.39 1pwq n ILE 159 Ca 0.07 0.00 -0.14 0.00 0.56 0.00 0.00 62.75 63.24 1pwq n ILE 159 Cb 0.42 -0.01 -0.14 0.00 -0.75 0.00 0.00 39.64 39.16 1pwq n ILE 159 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1pwq n LEU 160 N -0.43 1.34 0.02 1.39 4.77 -0.06 -4.17 117.00 119.86 1pwq n LEU 160 Ca 0.00 -0.06 0.01 0.00 -0.03 0.00 0.00 56.01 55.93 1pwq n LEU 160 Cb 0.00 -0.14 0.07 0.00 -2.33 0.00 0.00 43.42 41.03 1pwq n LEU 160 CO 0.00 0.70 0.54 -1.54 -1.33 0.00 0.00 177.39 175.76 1pwq n SER 161 N -2.98 0.07 0.06 -1.43 3.41 -1.08 -0.60 113.62 111.06 1pwq n SER 161 Ca -0.39 0.52 -0.12 0.00 -0.26 0.00 0.00 58.87 58.62 1pwq n SER 161 Cb 1.08 -0.53 -0.13 0.00 -0.26 0.00 0.00 64.21 64.37 1pwq n SER 161 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1pwq h LYS 162 N 0.00 0.14 -0.49 4.33 1.79 -1.83 -3.30 116.57 117.21 1pwq h LYS 162 Ca 0.00 -0.23 -0.18 0.00 -2.18 0.00 0.00 60.65 58.05 1pwq h LYS 162 Cb 0.03 0.09 -0.11 0.00 -1.58 0.00 0.00 32.23 30.66 1pwq h LYS 162 CO 0.00 1.04 0.11 0.44 -1.08 0.00 0.00 179.45 179.95 1pwq n ILE 163 N -3.39 2.64 -2.87 1.86 -5.35 0.23 -4.95 119.36 107.53 1pwq n ILE 163 Ca -0.08 -2.19 -0.19 0.00 -0.27 0.00 0.00 62.75 60.01 1pwq n ILE 163 Cb 1.00 -0.33 0.01 0.00 -1.74 0.00 0.00 39.64 38.58 1pwq n ILE 163 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1pwq n ASN 164 N -0.78 -4.73 -4.41 7.28 3.02 -0.96 -4.94 115.26 109.75 1pwq n ASN 164 Ca 0.35 -0.14 -0.27 0.00 -0.03 0.00 0.00 54.58 54.49 1pwq n ASN 164 Cb 1.15 -3.91 -0.12 0.00 -0.61 0.00 0.00 39.78 36.29 1pwq n ASN 164 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1pwq s GLN 165 N -5.51 1.46 0.74 3.52 2.00 -0.76 -4.32 119.66 116.80 1pwq s GLN 165 Ca 0.20 -1.45 -0.11 0.00 -2.00 0.00 0.00 55.36 52.00 1pwq s GLN 165 Cb -0.10 -1.84 0.04 0.00 0.80 0.00 0.00 33.01 31.91 1pwq s GLN 165 CO 0.25 0.41 1.08 -1.25 -0.50 0.00 0.00 175.29 175.28 1pwq s PRO 166 N -2.43 2.54 0.00 1.67 0.04 -1.26 -2.64 135.00 132.91 1pwq s PRO 166 Ca 0.18 0.80 0.00 0.00 0.04 0.00 0.00 61.00 62.02 1pwq s PRO 166 Cb -0.09 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1pwq s PRO 166 CO 0.08 -1.34 0.00 0.98 0.04 0.00 0.00 177.00 176.76 1pwq n TYR 167 N -3.27 0.00 0.00 0.56 9.36 -1.26 -5.04 117.16 117.51 1pwq n TYR 167 Ca 0.07 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.29 1pwq n TYR 167 Cb 0.55 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.26 1pwq n TYR 167 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 1pwq n GLN 168 N 0.00 0.00 -0.18 2.98 -0.06 -1.26 -2.75 117.38 116.11 1pwq n GLN 168 Ca 0.00 0.34 0.16 0.00 -2.00 0.00 0.00 57.00 55.50 1pwq n GLN 168 Cb 0.00 -0.75 0.29 0.00 -4.06 0.00 0.00 30.24 25.71 1pwq n GLN 168 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 1pwq n LYS 169 N -0.76 -0.04 -0.01 3.69 4.81 -1.26 0.14 118.16 124.72 1pwq n LYS 169 Ca 0.00 0.78 -0.06 0.00 -0.87 0.00 0.00 58.31 58.16 1pwq n LYS 169 Cb 0.00 -1.36 0.12 0.00 0.02 0.00 0.00 35.03 33.81 1pwq n LYS 169 CO 0.00 0.00 0.00 0.35 1.17 0.00 0.00 177.40 178.92 1pwq h PHE 170 N 0.00 0.66 0.00 5.64 3.57 -1.93 -1.38 116.94 123.51 1pwq h PHE 170 Ca 0.44 -0.18 0.00 0.00 3.53 0.00 0.00 57.97 61.76 1pwq h PHE 170 Cb 1.12 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.71 1pwq h PHE 170 CO -0.07 0.85 0.00 1.28 -2.23 0.00 0.00 178.31 178.13 1pwq n LEU 171 N -4.05 0.00 0.08 0.59 4.77 0.36 -1.16 117.00 117.58 1pwq n LEU 171 Ca -0.01 0.37 0.04 0.00 -0.03 0.00 0.00 56.01 56.38 1pwq n LEU 171 Cb 0.49 -0.37 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 1pwq n LEU 171 CO 0.44 -0.15 -0.04 0.44 -1.33 0.00 0.00 177.39 176.75 1pwq h ASP 172 N 0.00 0.00 0.00 -1.43 3.32 -1.03 -1.83 116.42 115.44 1pwq h ASP 172 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1pwq h ASP 172 Cb 0.22 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 1pwq h ASP 172 CO 0.00 0.37 -0.10 0.58 -1.72 0.00 0.00 179.24 178.38 1pwq h VAL 173 N 0.00 0.77 -0.67 -1.35 2.07 -1.08 -2.86 116.25 113.12 1pwq h VAL 173 Ca -0.09 -1.60 0.14 0.00 0.82 0.00 0.00 66.70 65.97 1pwq h VAL 173 Cb 1.36 1.48 -0.04 0.00 -1.52 0.00 0.00 31.29 32.57 1pwq h VAL 173 CO 0.03 0.26 0.45 -0.07 0.02 0.00 0.00 177.57 178.27 1pwq h LEU 174 N -1.00 0.31 -0.45 2.57 3.38 -1.26 -0.86 115.31 117.99 1pwq h LEU 174 Ca -0.02 0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 1pwq h LEU 174 Cb 0.50 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1pwq h LEU 174 CO -0.01 0.17 -0.72 0.78 0.09 0.00 0.00 178.44 178.74 1pwq h ASN 175 N 0.33 0.37 0.47 -0.43 4.21 -1.41 -2.09 115.58 117.04 1pwq h ASN 175 Ca 0.32 -0.25 -0.02 0.00 1.21 0.00 0.00 56.30 57.56 1pwq h ASN 175 Cb 0.81 -0.11 0.00 0.00 -1.12 0.00 0.00 38.32 37.90 1pwq h ASN 175 CO -0.08 0.97 -0.22 0.74 -1.29 0.00 0.00 177.43 177.54 1pwq h THR 176 N 0.21 0.51 -0.22 2.81 2.02 -0.92 -2.07 112.91 115.25 1pwq h THR 176 Ca -0.03 -0.26 0.06 0.00 0.77 0.00 0.00 66.41 66.95 1pwq h THR 176 Cb 1.29 0.63 -0.06 0.00 -1.74 0.00 0.00 68.15 68.26 1pwq h THR 176 CO 0.12 0.04 -0.20 0.40 0.37 0.00 0.00 175.52 176.26 1pwq h ILE 177 N -0.79 0.48 -0.34 3.11 2.04 -1.54 1.93 117.51 122.40 1pwq h ILE 177 Ca -0.06 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.89 1pwq h ILE 177 Cb 0.55 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1pwq h ILE 177 CO 0.11 0.00 0.52 0.50 0.00 0.00 0.00 178.15 179.27 1pwq h LYS 178 N -0.20 0.00 0.00 2.37 3.64 -1.24 -2.53 116.57 118.60 1pwq h LYS 178 Ca 0.13 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.41 1pwq h LYS 178 Cb 0.40 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 1pwq h LYS 178 CO -0.34 0.00 -1.62 0.09 -2.27 0.00 0.00 179.45 175.31 1pwq n ASN 179 N -3.37 2.46 -4.22 4.20 3.02 0.18 -5.04 115.26 112.49 1pwq n ASN 179 Ca 0.06 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.27 1pwq n ASN 179 Cb 0.66 1.08 0.13 0.00 -0.61 0.00 0.00 39.78 41.04 1pwq n ASN 179 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pwq n ALA 180 N -2.16 -4.43 -0.36 5.41 0.00 0.60 -4.96 120.51 114.60 1pwq n ALA 180 Ca -0.10 -1.20 0.00 0.00 0.00 0.00 0.00 53.44 52.13 1pwq n ALA 180 Cb 0.60 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1pwq n ALA 180 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1pwq n SER 181 N -0.21 0.00 -4.67 0.00 7.64 -1.26 -4.73 113.62 110.39 1pwq n SER 181 Ca 0.01 0.52 -0.50 0.00 1.01 0.00 0.00 58.87 59.91 1pwq n SER 181 Cb 0.64 -0.32 -0.05 0.00 -1.01 0.00 0.00 64.21 63.47 1pwq n SER 181 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1pwq n ASP 182 N -1.46 3.23 0.00 6.43 4.64 -1.26 -4.81 116.55 123.32 1pwq n ASP 182 Ca 0.00 0.92 0.15 0.00 -1.38 0.00 0.00 54.79 54.48 1pwq n ASP 182 Cb 0.00 -1.34 0.87 0.00 -1.04 0.00 0.00 41.12 39.61 1pwq n ASP 182 CO 0.00 0.00 0.00 -1.54 -0.82 0.00 0.00 177.20 174.84 1pwq n SER 183 N 6.92 0.00 -0.16 1.67 3.41 -1.26 -3.77 113.62 120.43 1pwq n SER 183 Ca 0.25 -0.88 -0.03 0.00 -0.26 0.00 0.00 58.87 57.95 1pwq n SER 183 Cb 0.27 -0.02 0.04 0.00 -0.26 0.00 0.00 64.21 64.25 1pwq n SER 183 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1pwq h ASP 184 N 0.00 -0.39 -0.28 4.04 3.45 -1.87 0.81 116.42 122.18 1pwq h ASP 184 Ca 0.00 0.14 -0.07 0.00 0.43 0.00 0.00 57.03 57.53 1pwq h ASP 184 Cb 0.02 0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 39.06 1pwq h ASP 184 CO 0.00 -0.14 -0.11 1.23 -1.57 0.00 0.00 179.24 178.65 1pwq h GLY 185 N 0.03 0.61 0.39 2.75 0.00 -1.21 -2.79 103.07 102.85 1pwq h GLY 185 Ca 0.25 -0.53 0.02 0.00 0.00 0.00 0.00 47.33 47.07 1pwq h GLY 185 CO -0.49 0.48 -0.35 -1.61 0.00 0.00 0.00 176.54 174.58 1pwq h GLN 186 N 0.30 -0.55 0.00 4.80 4.15 -1.41 -3.15 115.11 119.25 1pwq h GLN 186 Ca 0.06 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.52 1pwq h GLN 186 Cb 0.61 0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.42 1pwq h GLN 186 CO 0.04 -0.37 0.00 -0.25 -1.93 0.00 0.00 178.83 176.32 1pwq n ASP 187 N -5.43 0.00 -0.15 -0.69 10.43 0.27 -1.66 116.55 119.32 1pwq n ASP 187 Ca -0.07 0.56 0.01 0.00 2.57 0.00 0.00 54.79 57.86 1pwq n ASP 187 Cb 0.34 -0.06 0.03 0.00 1.84 0.00 0.00 41.12 43.27 1pwq n ASP 187 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 1pwq n LEU 188 N -0.93 -0.21 -0.06 0.64 7.94 -1.06 -3.06 117.00 120.27 1pwq n LEU 188 Ca 0.00 0.68 -0.03 0.00 -1.11 0.00 0.00 56.01 55.56 1pwq n LEU 188 Cb 0.00 -0.18 -0.01 0.00 0.53 0.00 0.00 43.42 43.76 1pwq n LEU 188 CO 0.00 -0.63 -0.20 -0.07 -1.11 0.00 0.00 177.39 175.38 1pwq h LEU 189 N 0.00 0.00-10.10 -1.96 3.38 -1.56 -3.49 115.31 101.57 1pwq h LEU 189 Ca 0.16 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.58 1pwq h LEU 189 Cb 0.26 0.00 0.18 0.00 0.09 0.00 0.00 40.66 41.18 1pwq h LEU 189 CO -0.40 0.65 0.28 0.49 0.09 0.00 0.00 178.44 179.55 1pwq n PHE 190 N -4.67 1.17 -2.57 1.13 0.99 -0.67 -4.84 117.46 108.00 1pwq n PHE 190 Ca -0.04 0.40 -0.22 0.00 -0.00 0.00 0.00 57.45 57.59 1pwq n PHE 190 Cb 0.15 -2.12 0.12 0.00 -1.00 0.00 0.00 39.48 36.63 1pwq n PHE 190 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1pwq n THR 191 N -2.83 0.00 0.31 4.37 -2.24 -1.26 -4.86 114.28 107.76 1pwq n THR 191 Ca 0.14 -1.49 -0.13 0.00 -2.27 0.00 0.00 64.05 60.31 1pwq n THR 191 Cb 0.50 -0.94 -0.06 0.00 -2.10 0.00 0.00 70.33 67.73 1pwq n THR 191 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1pwq h ASN 192 N -0.62 -0.70 0.00 3.42 2.35 -1.98 -2.86 115.58 115.20 1pwq h ASN 192 Ca -0.32 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.45 1pwq h ASN 192 Cb 1.17 0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.72 1pwq h ASN 192 CO 0.34 -0.34 0.00 1.67 -1.65 0.00 0.00 177.43 177.44 1pwq n GLN 193 N -5.07 0.29 -0.06 0.81 0.00 -1.26 -1.92 117.38 110.17 1pwq n GLN 193 Ca -0.10 0.00 0.07 0.00 -0.00 0.00 0.00 57.00 56.97 1pwq n GLN 193 Cb 0.32 -1.11 0.10 0.00 0.00 0.00 0.00 30.24 29.55 1pwq n GLN 193 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 1pwq n LEU 194 N -0.61 2.45 0.00 1.69 7.94 -1.08 -4.47 117.00 122.92 1pwq n LEU 194 Ca 0.02 -1.28 0.00 0.00 -1.11 0.00 0.00 56.01 53.64 1pwq n LEU 194 Cb 0.01 -0.08 0.00 0.00 0.53 0.00 0.00 43.42 43.88 1pwq n LEU 194 CO 0.01 0.51 -0.38 2.29 -1.11 0.00 0.00 177.39 178.71 1pwq n LYS 195 N 0.79 2.33 0.25 1.96 2.85 -0.81 -4.75 118.16 120.78 1pwq n LYS 195 Ca 0.10 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 57.21 1pwq n LYS 195 Cb 0.39 -0.88 -0.08 0.00 -0.65 0.00 0.00 35.03 33.80 1pwq n LYS 195 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1pwq h GLU 196 N 0.00 -0.59 -1.42 -1.58 5.08 -1.80 -3.44 114.58 110.84 1pwq h GLU 196 Ca 0.00 0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.25 1pwq h GLU 196 Cb 0.42 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1pwq h GLU 196 CO 0.00 -0.32 0.45 1.58 -1.00 0.00 0.00 179.01 179.72 1pwq n HIS 197 N -5.30 0.19 0.00 4.33 -0.00 -1.26 -4.83 115.22 108.35 1pwq n HIS 197 Ca -0.11 0.13 0.00 0.00 0.46 0.00 0.00 57.72 58.20 1pwq n HIS 197 Cb 0.29 -0.64 0.00 0.00 -0.12 0.00 0.00 29.99 29.52 1pwq n HIS 197 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 1pwq n PRO 198 N 2.25 0.00 -2.97 1.57 -0.02 -1.26 -4.72 135.00 129.85 1pwq n PRO 198 Ca 0.17 0.91 -0.32 0.00 -2.02 0.00 0.00 63.50 62.24 1pwq n PRO 198 Cb 0.00 -1.48 -0.05 0.00 -0.02 0.00 0.00 33.50 31.95 1pwq n PRO 198 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1pwq s THR 199 N -2.93 4.65 0.85 3.45 -4.23 -1.26 -5.04 115.64 111.13 1pwq s THR 199 Ca 0.00 0.97 -0.17 0.00 -1.18 0.00 0.00 61.69 61.31 1pwq s THR 199 Cb 0.00 -3.64 -0.13 0.00 1.34 0.00 0.00 72.50 70.07 1pwq s THR 199 CO 0.00 -0.32 -0.45 0.47 -0.54 0.00 0.00 174.62 173.78 1pwq n ASP 200 N -0.71 -4.81 -4.75 3.99 9.92 -1.26 -4.91 116.55 114.02 1pwq n ASP 200 Ca 0.04 0.35 -0.40 0.00 -0.53 0.00 0.00 54.79 54.25 1pwq n ASP 200 Cb 0.54 -0.85 -0.05 0.00 -0.64 0.00 0.00 41.12 40.12 1pwq n ASP 200 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1pwq s PHE 201 N -2.02 3.76 0.16 1.24 0.40 -1.26 -5.01 117.98 115.25 1pwq s PHE 201 Ca 0.47 1.51 0.03 0.00 -0.60 0.00 0.00 56.93 58.35 1pwq s PHE 201 Cb -0.28 -2.82 -0.05 0.00 0.51 0.00 0.00 43.02 40.38 1pwq s PHE 201 CO 0.76 0.30 -0.06 -1.54 0.70 0.00 0.00 175.22 175.37 1pwq s SER 202 N -0.19 1.61 0.54 1.36 1.04 -1.26 -4.95 113.70 111.85 1pwq s SER 202 Ca 0.38 -1.07 0.10 0.00 0.48 0.00 0.00 55.95 55.85 1pwq s SER 202 Cb -0.21 0.03 0.35 0.00 0.10 0.00 0.00 66.02 66.29 1pwq s SER 202 CO 0.24 -0.42 0.97 0.55 0.98 0.00 0.00 173.24 175.56 1pwq n VAL 203 N -0.22 0.00 0.17 5.02 3.14 -1.26 0.17 118.33 125.35 1pwq n VAL 203 Ca -0.09 0.95 -0.10 0.00 -2.96 0.00 0.00 64.34 62.14 1pwq n VAL 203 Cb 0.62 -1.80 -0.06 0.00 -1.06 0.00 0.00 33.84 31.53 1pwq n VAL 203 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 1pwq h GLU 204 N 0.00 -0.47 -1.00 1.45 5.08 -1.99 -3.19 114.58 114.46 1pwq h GLU 204 Ca 0.19 0.03 0.34 0.00 -1.00 0.00 0.00 59.36 58.92 1pwq h GLU 204 Cb 2.07 0.11 -0.16 0.00 0.50 0.00 0.00 28.75 31.27 1pwq h GLU 204 CO -0.00 -0.19 0.55 0.35 -1.00 0.00 0.00 179.01 178.72 1pwq h PHE 205 N -1.03 0.90 0.00 4.33 3.04 0.14 0.47 116.94 124.79 1pwq h PHE 205 Ca -0.05 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.94 1pwq h PHE 205 Cb 0.50 -0.23 0.00 0.00 2.56 0.00 0.00 35.95 38.78 1pwq h PHE 205 CO 0.03 -0.24 0.00 -0.11 -2.02 0.00 0.00 178.31 175.97 1pwq n LEU 206 N -5.10 0.40 -0.07 0.59 -0.00 -1.10 -0.96 117.00 110.76 1pwq n LEU 206 Ca 0.33 0.64 -0.08 0.00 -0.00 0.00 0.00 56.01 56.90 1pwq n LEU 206 Cb 1.04 -0.64 -0.04 0.00 -0.00 0.00 0.00 43.42 43.77 1pwq n LEU 206 CO 0.08 -0.65 -0.21 -0.33 -0.00 0.00 0.00 177.39 176.28 1pwq h GLU 207 N 0.00 0.00 0.38 1.96 4.39 -0.14 -3.33 114.58 117.85 1pwq h GLU 207 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1pwq h GLU 207 Cb 0.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1pwq h GLU 207 CO 0.00 0.30 -0.18 1.96 -1.16 0.00 0.00 179.01 179.92 1pwq h GLN 208 N -1.00 -0.49 -3.32 2.33 1.08 -1.61 -3.36 115.11 108.73 1pwq h GLN 208 Ca -0.07 0.03 -0.75 0.00 -1.45 0.00 0.00 58.65 56.42 1pwq h GLN 208 Cb 0.58 0.11 -0.14 0.00 -0.05 0.00 0.00 27.48 27.99 1pwq h GLN 208 CO -0.04 -0.28 2.22 0.09 -0.95 0.00 0.00 178.83 179.87 1pwq n ASN 209 N -5.12 5.74 0.00 1.46 5.03 -0.13 -4.85 115.26 117.39 1pwq n ASN 209 Ca -0.07 -3.09 0.00 0.00 0.87 0.00 0.00 54.58 52.29 1pwq n ASN 209 Cb 0.23 -1.46 0.00 0.00 -1.02 0.00 0.00 39.78 37.52 1pwq n ASN 209 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1pwq n SER 210 N 3.52 0.00 0.00 6.41 3.41 -1.25 -4.07 113.62 121.64 1pwq n SER 210 Ca 0.46 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.07 1pwq n SER 210 Cb 0.34 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 1pwq n SER 210 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1pwq n ASN 211 N 0.00 0.00 -0.52 4.04 2.85 -1.26 0.18 115.26 120.55 1pwq n ASN 211 Ca 0.00 0.00 0.42 0.00 -0.11 0.00 0.00 54.58 54.89 1pwq n ASN 211 Cb 0.00 0.00 0.72 0.00 1.24 0.00 0.00 39.78 41.74 1pwq n ASN 211 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 1pwq h GLU 212 N 0.00 0.04 0.07 1.20 4.39 -1.97 2.02 114.58 120.33 1pwq h GLU 212 Ca 0.00 -0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.41 1pwq h GLU 212 Cb 0.00 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 1pwq h GLU 212 CO 0.00 0.03 -1.48 0.28 -1.16 0.00 0.00 179.01 176.68 1pwq h VAL 213 N 0.04 1.18 -0.23 3.13 2.07 0.18 -2.94 116.25 119.68 1pwq h VAL 213 Ca 0.85 -2.88 -0.12 0.00 0.82 0.00 0.00 66.70 65.37 1pwq h VAL 213 Cb 2.97 2.70 -0.01 0.00 -1.52 0.00 0.00 31.29 35.43 1pwq h VAL 213 CO -0.27 0.78 -0.37 1.56 0.02 0.00 0.00 177.57 179.30 1pwq h GLN 214 N 0.04 0.52 0.50 1.57 4.20 0.21 -2.08 115.11 120.07 1pwq h GLN 214 Ca -0.21 -0.25 -0.02 0.00 0.06 0.00 0.00 58.65 58.23 1pwq h GLN 214 Cb 1.97 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.75 1pwq h GLN 214 CO 0.14 0.81 -0.24 1.49 -0.67 0.00 0.00 178.83 180.36 1pwq h GLU 215 N 0.43 -0.65 -0.50 1.46 4.57 0.24 0.18 114.58 120.31 1pwq h GLU 215 Ca 0.04 0.04 0.10 0.00 -1.18 0.00 0.00 59.36 58.36 1pwq h GLU 215 Cb 0.85 0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 29.56 1pwq h GLU 215 CO 0.07 -0.41 0.34 0.28 -1.18 0.00 0.00 179.01 178.11 1pwq h VAL 216 N -0.72 0.88 -0.29 0.32 2.07 -1.42 0.82 116.25 117.90 1pwq h VAL 216 Ca -0.07 -0.09 -0.07 0.00 0.82 0.00 0.00 66.70 67.29 1pwq h VAL 216 Cb 0.54 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1pwq h VAL 216 CO 0.11 0.05 -0.10 0.15 0.02 0.00 0.00 177.57 177.80 1pwq h PHE 217 N 0.26 0.66 0.50 1.57 3.57 -0.65 -2.56 116.94 120.29 1pwq h PHE 217 Ca 0.23 -0.15 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 1pwq h PHE 217 Cb 0.57 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.16 1pwq h PHE 217 CO -0.00 0.80 -0.24 0.00 -2.23 0.00 0.00 178.31 176.64 1pwq h ALA 218 N 0.77 -0.67 0.03 2.41 0.00 0.16 -0.18 119.26 121.79 1pwq h ALA 218 Ca 0.07 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.82 1pwq h ALA 218 Cb 0.60 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 1pwq h ALA 218 CO 0.03 -0.79 -0.46 0.87 0.00 0.00 0.00 179.25 178.91 1pwq h LYS 219 N -0.84 -0.61 -0.01 0.00 1.57 -1.22 0.27 116.57 115.74 1pwq h LYS 219 Ca -0.07 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1pwq h LYS 219 Cb 0.58 0.14 -0.00 0.00 0.08 0.00 0.00 32.23 33.03 1pwq h LYS 219 CO 0.11 -0.41 0.03 0.00 -0.57 0.00 0.00 179.45 178.61 1pwq h ALA 220 N -0.20 1.16 0.15 3.86 0.00 -1.49 -2.07 119.26 120.66 1pwq h ALA 220 Ca 0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1pwq h ALA 220 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1pwq h ALA 220 CO -0.31 -0.03 -0.07 0.35 0.00 0.00 0.00 179.25 179.18 1pwq h PHE 221 N 0.00 -0.19 0.23 0.00 3.57 0.94 -2.88 116.94 118.61 1pwq h PHE 221 Ca 0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1pwq h PHE 221 Cb 0.05 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 1pwq h PHE 221 CO 0.00 0.26 -0.42 0.00 -2.23 0.00 0.00 178.31 175.91 1pwq h ALA 222 N -0.29 -0.99 -1.10 2.41 0.00 -0.65 0.37 119.26 119.01 1pwq h ALA 222 Ca -0.02 -0.12 0.40 0.00 0.00 0.00 0.00 54.91 55.17 1pwq h ALA 222 Cb 0.53 0.75 -0.16 0.00 0.00 0.00 0.00 17.79 18.91 1pwq h ALA 222 CO 0.03 -1.06 0.65 1.88 0.00 0.00 0.00 179.25 180.75 1pwq h TYR 223 N -0.70 0.76 0.05 0.00 -1.99 -1.54 0.69 116.97 114.24 1pwq h TYR 223 Ca -0.02 0.03 -0.25 0.00 2.00 0.00 0.00 58.73 60.49 1pwq h TYR 223 Cb 0.66 -0.18 0.01 0.00 2.00 0.00 0.00 36.73 39.21 1pwq h TYR 223 CO -0.34 -0.32 -1.05 -0.92 -0.00 0.00 0.00 178.16 175.53 1pwq h TYR 224 N 0.11 0.61 0.13 4.88 3.20 -0.59 -1.66 116.97 123.65 1pwq h TYR 224 Ca 0.81 -0.37 -0.28 0.00 3.14 0.00 0.00 58.73 62.04 1pwq h TYR 224 Cb 2.22 -0.06 0.01 0.00 1.54 0.00 0.00 36.73 40.44 1pwq h TYR 224 CO -0.01 1.21 -1.24 0.82 -1.64 0.00 0.00 178.16 177.31 1pwq h ILE 225 N 0.19 1.48 -2.97 1.81 1.08 0.40 -3.44 117.51 116.05 1pwq h ILE 225 Ca -0.10 -2.99 -0.53 0.00 -0.39 0.00 0.00 64.86 60.85 1pwq h ILE 225 Cb 1.72 2.91 0.03 0.00 -3.07 0.00 0.00 36.82 38.41 1pwq h ILE 225 CO 0.18 0.88 0.78 -0.70 -0.69 0.00 0.00 178.15 178.59 1pwq s GLU 226 N -2.70 4.28 0.02 2.37 -6.30 0.16 -4.96 118.70 111.57 1pwq s GLU 226 Ca -0.04 2.18 -0.11 0.00 -2.50 0.00 0.00 54.97 54.50 1pwq s GLU 226 Cb 0.07 -3.21 -0.06 0.00 0.00 0.00 0.00 34.13 30.93 1pwq s GLU 226 CO 0.89 -0.49 1.17 -1.35 0.02 0.00 0.00 175.26 175.50 1pwq h PRO 227 N 6.67 -0.35 -0.74 4.30 0.11 -1.85 -2.61 132.00 137.53 1pwq h PRO 227 Ca -0.43 0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.69 1pwq h PRO 227 Cb 1.21 0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.36 1pwq h PRO 227 CO 0.87 -0.23 0.39 1.96 -0.21 0.00 0.00 178.00 180.78 1pwq h GLN 228 N -0.36 1.03 -0.19 1.05 1.08 -1.92 -2.86 115.11 112.94 1pwq h GLN 228 Ca -0.03 -0.12 -0.11 0.00 -1.45 0.00 0.00 58.65 56.94 1pwq h GLN 228 Cb 0.29 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 1pwq h GLN 228 CO 0.03 0.77 -0.34 0.45 -0.95 0.00 0.00 178.83 178.80 1pwq h HIS 229 N 1.04 0.46 -0.90 2.96 3.86 -1.82 -3.16 115.15 117.59 1pwq h HIS 229 Ca 0.26 -0.11 0.25 0.00 -1.16 0.00 0.00 60.37 59.60 1pwq h HIS 229 Cb 0.06 -0.11 -0.14 0.00 1.06 0.00 0.00 27.41 28.28 1pwq h HIS 229 CO 0.01 0.69 0.29 -0.09 0.86 0.00 0.00 177.93 179.69 1pwq h ARG 230 N 0.34 0.22 -0.52 2.45 2.43 -0.89 0.58 114.38 118.99 1pwq h ARG 230 Ca 0.04 -0.01 0.15 0.00 -0.81 0.00 0.00 59.98 59.35 1pwq h ARG 230 Cb 0.76 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.24 1pwq h ARG 230 CO 0.06 0.15 0.55 -0.44 -1.51 0.00 0.00 179.97 178.77 1pwq h ASP 231 N 0.23 0.00 0.12 -3.80 3.45 -1.68 -1.86 116.42 112.87 1pwq h ASP 231 Ca 0.58 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 58.04 1pwq h ASP 231 Cb 1.20 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.97 1pwq h ASP 231 CO -0.65 0.00 -0.06 0.58 -1.57 0.00 0.00 179.24 177.55 1pwq h VAL 232 N 0.00 0.53 -0.73 -1.35 2.07 -0.04 -3.26 116.25 113.47 1pwq h VAL 232 Ca 0.25 -1.19 0.21 0.00 0.82 0.00 0.00 66.70 66.79 1pwq h VAL 232 Cb 1.34 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 32.03 1pwq h VAL 232 CO -0.00 0.16 0.74 0.25 0.02 0.00 0.00 177.57 178.74 1pwq h LEU 233 N -0.99 0.00 -0.34 2.57 6.46 -1.33 0.29 115.31 121.96 1pwq h LEU 233 Ca -0.02 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.74 1pwq h LEU 233 Cb 0.38 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.31 1pwq h LEU 233 CO 0.03 0.00 0.00 -0.61 -0.62 0.00 0.00 178.44 177.24 1pwq h GLN 234 N 0.00 0.00 0.00 1.25 4.15 -1.50 -3.10 115.11 115.91 1pwq h GLN 234 Ca 0.35 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.77 1pwq h GLN 234 Cb 1.83 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.52 1pwq h GLN 234 CO -0.00 0.00 -1.06 1.47 -1.93 0.00 0.00 178.83 177.30 1pwq n LEU 235 N -2.75 0.04 -0.07 -2.39 -0.00 0.97 -4.33 117.00 108.48 1pwq n LEU 235 Ca 0.04 -0.09 -0.08 0.00 -0.00 0.00 0.00 56.01 55.88 1pwq n LEU 235 Cb 0.42 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.75 1pwq n LEU 235 CO 0.30 0.01 -0.98 -1.22 -0.00 0.00 0.00 177.39 175.50 1pwq n TYR 236 N -1.58 0.00 -3.02 1.47 4.01 -1.01 -4.63 117.16 112.40 1pwq n TYR 236 Ca -0.01 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.48 1pwq n TYR 236 Cb 0.12 -0.67 -0.04 0.00 -0.31 0.00 0.00 39.34 38.44 1pwq n TYR 236 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1pwq n ALA 237 N -2.66 4.12 -0.08 -0.72 0.00 -1.18 -1.11 120.51 118.89 1pwq n ALA 237 Ca -0.25 -4.45 -0.13 0.00 0.00 0.00 0.00 53.44 48.61 1pwq n ALA 237 Cb 0.91 -0.78 -0.08 0.00 0.00 0.00 0.00 19.45 19.50 1pwq n ALA 237 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1pwq h PRO 238 N 3.07 -0.44 -0.05 0.00 0.11 -1.74 -0.47 132.00 132.48 1pwq h PRO 238 Ca 0.13 0.03 0.02 0.00 0.11 0.00 0.00 66.00 66.29 1pwq h PRO 238 Cb 0.60 0.10 -0.04 0.00 0.11 0.00 0.00 31.00 31.77 1pwq h PRO 238 CO 0.76 -0.29 -0.38 0.93 -0.21 0.00 0.00 178.00 178.81 1pwq h GLU 239 N -0.45 -0.42 -0.93 1.05 4.39 -1.92 0.14 114.58 116.44 1pwq h GLU 239 Ca 0.08 0.03 0.30 0.00 0.34 0.00 0.00 59.36 60.10 1pwq h GLU 239 Cb 0.63 0.10 -0.17 0.00 -0.10 0.00 0.00 28.75 29.20 1pwq h GLU 239 CO -0.52 -0.28 0.18 0.00 -1.16 0.00 0.00 179.01 177.23 1pwq n ALA 240 N -2.85 0.64 0.25 3.43 0.00 -0.92 0.20 120.51 121.24 1pwq n ALA 240 Ca -0.05 0.98 -0.16 0.00 0.00 0.00 0.00 53.44 54.22 1pwq n ALA 240 Cb 0.27 -0.80 -0.08 0.00 0.00 0.00 0.00 19.45 18.84 1pwq n ALA 240 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1pwq h PHE 241 N 0.00 -0.61 0.00 0.00 3.04 0.84 -1.76 116.94 118.45 1pwq h PHE 241 Ca 0.64 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.58 1pwq h PHE 241 Cb 1.47 0.21 0.00 0.00 2.56 0.00 0.00 35.95 40.19 1pwq h PHE 241 CO -0.32 -0.37 0.00 0.09 -2.02 0.00 0.00 178.31 175.69 1pwq n ASN 242 N -5.37 0.00 -0.10 0.41 5.03 0.52 -0.26 115.26 115.49 1pwq n ASN 242 Ca -0.11 0.45 -0.03 0.00 0.87 0.00 0.00 54.58 55.76 1pwq n ASN 242 Cb 0.27 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 39.01 1pwq n ASN 242 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1pwq n TYR 243 N -0.76 -0.11 0.00 3.10 4.19 -0.95 0.14 117.16 122.77 1pwq n TYR 243 Ca 0.00 0.30 0.00 0.00 3.31 0.00 0.00 57.90 61.51 1pwq n TYR 243 Cb 0.00 -0.42 0.00 0.00 0.49 0.00 0.00 39.34 39.41 1pwq n TYR 243 CO 0.00 0.00 0.00 -1.33 0.91 0.00 0.00 176.86 176.44 1pwq n MET 244 N -3.45 0.00 -0.09 2.98 2.81 -0.66 -0.77 117.12 117.93 1pwq n MET 244 Ca 0.00 0.25 -0.19 0.00 -1.81 0.00 0.00 57.70 55.96 1pwq n MET 244 Cb 0.06 -1.74 -0.07 0.00 -0.71 0.00 0.00 33.22 30.77 1pwq n MET 244 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1pwq n ASP 245 N -1.25 1.53 0.18 7.83 4.64 0.36 -4.02 116.55 125.83 1pwq n ASP 245 Ca 0.00 0.18 0.13 0.00 -1.38 0.00 0.00 54.79 53.72 1pwq n ASP 245 Cb 0.24 -0.52 0.65 0.00 -1.04 0.00 0.00 41.12 40.45 1pwq n ASP 245 CO 0.00 0.00 0.00 0.50 -0.82 0.00 0.00 177.20 176.88 1pwq h LYS 246 N -0.58 0.00 0.00 -0.67 3.64 0.10 -2.68 116.57 116.39 1pwq h LYS 246 Ca -0.47 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 58.79 1pwq h LYS 246 Cb 1.45 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.25 1pwq h LYS 246 CO -0.26 0.00 -0.73 0.35 -2.27 0.00 0.00 179.45 176.54 1pwq h PHE 247 N 0.00 0.00 0.00 1.91 3.57 -1.16 -3.21 116.94 118.05 1pwq h PHE 247 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1pwq h PHE 247 Cb 0.08 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.82 1pwq h PHE 247 CO 0.00 1.04 0.00 0.09 -2.23 0.00 0.00 178.31 177.21 1pwq n ASN 248 N -4.53 0.16 -2.45 0.41 3.02 -1.08 -1.81 115.26 108.98 1pwq n ASN 248 Ca -0.20 0.56 -0.15 0.00 -0.03 0.00 0.00 54.58 54.75 1pwq n ASN 248 Cb 0.52 -0.58 0.03 0.00 -0.61 0.00 0.00 39.78 39.13 1pwq n ASN 248 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1pwq n GLU 249 N -1.70 2.64 0.00 3.52 -0.58 -1.03 -4.82 120.64 118.66 1pwq n GLU 249 Ca 0.01 -3.89 0.00 0.00 -0.42 0.00 0.00 57.16 52.87 1pwq n GLU 249 Cb 0.10 -1.92 0.00 0.00 -0.57 0.00 0.00 31.44 29.05 1pwq n GLU 249 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1pwq n GLN 250 N -0.55 0.00 0.00 3.49 6.02 -0.97 -4.92 117.38 120.46 1pwq n GLN 250 Ca 0.26 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.25 1pwq n GLN 250 Cb 0.84 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.10 1pwq n GLN 250 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1pwq n GLU 251 N -0.58 0.72 0.04 -1.09 1.02 -0.94 -3.24 120.64 116.57 1pwq n GLU 251 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 1pwq n GLU 251 Cb 0.00 -1.09 -0.14 0.00 -0.02 0.00 0.00 31.44 30.20 1pwq n GLU 251 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1pwq h ILE 252 N 0.00 1.18 0.00 -3.67 6.09 -1.68 -2.95 117.51 116.48 1pwq h ILE 252 Ca 0.00 -2.89 0.00 0.00 -1.37 0.00 0.00 64.86 60.60 1pwq h ILE 252 Cb 0.09 2.68 0.00 0.00 0.47 0.00 0.00 36.82 40.06 1pwq h ILE 252 CO 0.00 0.77 0.00 -0.46 -3.07 0.00 0.00 178.15 175.39 1pwq n ASN 253 N -3.33 0.33 -0.03 2.19 0.23 -1.20 -2.30 115.26 111.15 1pwq n ASN 253 Ca -0.14 0.53 -0.21 0.00 -0.53 0.00 0.00 54.58 54.23 1pwq n ASN 253 Cb 1.02 -0.62 -0.13 0.00 -2.08 0.00 0.00 39.78 37.97 1pwq n ASN 253 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 1pwq h LEU 254 N 0.00 0.27 -1.60 -4.53 3.38 -1.74 -2.92 115.31 108.17 1pwq h LEU 254 Ca 0.00 -0.79 0.08 0.00 0.09 0.00 0.00 57.88 57.26 1pwq h LEU 254 Cb 0.59 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 1pwq h LEU 254 CO 0.00 1.61 0.39 0.28 0.09 0.00 0.00 178.44 180.81 1pwq h SER 255 N -0.44 0.42 0.54 -0.43 0.02 -1.49 0.60 113.55 112.76 1pwq h SER 255 Ca -0.33 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.60 1pwq h SER 255 Cb 1.66 -0.08 0.01 0.00 0.14 0.00 0.00 62.40 64.13 1pwq h SER 255 CO -0.01 0.27 -0.26 0.25 -1.14 0.00 0.00 176.83 175.93 1pwq h LEU 256 N 0.47 -0.62 -0.16 5.07 5.85 -1.56 -1.62 115.31 122.75 1pwq h LEU 256 Ca 0.26 0.02 0.01 0.00 0.84 0.00 0.00 57.88 59.01 1pwq h LEU 256 Cb 0.40 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 1pwq h LEU 256 CO -0.07 -0.35 -0.10 -0.08 -0.34 0.00 0.00 178.44 177.49 1pwq h GLU 257 N -0.91 -0.01 -0.95 1.25 4.57 -0.95 0.19 114.58 117.78 1pwq h GLU 257 Ca -0.07 0.00 0.12 0.00 -1.18 0.00 0.00 59.36 58.23 1pwq h GLU 257 Cb 0.56 0.00 -0.14 0.00 -0.16 0.00 0.00 28.75 29.01 1pwq h GLU 257 CO 0.12 -0.00 -0.44 -1.91 -1.18 0.00 0.00 179.01 175.60 1pwq n GLU 258 N -3.36 -0.29 -0.33 1.92 2.13 0.19 0.31 120.64 121.22 1pwq n GLU 258 Ca 0.00 1.45 0.21 0.00 0.66 0.00 0.00 57.16 59.47 1pwq n GLU 258 Cb 0.05 -2.14 0.47 0.00 0.27 0.00 0.00 31.44 30.08 1pwq n GLU 258 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1pwq h LEU 259 N 0.00 0.52 -1.07 4.31 5.85 0.29 0.63 115.31 125.85 1pwq h LEU 259 Ca 0.27 0.09 -0.04 0.00 0.84 0.00 0.00 57.88 59.04 1pwq h LEU 259 Cb 0.50 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 1pwq h LEU 259 CO -0.92 0.11 0.20 0.11 -0.34 0.00 0.00 178.44 177.61 1pwq h LYS 260 N 0.47 0.87 0.00 1.25 1.57 0.69 -2.03 116.57 119.39 1pwq h LYS 260 Ca 0.59 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 1pwq h LYS 260 Cb 1.37 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1pwq h LYS 260 CO -0.33 0.74 0.00 -3.47 -0.57 0.00 0.00 179.45 175.82 1pwq n ASP 261 N -4.30 0.00 -0.04 0.86 -0.08 0.22 -1.77 116.55 111.44 1pwq n ASP 261 Ca 0.05 -0.11 -0.11 0.00 -1.51 0.00 0.00 54.79 53.10 1pwq n ASP 261 Cb 0.19 -0.13 -0.14 0.00 2.34 0.00 0.00 41.12 43.37 1pwq n ASP 261 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1pwq n GLN 262 N -1.13 0.66 -2.31 -0.67 1.13 -0.76 -4.87 117.38 109.43 1pwq n GLN 262 Ca 0.06 0.23 -0.33 0.00 -1.94 0.00 0.00 57.00 55.02 1pwq n GLN 262 Cb 0.06 -1.72 -0.02 0.00 0.11 0.00 0.00 30.24 28.67 1pwq n GLN 262 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1pwq s ARG 263 N -2.57 3.61 0.00 -1.09 0.52 -0.73 -5.04 118.95 113.65 1pwq s ARG 263 Ca -0.09 1.25 0.00 0.00 -0.52 0.00 0.00 55.73 56.36 1pwq s ARG 263 Cb 0.07 -2.07 0.00 0.00 0.52 0.00 0.00 34.95 33.47 1pwq s ARG 263 CO 0.81 -0.58 0.00 -0.12 0.02 0.00 0.00 175.30 175.43 1pwq n MET 264 N -1.50 0.00 0.23 3.54 0.00 -1.26 -3.26 117.12 114.87 1pwq n MET 264 Ca 0.09 0.24 0.06 0.00 -0.00 0.00 0.00 57.70 58.08 1pwq n MET 264 Cb 0.53 -0.74 0.29 0.00 0.00 0.00 0.00 33.22 33.31 1pwq n MET 264 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 1pwq h LEU 265 N 0.00 0.00 -0.03 -0.89 -0.00 -1.96 1.60 115.31 114.03 1pwq h LEU 265 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 57.88 57.63 1pwq h LEU 265 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1pwq h LEU 265 CO 0.00 0.00 -1.09 -1.28 -0.00 0.00 0.00 178.44 176.07 1pwq h SER 266 N 0.00 0.50 -0.04 -0.43 0.87 -1.85 -2.53 113.55 110.06 1pwq h SER 266 Ca 0.00 -0.46 -0.14 0.00 -1.23 0.00 0.00 61.79 59.96 1pwq h SER 266 Cb 1.12 -0.16 0.01 0.00 -0.44 0.00 0.00 62.40 62.93 1pwq h SER 266 CO 0.00 1.30 -0.51 0.03 -0.53 0.00 0.00 176.83 177.11 1pwq h ARG 267 N 0.16 0.43 -0.16 2.24 3.08 0.23 -3.02 114.38 117.34 1pwq h ARG 267 Ca -0.11 -0.40 0.01 0.00 0.07 0.00 0.00 59.98 59.55 1pwq h ARG 267 Cb 1.77 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.91 1pwq h ARG 267 CO 0.18 1.05 0.11 -0.92 -1.07 0.00 0.00 179.97 179.32 1pwq h TYR 268 N -0.05 0.15 0.03 3.04 3.20 -1.39 -1.78 116.97 120.17 1pwq h TYR 268 Ca -0.05 0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.66 1pwq h TYR 268 Cb 1.20 -0.05 0.01 0.00 1.54 0.00 0.00 36.73 39.43 1pwq h TYR 268 CO 0.13 0.09 -0.65 1.49 -1.64 0.00 0.00 178.16 177.59 1pwq h GLU 269 N 0.16 0.39 -0.55 1.82 4.81 -1.46 -1.39 114.58 118.36 1pwq h GLU 269 Ca 0.06 -0.46 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 1pwq h GLU 269 Cb 0.06 0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 1pwq h GLU 269 CO -0.01 1.13 0.36 -0.22 -0.73 0.00 0.00 179.01 179.54 1pwq h LYS 270 N -0.14 0.72 0.27 1.92 3.64 -1.36 -2.10 116.57 119.53 1pwq h LYS 270 Ca -0.09 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.23 1pwq h LYS 270 Cb 1.38 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1pwq h LYS 270 CO 0.13 0.48 -0.13 2.35 -2.27 0.00 0.00 179.45 180.01 1pwq h TRP 271 N 0.74 -0.34 -0.66 1.91 2.91 -1.35 -3.08 115.95 116.09 1pwq h TRP 271 Ca 0.20 -0.01 0.16 0.00 1.13 0.00 0.00 58.89 60.38 1pwq h TRP 271 Cb -0.08 0.11 -0.03 0.00 -0.51 0.00 0.00 29.16 28.65 1pwq h TRP 271 CO 0.00 0.02 0.46 0.93 -1.03 0.00 0.00 178.44 178.82 1pwq h GLU 272 N -0.90 0.16 0.04 2.65 4.39 -1.06 0.13 114.58 119.99 1pwq h GLU 272 Ca -0.04 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 1pwq h GLU 272 Cb 0.51 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1pwq h GLU 272 CO 0.06 0.11 -0.02 0.87 -1.16 0.00 0.00 179.01 178.87 1pwq h LYS 273 N 0.17 -0.05 -0.66 2.33 1.79 -1.42 -1.54 116.57 117.18 1pwq h LYS 273 Ca 0.32 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.73 1pwq h LYS 273 Cb 1.02 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.66 1pwq h LYS 273 CO -0.05 0.39 0.18 0.82 -1.08 0.00 0.00 179.45 179.71 1pwq h ILE 274 N -0.51 1.25 -0.61 1.86 1.08 -1.28 0.22 117.51 119.52 1pwq h ILE 274 Ca -0.01 -0.89 -0.09 0.00 -0.39 0.00 0.00 64.86 63.48 1pwq h ILE 274 Cb 0.47 0.55 -0.02 0.00 -3.07 0.00 0.00 36.82 34.74 1pwq h ILE 274 CO 0.01 0.34 0.01 0.50 -0.69 0.00 0.00 178.15 178.32 1pwq h LYS 275 N 0.99 1.06 0.35 2.37 3.64 -0.79 -2.76 116.57 121.43 1pwq h LYS 275 Ca 0.21 -0.33 -0.02 0.00 -1.27 0.00 0.00 60.65 59.25 1pwq h LYS 275 Cb 0.32 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1pwq h LYS 275 CO -0.00 1.03 -0.17 0.37 -2.27 0.00 0.00 179.45 178.41 1pwq h GLN 276 N 0.97 -0.45 -0.48 1.90 4.15 -0.84 -1.12 115.11 119.24 1pwq h GLN 276 Ca 0.18 0.03 0.04 0.00 0.77 0.00 0.00 58.65 59.67 1pwq h GLN 276 Cb 0.54 0.10 -0.06 0.00 0.21 0.00 0.00 27.48 28.27 1pwq h GLN 276 CO 0.03 -0.13 -0.31 1.25 -1.93 0.00 0.00 178.83 177.74 1pwq h HIS 277 N -0.83 -0.99 0.00 3.99 2.76 -0.59 0.87 115.15 120.36 1pwq h HIS 277 Ca -0.05 0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1pwq h HIS 277 Cb 0.53 0.49 0.00 0.00 1.55 0.00 0.00 27.41 29.98 1pwq h HIS 277 CO 0.02 -0.20 0.00 0.66 -1.30 0.00 0.00 177.93 177.11 1pwq n TYR 278 N -4.17 0.00 0.28 5.26 4.02 -1.04 -3.84 117.16 117.66 1pwq n TYR 278 Ca 0.01 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 58.04 1pwq n TYR 278 Cb 0.14 0.00 0.69 0.00 -0.02 0.00 0.00 39.34 40.15 1pwq n TYR 278 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 176.86 176.22 1pwq h GLN 279 N 0.00 0.00 0.00 -0.72 5.75 0.21 -1.27 115.11 119.08 1pwq h GLN 279 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1pwq h GLN 279 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 1pwq h GLN 279 CO 0.00 0.00 -0.28 1.25 -2.65 0.00 0.00 178.83 177.15 1pwq h HIS 280 N 0.00 0.00 0.00 3.99 2.76 -1.76 -2.82 115.15 117.32 1pwq h HIS 280 Ca 0.05 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 1pwq h HIS 280 Cb 0.98 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.94 1pwq h HIS 280 CO 0.00 0.00 0.26 1.87 -1.30 0.00 0.00 177.93 178.76 1pwq n TRP 281 N -4.10 0.10 -0.05 5.26 -0.00 -1.05 0.20 117.44 117.80 1pwq n TRP 281 Ca -0.04 0.05 -0.22 0.00 -0.00 0.00 0.00 57.50 57.29 1pwq n TRP 281 Cb 0.15 -0.35 -0.13 0.00 -0.00 0.00 0.00 31.31 30.98 1pwq n TRP 281 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 177.69 178.12 1pwq n SER 282 N -1.45 2.02 -0.15 5.87 7.64 -0.51 -4.12 113.62 122.93 1pwq n SER 282 Ca -0.00 0.26 0.10 0.00 1.01 0.00 0.00 58.87 60.24 1pwq n SER 282 Cb 0.27 -0.87 0.51 0.00 -1.01 0.00 0.00 64.21 63.11 1pwq n SER 282 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1pwq n ASP 283 N -3.81 0.46 -2.40 6.43 8.00 0.13 -3.53 116.55 121.82 1pwq n ASP 283 Ca -0.34 -1.50 -0.27 0.00 0.71 0.00 0.00 54.79 53.39 1pwq n ASP 283 Cb 0.92 -0.03 0.01 0.00 -0.02 0.00 0.00 41.12 42.00 1pwq n ASP 283 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1pwq n SER 284 N -0.48 5.03 -4.23 -2.24 7.64 -0.50 -5.01 113.62 113.83 1pwq n SER 284 Ca 0.15 -3.74 -0.35 0.00 1.01 0.00 0.00 58.87 55.93 1pwq n SER 284 Cb 0.14 -0.49 -0.14 0.00 -1.01 0.00 0.00 64.21 62.71 1pwq n SER 284 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1pwq s LEU 285 N -3.60 3.57 1.14 -3.43 1.43 -1.23 -4.96 118.68 111.61 1pwq s LEU 285 Ca 0.49 -0.94 -0.13 0.00 -1.03 0.00 0.00 54.13 52.53 1pwq s LEU 285 Cb 0.41 -1.74 0.26 0.00 0.03 0.00 0.00 46.19 45.15 1pwq s LEU 285 CO -0.15 -0.18 0.99 -0.24 0.23 0.00 0.00 176.35 176.99 1pwq n SER 286 N 4.72 -1.50 0.06 2.29 2.88 -1.26 -4.80 113.62 116.01 1pwq n SER 286 Ca -0.15 -0.08 -0.05 0.00 -1.33 0.00 0.00 58.87 57.25 1pwq n SER 286 Cb 0.46 -1.28 0.13 0.00 -0.75 0.00 0.00 64.21 62.78 1pwq n SER 286 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1pwq h GLU 287 N -2.57 0.33 -0.59 -1.46 4.81 -2.00 -2.35 114.58 110.75 1pwq h GLU 287 Ca -0.59 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 58.42 1pwq h GLU 287 Cb 1.33 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.70 1pwq h GLU 287 CO 0.47 0.78 0.28 1.49 -0.73 0.00 0.00 179.01 181.30 1pwq h GLU 288 N 0.26 0.84 0.69 1.92 4.81 -1.98 -2.41 114.58 118.72 1pwq h GLU 288 Ca 0.01 -0.11 -0.03 0.00 -0.13 0.00 0.00 59.36 59.10 1pwq h GLU 288 Cb 1.01 -0.16 0.01 0.00 0.63 0.00 0.00 28.75 30.23 1pwq h GLU 288 CO 0.09 0.65 -0.33 0.78 -0.73 0.00 0.00 179.01 179.46 1pwq h GLY 289 N 0.93 -0.97 0.19 1.92 0.00 -1.76 -1.10 103.07 102.28 1pwq h GLY 289 Ca 0.21 0.36 0.19 0.00 0.00 0.00 0.00 47.33 48.09 1pwq h GLY 289 CO -0.03 -0.35 0.61 3.21 0.00 0.00 0.00 176.54 179.98 1pwq h ARG 290 N -0.96 0.67 -0.54 4.80 3.08 -1.52 0.15 114.38 120.05 1pwq h ARG 290 Ca -0.10 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 59.97 1pwq h ARG 290 Cb 0.71 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.58 1pwq h ARG 290 CO 0.16 0.44 0.36 0.78 -1.07 0.00 0.00 179.97 180.64 1pwq h GLY 291 N 0.69 0.65 0.13 0.04 0.00 -1.16 -0.40 103.07 103.03 1pwq h GLY 291 Ca 0.55 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.66 1pwq h GLY 291 CO -0.32 0.17 -0.06 1.41 0.00 0.00 0.00 176.54 177.74 1pwq h LEU 292 N 0.54 -0.15 -0.90 3.11 3.38 0.56 -3.00 115.31 118.85 1pwq h LEU 292 Ca 0.23 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1pwq h LEU 292 Cb 0.23 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1pwq h LEU 292 CO -0.06 0.11 0.65 -0.07 0.09 0.00 0.00 178.44 179.16 1pwq h LEU 293 N -0.61 0.00 0.06 1.67 3.38 -1.06 0.60 115.31 119.34 1pwq h LEU 293 Ca -0.02 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.60 1pwq h LEU 293 Cb 0.13 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1pwq h LEU 293 CO 0.03 0.00 -2.10 2.29 0.09 0.00 0.00 178.44 178.75 1pwq n LYS 294 N -2.57 0.70 0.00 1.13 2.85 -0.18 -3.29 118.16 116.80 1pwq n LYS 294 Ca -0.01 0.21 0.01 0.00 -1.05 0.00 0.00 58.31 57.47 1pwq n LYS 294 Cb 0.67 -1.66 0.04 0.00 -0.65 0.00 0.00 35.03 33.43 1pwq n LYS 294 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 1pwq n LYS 295 N -3.25 0.93 -0.13 -1.58 2.85 0.20 0.05 118.16 117.22 1pwq n LYS 295 Ca -0.32 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 56.65 1pwq n LYS 295 Cb 1.05 -1.02 -0.10 0.00 -0.65 0.00 0.00 35.03 34.31 1pwq n LYS 295 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1pwq n LEU 296 N -0.52 1.95 0.13 -5.58 7.94 -0.43 -4.34 117.00 116.15 1pwq n LEU 296 Ca 0.01 0.35 -0.02 0.00 -1.11 0.00 0.00 56.01 55.24 1pwq n LEU 296 Cb 0.00 -0.84 0.14 0.00 0.53 0.00 0.00 43.42 43.25 1pwq n LEU 296 CO 0.01 0.53 0.46 1.56 -1.11 0.00 0.00 177.39 178.83 1pwq h GLN 297 N -1.00 0.00 -5.07 1.96 4.20 -1.47 -3.43 115.11 110.29 1pwq h GLN 297 Ca -0.65 0.00 -0.66 0.00 0.06 0.00 0.00 58.65 57.40 1pwq h GLN 297 Cb 1.57 0.00 -0.27 0.00 0.30 0.00 0.00 27.48 29.07 1pwq h GLN 297 CO -0.39 0.66 -0.73 0.42 -0.67 0.00 0.00 178.83 178.11 1pwq s ILE 298 N -3.51 3.31 0.69 2.54 -1.09 0.11 -5.10 121.20 118.14 1pwq s ILE 298 Ca -0.01 -0.53 -0.11 0.00 -2.23 0.00 0.00 60.65 57.77 1pwq s ILE 298 Cb 0.12 -2.48 0.01 0.00 -1.58 0.00 0.00 42.46 38.53 1pwq s ILE 298 CO 0.77 0.45 1.06 -2.84 -1.23 0.00 0.00 174.94 173.15 1pwq s PRO 299 N 1.21 2.90 -0.74 2.79 0.02 -1.26 -4.34 135.00 135.57 1pwq s PRO 299 Ca 0.02 1.02 -0.10 0.00 0.02 0.00 0.00 61.00 61.96 1pwq s PRO 299 Cb -0.14 -1.98 0.19 0.00 0.02 0.00 0.00 34.50 32.59 1pwq s PRO 299 CO -0.02 -1.13 0.63 0.42 -0.33 0.00 0.00 177.00 176.57 1pwq s ILE 300 N -2.94 4.89 0.18 2.83 -1.09 -0.99 -4.89 121.20 119.19 1pwq s ILE 300 Ca 0.59 -2.59 -0.33 0.00 -2.23 0.00 0.00 60.65 56.09 1pwq s ILE 300 Cb -0.15 -4.08 -0.15 0.00 -1.58 0.00 0.00 42.46 36.51 1pwq s ILE 300 CO 0.53 -0.96 1.31 -0.62 -1.23 0.00 0.00 174.94 173.96 1pwq n GLU 301 N 3.87 1.54 -0.61 2.79 -0.58 -1.26 -2.89 120.64 123.50 1pwq n GLU 301 Ca 0.10 0.55 -0.31 0.00 -0.42 0.00 0.00 57.16 57.09 1pwq n GLU 301 Cb 0.43 -2.15 0.20 0.00 -0.57 0.00 0.00 31.44 29.35 1pwq n GLU 301 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1pwq n PRO 302 N 2.15 -1.54 -3.65 3.49 -0.04 -1.26 -4.97 135.00 129.17 1pwq n PRO 302 Ca 0.15 -0.42 -0.39 0.00 -0.04 0.00 0.00 63.50 62.80 1pwq n PRO 302 Cb 0.26 -2.04 -0.11 0.00 -0.04 0.00 0.00 33.50 31.57 1pwq n PRO 302 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1pwq s LYS 303 N -4.08 2.66 0.16 0.54 -0.14 -1.26 -4.99 119.74 112.63 1pwq s LYS 303 Ca 0.63 -1.27 -0.14 0.00 -1.36 0.00 0.00 55.97 53.84 1pwq s LYS 303 Cb -0.21 -3.66 0.16 0.00 -1.68 0.00 0.00 37.83 32.44 1pwq s LYS 303 CO 0.64 -0.79 1.13 0.36 -0.76 0.00 0.00 175.35 175.94 1pwq n LYS 304 N 4.90 -0.18 0.22 1.68 0.00 -1.26 0.87 118.16 124.39 1pwq n LYS 304 Ca -0.11 1.12 -0.15 0.00 -0.00 0.00 0.00 58.31 59.17 1pwq n LYS 304 Cb 0.44 -1.67 -0.08 0.00 -0.00 0.00 0.00 35.03 33.73 1pwq n LYS 304 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 1pwq h ASP 305 N 0.00 -0.43 0.00 -5.58 2.03 -1.99 -2.22 116.42 108.23 1pwq h ASP 305 Ca 0.24 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.52 1pwq h ASP 305 Cb 0.43 0.11 0.00 0.00 -0.83 0.00 0.00 39.33 39.04 1pwq h ASP 305 CO -0.72 -0.26 0.27 0.47 -1.03 0.00 0.00 179.24 177.97 1pwq n ASP 306 N -5.28 0.27 -0.73 4.15 8.00 0.25 0.31 116.55 123.52 1pwq n ASP 306 Ca -0.11 0.51 0.11 0.00 0.71 0.00 0.00 54.79 56.01 1pwq n ASP 306 Cb 0.23 -0.47 0.05 0.00 -0.02 0.00 0.00 41.12 40.91 1pwq n ASP 306 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1pwq n ILE 307 N -1.89 0.00 -0.08 0.53 2.08 -0.40 -4.11 119.36 115.49 1pwq n ILE 307 Ca -0.01 -0.38 -0.10 0.00 0.56 0.00 0.00 62.75 62.82 1pwq n ILE 307 Cb 0.28 1.38 -0.09 0.00 -0.75 0.00 0.00 39.64 40.46 1pwq n ILE 307 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 1pwq n ILE 308 N 0.67 0.97 -1.02 1.39 5.41 0.92 -4.60 119.36 123.09 1pwq n ILE 308 Ca 0.12 -0.46 -0.17 0.00 1.00 0.00 0.00 62.75 63.24 1pwq n ILE 308 Cb 0.53 -0.92 -0.13 0.00 -0.71 0.00 0.00 39.64 38.41 1pwq n ILE 308 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1pwq n HIS 309 N -2.80 0.50 0.00 1.39 8.25 0.16 -3.37 115.22 119.36 1pwq n HIS 309 Ca -0.27 -1.78 0.00 0.00 -0.26 0.00 0.00 57.72 55.41 1pwq n HIS 309 Cb 0.87 -1.74 0.00 0.00 1.12 0.00 0.00 29.99 30.24 1pwq n HIS 309 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1pwq n SER 310 N 2.76 0.00 -3.98 0.41 3.41 -1.26 -4.96 113.62 110.01 1pwq n SER 310 Ca 0.49 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.82 1pwq n SER 310 Cb 0.74 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.52 1pwq n SER 310 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1pwq s LEU 311 N 0.00 1.46 0.35 1.04 1.43 -1.22 -5.05 118.68 116.70 1pwq s LEU 311 Ca 0.00 -0.36 -0.28 0.00 -1.03 0.00 0.00 54.13 52.46 1pwq s LEU 311 Cb 0.00 -0.95 -0.12 0.00 0.03 0.00 0.00 46.19 45.15 1pwq s LEU 311 CO 0.00 -0.05 1.32 -1.54 0.23 0.00 0.00 176.35 176.30 1pwq n SER 312 N 4.57 2.89 -0.31 2.29 3.41 -1.26 -4.57 113.62 120.63 1pwq n SER 312 Ca -0.16 1.20 0.17 0.00 -0.26 0.00 0.00 58.87 59.82 1pwq n SER 312 Cb 0.51 -1.50 0.35 0.00 -0.26 0.00 0.00 64.21 63.30 1pwq n SER 312 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1pwq h GLN 313 N 2.56 0.15 0.00 4.33 1.08 -1.99 2.07 115.11 123.32 1pwq h GLN 313 Ca -0.47 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 56.72 1pwq h GLN 313 Cb 1.28 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.67 1pwq h GLN 313 CO 0.62 0.10 0.08 -1.91 -0.95 0.00 0.00 178.83 176.78 1pwq n GLU 314 N -5.26 0.00 -0.03 1.46 4.07 -1.26 -1.42 120.64 118.20 1pwq n GLU 314 Ca 0.25 0.16 -0.05 0.00 -0.06 0.00 0.00 57.16 57.46 1pwq n GLU 314 Cb 0.81 -1.58 -0.02 0.00 -0.06 0.00 0.00 31.44 30.58 1pwq n GLU 314 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1pwq n GLU 315 N -1.08 0.14 0.20 5.31 1.02 0.70 -3.85 120.64 123.07 1pwq n GLU 315 Ca 0.00 0.04 0.15 0.00 -0.02 0.00 0.00 57.16 57.33 1pwq n GLU 315 Cb 0.08 -0.94 0.77 0.00 -0.02 0.00 0.00 31.44 31.33 1pwq n GLU 315 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1pwq h LYS 316 N -0.10 0.00 0.14 3.49 1.57 -0.70 0.42 116.57 121.39 1pwq h LYS 316 Ca -0.14 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.32 1pwq h LYS 316 Cb 1.17 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.48 1pwq h LYS 316 CO -0.05 0.00 -1.59 0.93 -0.57 0.00 0.00 179.45 178.17 1pwq h GLU 317 N 0.00 0.29 0.00 3.15 4.39 -1.52 -3.24 114.58 117.66 1pwq h GLU 317 Ca 0.08 -0.50 0.00 0.00 0.34 0.00 0.00 59.36 59.28 1pwq h GLU 317 Cb 0.36 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1pwq h GLU 317 CO -0.00 1.17 0.00 1.25 -1.16 0.00 0.00 179.01 180.27 1pwq h LEU 318 N 0.08 0.00 -0.02 1.33 5.85 -1.32 -2.47 115.31 118.76 1pwq h LEU 318 Ca -0.27 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.42 1pwq h LEU 318 Cb 2.04 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 43.07 1pwq h LEU 318 CO 0.17 0.00 -0.14 0.25 -0.34 0.00 0.00 178.44 178.38 1pwq h LEU 319 N 0.00 0.00 0.10 2.25 5.85 -0.28 -3.13 115.31 120.10 1pwq h LEU 319 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1pwq h LEU 319 Cb 0.66 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.69 1pwq h LEU 319 CO 0.00 0.14 -0.05 0.11 -0.34 0.00 0.00 178.44 178.30 1pwq h LYS 320 N 0.00 -0.13 0.00 1.25 1.57 -1.46 -3.36 116.57 114.44 1pwq h LYS 320 Ca -0.00 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1pwq h LYS 320 Cb 1.10 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.43 1pwq h LYS 320 CO 0.02 0.18 -0.16 0.00 -0.57 0.00 0.00 179.45 178.93 1pwq h ARG 321 N -0.99 0.00 -6.66 3.15 3.08 -1.70 -3.46 114.38 107.80 1pwq h ARG 321 Ca -0.01 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.51 1pwq h ARG 321 Cb 0.37 0.00 0.05 0.00 0.08 0.00 0.00 29.97 30.47 1pwq h ARG 321 CO 0.02 0.16 0.81 -1.50 -1.07 0.00 0.00 179.97 178.39 1pwq s ILE 322 N -3.64 2.69 -0.48 2.04 2.07 -1.18 -4.99 121.20 117.71 1pwq s ILE 322 Ca 0.01 0.53 -0.16 0.00 -1.41 0.00 0.00 60.65 59.62 1pwq s ILE 322 Cb 0.10 -3.34 0.07 0.00 0.13 0.00 0.00 42.46 39.42 1pwq s ILE 322 CO 0.61 0.06 0.41 -1.58 -1.91 0.00 0.00 174.94 172.53 1pwq s GLN 323 N 0.47 2.99 0.00 3.50 -0.44 -1.26 -5.00 119.66 119.92 1pwq s GLN 323 Ca 0.65 -1.34 0.00 0.00 -2.50 0.00 0.00 55.36 52.17 1pwq s GLN 323 Cb -0.42 -4.14 0.00 0.00 -1.64 0.00 0.00 33.01 26.81 1pwq s GLN 323 CO 0.36 -1.05 0.48 -0.89 0.50 0.00 0.00 175.29 174.70 1pwq n ILE 324 N 5.22 0.00 -0.58 -2.34 5.41 -1.26 -4.23 119.36 121.58 1pwq n ILE 324 Ca -0.12 0.98 0.00 0.00 1.00 0.00 0.00 62.75 64.61 1pwq n ILE 324 Cb 0.44 -1.89 0.00 0.00 -0.71 0.00 0.00 39.64 37.47 1pwq n ILE 324 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1pwq n ASP 325 N -0.57 -0.83 0.00 4.38 8.00 -1.26 -2.65 116.55 123.63 1pwq n ASP 325 Ca 0.00 -0.52 0.00 0.00 0.71 0.00 0.00 54.79 54.98 1pwq n ASP 325 Cb 0.00 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 40.95 1pwq n ASP 325 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1pwq n SER 326 N 2.27 0.00 -4.62 -2.24 7.64 -1.26 -5.12 113.62 110.29 1pwq n SER 326 Ca 0.00 -0.23 -0.42 0.00 1.01 0.00 0.00 58.87 59.22 1pwq n SER 326 Cb 0.21 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.37 1pwq n SER 326 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1pwq s SER 327 N 0.00 6.74 -0.26 6.43 0.01 -1.08 -4.83 113.70 120.71 1pwq s SER 327 Ca 0.00 0.79 0.03 0.00 1.31 0.00 0.00 55.95 58.08 1pwq s SER 327 Cb 0.00 -2.44 0.42 0.00 0.21 0.00 0.00 66.02 64.21 1pwq s SER 327 CO 0.00 -0.66 1.52 -0.90 0.41 0.00 0.00 173.24 173.61 1pwq n ASP 328 N 6.32 3.50 -0.78 2.44 5.75 -1.26 -3.78 116.55 128.75 1pwq n ASP 328 Ca 0.06 -2.93 -0.03 0.00 -0.01 0.00 0.00 54.79 51.88 1pwq n ASP 328 Cb 0.48 -0.70 -0.03 0.00 -1.03 0.00 0.00 41.12 39.84 1pwq n ASP 328 CO 0.00 0.00 0.00 2.22 -0.11 0.00 0.00 177.20 179.31 1pwq n PHE 329 N -0.40 0.00 -4.89 2.11 -1.74 -1.26 -5.13 117.46 106.14 1pwq n PHE 329 Ca 0.34 -0.24 -0.27 0.00 -0.56 0.00 0.00 57.45 56.72 1pwq n PHE 329 Cb 1.17 0.31 -0.16 0.00 1.52 0.00 0.00 39.48 42.32 1pwq n PHE 329 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 1pwq s LEU 330 N 0.00 1.95 0.69 5.98 1.43 -1.25 -5.09 118.68 122.39 1pwq s LEU 330 Ca 0.02 -0.37 -0.15 0.00 -1.03 0.00 0.00 54.13 52.60 1pwq s LEU 330 Cb 0.03 -1.02 0.02 0.00 0.03 0.00 0.00 46.19 45.25 1pwq s LEU 330 CO -0.01 0.17 1.16 -0.55 0.23 0.00 0.00 176.35 177.34 1pwq s SER 331 N -0.03 4.68 0.03 2.29 0.15 -1.26 -4.79 113.70 114.77 1pwq s SER 331 Ca -0.03 2.17 -0.23 0.00 0.70 0.00 0.00 55.95 58.56 1pwq s SER 331 Cb -0.11 -2.57 -0.16 0.00 -1.71 0.00 0.00 66.02 61.46 1pwq s SER 331 CO 0.02 -1.93 1.42 0.71 1.20 0.00 0.00 173.24 174.67 1pwq h THR 332 N -0.10 1.28 0.00 6.45 1.35 -2.00 0.39 112.91 120.28 1pwq h THR 332 Ca -0.47 -0.87 0.00 0.00 -0.55 0.00 0.00 66.41 64.52 1pwq h THR 332 Cb 1.27 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 69.43 1pwq h THR 332 CO 0.52 0.24 0.00 -0.08 -0.25 0.00 0.00 175.52 175.95 1pwq h GLU 333 N -0.22 0.00 0.09 4.72 4.81 -2.00 -3.03 114.58 118.96 1pwq h GLU 333 Ca 0.02 0.00 -0.37 0.00 -0.13 0.00 0.00 59.36 58.87 1pwq h GLU 333 Cb 0.38 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 1pwq h GLU 333 CO 0.00 0.00 -2.14 0.39 -0.73 0.00 0.00 179.01 176.54 1pwq n GLU 334 N -2.30 0.73 0.18 1.92 1.02 -0.96 -3.98 120.64 117.25 1pwq n GLU 334 Ca 0.02 0.23 -0.14 0.00 -0.02 0.00 0.00 57.16 57.24 1pwq n GLU 334 Cb 0.22 -1.66 -0.08 0.00 -0.02 0.00 0.00 31.44 29.91 1pwq n GLU 334 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1pwq h LYS 335 N 0.05 -0.38 0.00 3.49 1.57 -0.18 -0.14 116.57 120.98 1pwq h LYS 335 Ca -0.47 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1pwq h LYS 335 Cb 2.00 0.09 0.00 0.00 0.08 0.00 0.00 32.23 34.39 1pwq h LYS 335 CO 0.04 -0.25 0.54 1.49 -0.57 0.00 0.00 179.45 180.69 1pwq h GLU 336 N -0.40 0.00 0.00 3.15 4.81 -1.72 0.22 114.58 120.65 1pwq h GLU 336 Ca -0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1pwq h GLU 336 Cb 0.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1pwq h GLU 336 CO 0.05 0.00 -0.21 0.35 -0.73 0.00 0.00 179.01 178.46 1pwq h PHE 337 N 0.00 0.00 -0.86 0.92 3.57 -1.16 -2.72 116.94 116.68 1pwq h PHE 337 Ca 0.00 0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.65 1pwq h PHE 337 Cb 1.08 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 39.72 1pwq h PHE 337 CO 0.00 0.00 0.45 -0.07 -2.23 0.00 0.00 178.31 176.46 1pwq h LEU 338 N -0.98 0.55 0.44 0.59 3.38 -0.64 0.35 115.31 119.00 1pwq h LEU 338 Ca 0.00 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1pwq h LEU 338 Cb 0.21 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1pwq h LEU 338 CO 0.00 0.22 -0.30 0.50 0.09 0.00 0.00 178.44 178.96 1pwq h LYS 339 N 0.63 -0.68 -1.05 1.13 3.64 -0.79 0.18 116.57 119.63 1pwq h LYS 339 Ca 0.47 0.05 0.30 0.00 -1.27 0.00 0.00 60.65 60.21 1pwq h LYS 339 Cb 0.68 0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.61 1pwq h LYS 339 CO -0.37 -0.45 0.76 -0.22 -2.27 0.00 0.00 179.45 176.90 1pwq h LYS 340 N -0.70 0.01 -0.02 1.90 3.64 -1.09 0.89 116.57 121.20 1pwq h LYS 340 Ca -0.06 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1pwq h LYS 340 Cb 0.57 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1pwq h LYS 340 CO 0.04 0.01 0.00 1.25 -2.27 0.00 0.00 179.45 178.48 1pwq h LEU 341 N 0.01 0.04 -0.97 5.20 6.46 0.60 -3.00 115.31 123.65 1pwq h LEU 341 Ca 0.50 -0.26 0.09 0.00 -0.12 0.00 0.00 57.88 58.10 1pwq h LEU 341 Cb 2.00 -0.01 -0.07 0.00 -0.73 0.00 0.00 40.66 41.85 1pwq h LEU 341 CO -0.01 0.29 0.61 -0.61 -0.62 0.00 0.00 178.44 178.09 1pwq h GLN 342 N -0.21 1.00 0.00 1.25 4.15 0.38 -1.19 115.11 120.49 1pwq h GLN 342 Ca 0.01 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.33 1pwq h GLN 342 Cb 0.26 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.72 1pwq h GLN 342 CO 0.00 0.66 -0.17 0.82 -1.93 0.00 0.00 178.83 178.21 1pwq h ILE 343 N 1.03 0.45 0.00 2.39 1.08 -1.12 -2.09 117.51 119.25 1pwq h ILE 343 Ca 0.45 -0.96 -0.00 0.00 -0.39 0.00 0.00 64.86 63.96 1pwq h ILE 343 Cb 0.32 1.68 -0.00 0.00 -3.07 0.00 0.00 36.82 35.76 1pwq h ILE 343 CO -0.22 0.17 -0.02 0.44 -0.69 0.00 0.00 178.15 177.83 1pwq h ASP 344 N 0.00 0.00 -0.23 1.72 5.19 -1.07 0.94 116.42 122.97 1pwq h ASP 344 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1pwq h ASP 344 Cb 0.67 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.18 1pwq h ASP 344 CO 0.02 0.02 0.00 -0.38 -3.12 0.00 0.00 179.24 175.78 1pwq n ILE 345 N -3.87 0.30 1.94 0.35 5.41 -0.79 -3.57 119.36 119.14 1pwq n ILE 345 Ca -0.03 -0.37 0.16 0.00 1.00 0.00 0.00 62.75 63.51 1pwq n ILE 345 Cb 0.11 0.27 0.93 0.00 -0.71 0.00 0.00 39.64 40.23 1pwq n ILE 345 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 1pwq n ARG 346 N 0.33 0.97 0.26 0.38 0.63 0.33 -3.95 116.66 115.59 1pwq n ARG 346 Ca 0.14 -0.02 0.15 0.00 -0.92 0.00 0.00 57.85 57.20 1pwq n ARG 346 Cb 0.29 -1.50 0.49 0.00 0.45 0.00 0.00 32.46 32.19 1pwq n ARG 346 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1pwq h ASP 347 N 0.05 0.00 0.00 6.15 5.19 -1.74 -3.52 116.42 122.54 1pwq h ASP 347 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1pwq h ASP 347 Cb 0.03 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.54 1pwq h ASP 347 CO 0.00 0.01 0.00 -1.54 -3.12 0.00 0.00 179.24 174.59 1pwq n SER 348 N -3.10 0.00 -0.10 6.45 3.41 -1.25 -5.22 113.62 113.80 1pwq n SER 348 Ca 0.02 0.25 -0.18 0.00 -0.26 0.00 0.00 58.87 58.70 1pwq n SER 348 Cb 0.39 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.25 1pwq n SER 348 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1pwq n SER 365 N -0.42 1.85 0.00 4.04 7.64 -1.26 -5.21 113.62 120.25 1pwq n SER 365 Ca 0.00 0.47 0.00 0.00 1.01 0.00 0.00 58.87 60.35 1pwq n SER 365 Cb 0.00 -0.94 0.00 0.00 -1.01 0.00 0.00 64.21 62.26 1pwq n SER 365 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1pwq n ASN 366 N -4.47 0.00 -3.54 6.43 6.94 -1.26 -5.02 115.26 114.34 1pwq n ASN 366 Ca -0.27 0.00 -0.13 0.00 -0.02 0.00 0.00 54.58 54.16 1pwq n ASN 366 Cb 0.60 0.00 0.12 0.00 -2.36 0.00 0.00 39.78 38.14 1pwq n ASN 366 CO 0.00 0.00 0.00 -2.65 -1.03 0.00 0.00 177.26 173.58 1pwq n PRO 367 N 0.00 -2.02 -2.56 -0.53 -0.02 -1.26 -5.04 135.00 123.57 1pwq n PRO 367 Ca 0.00 -0.60 -0.22 0.00 -2.02 0.00 0.00 63.50 60.66 1pwq n PRO 367 Cb 0.00 -1.38 0.11 0.00 -0.02 0.00 0.00 33.50 32.21 1pwq n PRO 367 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1pwq n LEU 368 N -0.61 0.00 -4.87 2.45 4.77 -1.26 -5.11 117.00 112.36 1pwq n LEU 368 Ca 0.06 -2.10 -0.37 0.00 -0.03 0.00 0.00 56.01 53.57 1pwq n LEU 368 Cb 0.25 -0.59 -0.06 0.00 -2.33 0.00 0.00 43.42 40.69 1pwq n LEU 368 CO 0.17 -0.93 -0.11 -0.94 -1.33 0.00 0.00 177.39 174.24 1pwq s SER 369 N -4.85 6.47 0.00 -1.43 1.04 -1.26 -4.95 113.70 108.73 1pwq s SER 369 Ca 0.63 0.57 0.00 0.00 0.48 0.00 0.00 55.95 57.63 1pwq s SER 369 Cb -0.04 -2.11 0.00 0.00 0.10 0.00 0.00 66.02 63.98 1pwq s SER 369 CO 0.42 0.39 0.03 -0.62 0.98 0.00 0.00 173.24 174.43 1pwq n GLU 370 N 1.97 0.00 -0.01 4.02 -0.58 -1.26 -0.42 120.64 124.36 1pwq n GLU 370 Ca -0.19 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.53 1pwq n GLU 370 Cb 0.54 -1.03 -0.01 0.00 -0.57 0.00 0.00 31.44 30.37 1pwq n GLU 370 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1pwq n LYS 371 N -0.47 0.07 -0.01 3.49 4.81 -1.26 -4.27 118.16 120.51 1pwq n LYS 371 Ca 0.00 0.02 0.15 0.00 -0.87 0.00 0.00 58.31 57.61 1pwq n LYS 371 Cb 0.00 -0.92 0.60 0.00 0.02 0.00 0.00 35.03 34.73 1pwq n LYS 371 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1pwq h GLU 372 N -0.03 0.18 0.17 1.64 5.08 -1.21 0.11 114.58 120.52 1pwq h GLU 372 Ca -0.07 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1pwq h GLU 372 Cb 1.09 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 1pwq h GLU 372 CO -0.02 0.12 -0.15 0.87 -1.00 0.00 0.00 179.01 178.83 1pwq h LYS 373 N 0.19 -0.33 0.61 2.33 1.57 -0.94 -2.90 116.57 117.10 1pwq h LYS 373 Ca 0.24 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 59.01 1pwq h LYS 373 Cb 0.70 0.08 0.01 0.00 0.08 0.00 0.00 32.23 33.09 1pwq h LYS 373 CO -0.04 -0.22 -0.29 1.49 -0.57 0.00 0.00 179.45 179.82 1pwq h GLU 374 N -0.34 -0.79 -0.83 3.15 4.81 -1.04 -3.16 114.58 116.38 1pwq h GLU 374 Ca -0.00 0.05 0.14 0.00 -0.13 0.00 0.00 59.36 59.43 1pwq h GLU 374 Cb 0.32 0.18 -0.15 0.00 0.63 0.00 0.00 28.75 29.73 1pwq h GLU 374 CO -0.03 -0.49 -0.32 0.35 -0.73 0.00 0.00 179.01 177.78 1pwq h PHE 375 N -0.92 -0.86 -1.00 0.92 3.57 -1.12 0.31 116.94 117.85 1pwq h PHE 375 Ca -0.08 0.09 0.07 0.00 3.53 0.00 0.00 57.97 61.57 1pwq h PHE 375 Cb 0.66 0.50 -0.07 0.00 2.79 0.00 0.00 35.95 39.83 1pwq h PHE 375 CO -0.01 -0.39 0.64 -0.07 -2.23 0.00 0.00 178.31 176.25 1pwq h LEU 376 N -0.05 1.02 -0.11 0.59 3.38 -1.53 -1.81 115.31 116.80 1pwq h LEU 376 Ca 0.33 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.36 1pwq h LEU 376 Cb 0.59 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.08 1pwq h LEU 376 CO -0.87 0.64 -0.26 0.11 0.09 0.00 0.00 178.44 178.16 1pwq h LYS 377 N 1.15 -0.32 -0.84 1.13 1.57 -0.90 -0.31 116.57 118.04 1pwq h LYS 377 Ca 0.43 0.02 0.11 0.00 -1.87 0.00 0.00 60.65 59.35 1pwq h LYS 377 Cb 0.19 0.07 -0.13 0.00 0.08 0.00 0.00 32.23 32.45 1pwq h LYS 377 CO -0.18 -0.22 -0.46 0.87 -0.57 0.00 0.00 179.45 178.89 1pwq h LYS 378 N -0.34 -0.08 0.24 3.15 1.57 -1.11 0.11 116.57 120.12 1pwq h LYS 378 Ca 0.09 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1pwq h LYS 378 Cb 0.47 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.78 1pwq h LYS 378 CO -0.30 -0.05 -0.40 -0.07 -0.57 0.00 0.00 179.45 178.06 1pwq h LEU 379 N -0.08 -1.15 -0.52 2.94 3.38 -1.26 -0.35 115.31 118.27 1pwq h LEU 379 Ca 0.23 0.11 0.08 0.00 0.09 0.00 0.00 57.88 58.39 1pwq h LEU 379 Cb 0.53 0.40 -0.09 0.00 0.09 0.00 0.00 40.66 41.60 1pwq h LEU 379 CO -0.87 -0.47 -0.20 1.17 0.09 0.00 0.00 178.44 178.17 1pwq n LYS 380 N -4.77 -0.11 0.51 1.13 0.00 0.04 0.17 118.16 115.13 1pwq n LYS 380 Ca -0.08 0.80 -0.20 0.00 0.00 0.00 0.00 58.31 58.84 1pwq n LYS 380 Cb 0.34 -1.19 -0.09 0.00 0.00 0.00 0.00 35.03 34.08 1pwq n LYS 380 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 1pwq h LEU 381 N 0.00 -1.09 -2.08 3.14 6.46 0.28 -3.08 115.31 118.95 1pwq h LEU 381 Ca 0.19 0.04 0.07 0.00 -0.12 0.00 0.00 57.88 58.06 1pwq h LEU 381 Cb 0.32 0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 40.52 1pwq h LEU 381 CO -0.52 -0.77 0.19 0.44 -0.62 0.00 0.00 178.44 177.16 1pwq h ASP 382 N -1.31 0.00 -0.74 1.25 3.32 0.34 -3.19 116.42 116.09 1pwq h ASP 382 Ca -0.13 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.43 1pwq h ASP 382 Cb 0.99 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.32 1pwq h ASP 382 CO 0.22 0.00 0.63 2.30 -1.72 0.00 0.00 179.24 180.66 1pwq n ILE 383 N -4.27 3.13 -4.70 0.35 -5.35 0.16 -4.93 119.36 103.76 1pwq n ILE 383 Ca 0.03 -2.17 -0.33 0.00 -0.27 0.00 0.00 62.75 60.00 1pwq n ILE 383 Cb 0.34 -1.15 -0.14 0.00 -1.74 0.00 0.00 39.64 36.95 1pwq n ILE 383 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1pwq s GLN 384 N -2.78 3.44 0.19 6.28 -1.52 -1.21 -4.87 119.66 119.19 1pwq s GLN 384 Ca 0.47 -0.65 -0.28 0.00 -1.95 0.00 0.00 55.36 52.95 1pwq s GLN 384 Cb 0.38 -2.69 -0.17 0.00 -0.22 0.00 0.00 33.01 30.30 1pwq s GLN 384 CO 0.01 0.23 0.53 -2.30 -0.25 0.00 0.00 175.29 173.51 1pwq n PRO 385 N 3.51 0.00 -2.70 2.91 -0.02 -1.26 -4.83 135.00 132.60 1pwq n PRO 385 Ca -0.18 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.88 1pwq n PRO 385 Cb 0.53 -1.01 -0.03 0.00 -0.02 0.00 0.00 33.50 32.96 1pwq n PRO 385 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1pwq s TYR 386 N -0.96 2.52 -0.26 6.00 5.04 -1.14 -4.85 117.35 123.70 1pwq s TYR 386 Ca 0.65 -0.42 0.01 0.00 -2.44 0.00 0.00 57.07 54.87 1pwq s TYR 386 Cb -0.94 -4.47 0.07 0.00 0.35 0.00 0.00 41.96 36.97 1pwq s TYR 386 CO 0.56 -1.85 -0.03 0.34 -1.34 0.00 0.00 175.55 173.23 1pwq s ASP 387 N 3.82 4.09 0.03 4.32 -1.08 -1.26 -2.34 116.67 124.25 1pwq s ASP 387 Ca 0.30 -1.40 -0.10 0.00 -0.52 0.00 0.00 52.55 50.84 1pwq s ASP 387 Cb -0.11 -1.26 -0.04 0.00 -1.46 0.00 0.00 42.92 40.05 1pwq s ASP 387 CO 0.09 -0.27 1.16 0.40 0.52 0.00 0.00 175.17 177.07 1pwq h ILE 388 N 6.66 0.00 -0.90 4.11 1.08 -1.85 0.12 117.51 126.73 1pwq h ILE 388 Ca -0.15 0.00 0.25 0.00 -0.39 0.00 0.00 64.86 64.56 1pwq h ILE 388 Cb 1.05 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 34.66 1pwq h ILE 388 CO 0.44 0.00 0.29 0.78 -0.69 0.00 0.00 178.15 178.97 1pwq h ASN 389 N -0.20 0.08 0.51 1.72 2.35 -1.94 1.70 115.58 119.79 1pwq h ASN 389 Ca 0.00 0.20 -0.01 0.00 -0.55 0.00 0.00 56.30 55.94 1pwq h ASN 389 Cb 0.21 0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.82 1pwq h ASN 389 CO -0.09 -0.15 -0.04 -0.61 -1.65 0.00 0.00 177.43 174.89 1pwq h GLN 390 N 0.23 0.00 0.00 0.81 5.75 -1.59 -1.07 115.11 119.25 1pwq h GLN 390 Ca 0.58 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 59.07 1pwq h GLN 390 Cb 1.19 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.74 1pwq h GLN 390 CO -0.65 0.04 -0.06 -0.09 -2.65 0.00 0.00 178.83 175.43 1pwq h ARG 391 N 0.00 0.00 -0.90 1.69 9.65 0.50 -2.76 114.38 122.56 1pwq h ARG 391 Ca -0.00 0.00 0.20 0.00 -1.10 0.00 0.00 59.98 59.08 1pwq h ARG 391 Cb 0.31 0.00 -0.12 0.00 -1.39 0.00 0.00 29.97 28.77 1pwq h ARG 391 CO 0.01 0.15 0.44 -0.07 2.80 0.00 0.00 179.97 183.29 1pwq h LEU 392 N -1.00 0.44 0.29 3.80 3.38 -0.90 -0.78 115.31 120.55 1pwq h LEU 392 Ca -0.01 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1pwq h LEU 392 Cb 0.20 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1pwq h LEU 392 CO -0.00 0.08 -0.14 -0.61 0.09 0.00 0.00 178.44 177.85 1pwq h GLN 393 N 0.49 -0.38 -1.14 1.13 4.15 -1.32 0.81 115.11 118.85 1pwq h GLN 393 Ca 0.55 0.03 0.33 0.00 0.77 0.00 0.00 58.65 60.32 1pwq h GLN 393 Cb 0.98 0.09 -0.05 0.00 0.21 0.00 0.00 27.48 28.70 1pwq h GLN 393 CO -0.47 -0.04 0.81 -0.44 -1.93 0.00 0.00 178.83 176.76 1pwq h ASP 394 N -0.88 0.04 0.00 -0.69 5.19 -1.11 -2.59 116.42 116.38 1pwq h ASP 394 Ca -0.04 0.01 -0.33 0.00 -0.62 0.00 0.00 57.03 56.05 1pwq h ASP 394 Cb 0.52 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.97 1pwq h ASP 394 CO 0.07 0.01 -2.25 0.35 -3.12 0.00 0.00 179.24 174.29 1pwq n THR 395 N -4.23 1.26 0.00 0.35 -2.24 -0.35 -2.42 114.28 106.65 1pwq n THR 395 Ca 0.25 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1pwq n THR 395 Cb 1.18 -1.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 1pwq n THR 395 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pwq n GLY 396 N 2.34 2.93 0.00 3.38 0.00 0.28 -4.14 105.19 109.98 1pwq n GLY 396 Ca -0.37 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1pwq n GLY 396 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pwq n GLY 397 N 0.00 0.04 2.22 -0.02 0.00 -1.25 -4.78 105.19 101.40 1pwq n GLY 397 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1pwq n GLY 397 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pwq n LEU 398 N 0.00 5.97 -0.10 0.99 7.99 -1.26 -4.55 117.00 126.05 1pwq n LEU 398 Ca 0.00 -3.33 0.26 0.00 -0.01 0.00 0.00 56.01 52.93 1pwq n LEU 398 Cb 0.00 -1.32 0.61 0.00 -0.11 0.00 0.00 43.42 42.60 1pwq n LEU 398 CO 0.00 1.51 1.24 0.16 -1.51 0.00 0.00 177.39 178.79 1pwq h ILE 399 N 2.60 0.18 -0.41 -0.08 3.07 -1.94 0.91 117.51 121.84 1pwq h ILE 399 Ca 0.44 0.00 -0.21 0.00 1.55 0.00 0.00 64.86 66.65 1pwq h ILE 399 Cb 0.81 0.31 -0.12 0.00 -0.27 0.00 0.00 36.82 37.55 1pwq h ILE 399 CO 0.93 0.00 0.26 0.47 -1.05 0.00 0.00 178.15 178.76 1pwq n ASP 400 N -3.52 3.30 -4.73 2.16 9.92 -1.26 -4.87 116.55 117.55 1pwq n ASP 400 Ca 0.17 -2.67 -0.41 0.00 -0.53 0.00 0.00 54.79 51.36 1pwq n ASP 400 Cb 1.13 -0.64 -0.05 0.00 -0.64 0.00 0.00 41.12 40.92 1pwq n ASP 400 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1pwq s SER 401 N 0.01 7.44 0.00 -2.24 0.01 0.31 -4.94 113.70 114.30 1pwq s SER 401 Ca 0.24 1.73 -0.01 0.00 1.31 0.00 0.00 55.95 59.22 1pwq s SER 401 Cb 0.20 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.83 1pwq s SER 401 CO 0.05 -0.03 1.63 -0.81 0.41 0.00 0.00 173.24 174.48 1pwq n PRO 402 N 2.70 0.82 -0.09 12.44 -0.04 -1.26 -4.30 135.00 145.28 1pwq n PRO 402 Ca 0.01 -0.16 0.10 0.00 -0.04 0.00 0.00 63.50 63.41 1pwq n PRO 402 Cb 0.49 -1.33 0.14 0.00 -0.04 0.00 0.00 33.50 32.76 1pwq n PRO 402 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1pwq n SER 403 N 1.91 2.98 -3.91 3.54 3.41 -1.26 -4.91 113.62 115.37 1pwq n SER 403 Ca 0.07 -1.90 -0.14 0.00 -0.26 0.00 0.00 58.87 56.64 1pwq n SER 403 Cb 0.40 -0.11 -0.09 0.00 -0.26 0.00 0.00 64.21 64.14 1pwq n SER 403 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1pwq s ILE 404 N -1.53 0.00 1.01 -1.33 -4.36 -1.26 -4.95 121.20 108.79 1pwq s ILE 404 Ca 0.29 -1.97 -0.11 0.00 -0.26 0.00 0.00 60.65 58.59 1pwq s ILE 404 Cb 0.19 -2.49 0.20 0.00 1.25 0.00 0.00 42.46 41.60 1pwq s ILE 404 CO 0.27 0.00 1.09 0.20 0.24 0.00 0.00 174.94 176.73 1pwq s ASN 405 N -3.22 2.21 -0.06 4.36 0.01 -1.26 -4.92 114.94 112.06 1pwq s ASN 405 Ca 0.39 1.81 -0.19 0.00 -0.71 0.00 0.00 52.86 54.15 1pwq s ASN 405 Cb 0.05 -2.40 -0.15 0.00 0.41 0.00 0.00 41.25 39.16 1pwq s ASN 405 CO 0.17 -3.48 0.77 0.25 -1.51 0.00 0.00 177.10 173.30 1pwq h LEU 406 N -2.13 -0.17 0.00 0.60 5.85 -2.00 -3.23 115.31 114.23 1pwq h LEU 406 Ca -0.52 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 57.85 1pwq h LEU 406 Cb 1.30 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.37 1pwq h LEU 406 CO 0.47 0.41 0.01 -0.90 -0.34 0.00 0.00 178.44 178.09 1pwq n ASP 407 N -4.90 0.00 -0.10 1.25 5.75 -1.26 -0.70 116.55 116.59 1pwq n ASP 407 Ca -0.07 0.08 -0.12 0.00 -0.01 0.00 0.00 54.79 54.67 1pwq n ASP 407 Cb 0.26 -0.08 -0.14 0.00 -1.03 0.00 0.00 41.12 40.12 1pwq n ASP 407 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1pwq n VAL 408 N -1.03 1.36 0.32 2.12 0.31 -1.23 -3.85 118.33 116.33 1pwq n VAL 408 Ca 0.00 -0.76 -0.13 0.00 -0.01 0.00 0.00 64.34 63.44 1pwq n VAL 408 Cb 0.01 -0.71 -0.06 0.00 -0.91 0.00 0.00 33.84 32.17 1pwq n VAL 408 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1pwq h ARG 409 N 0.00 -0.83 0.00 5.55 2.43 -0.93 -0.50 114.38 120.10 1pwq h ARG 409 Ca -0.54 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 1pwq h ARG 409 Cb 2.12 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 31.86 1pwq h ARG 409 CO 0.00 -0.55 0.16 0.87 -1.51 0.00 0.00 179.97 178.93 1pwq h LYS 410 N -1.18 0.00 0.17 0.20 1.57 -1.71 0.39 116.57 116.01 1pwq h LYS 410 Ca -0.09 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1pwq h LYS 410 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1pwq h LYS 410 CO 0.14 0.00 -0.08 0.37 -0.57 0.00 0.00 179.45 179.31 1pwq h GLN 411 N 0.00 -0.22 0.20 3.15 5.75 -1.56 -1.77 115.11 120.67 1pwq h GLN 411 Ca 0.00 0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.51 1pwq h GLN 411 Cb 0.31 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.90 1pwq h GLN 411 CO 0.00 0.15 -0.28 1.88 -2.65 0.00 0.00 178.83 177.93 1pwq h TYR 412 N -0.94 -0.79 -1.21 3.99 0.99 0.12 -1.05 116.97 118.08 1pwq h TYR 412 Ca -0.02 0.01 0.40 0.00 2.00 0.00 0.00 58.73 61.12 1pwq h TYR 412 Cb 0.47 0.32 -0.13 0.00 1.00 0.00 0.00 36.73 38.39 1pwq h TYR 412 CO 0.07 -0.35 0.75 -0.22 -0.00 0.00 0.00 178.16 178.41 1pwq h LYS 413 N -0.50 0.14 -0.11 4.88 3.64 -0.41 0.58 116.57 124.79 1pwq h LYS 413 Ca -0.02 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.29 1pwq h LYS 413 Cb 0.46 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1pwq h LYS 413 CO -0.08 0.09 -0.14 -0.09 -2.27 0.00 0.00 179.45 176.96 1pwq h ARG 414 N 0.15 0.29 0.00 1.90 2.43 -0.79 -2.65 114.38 115.71 1pwq h ARG 414 Ca 0.79 -0.17 -0.03 0.00 -0.81 0.00 0.00 59.98 59.76 1pwq h ARG 414 Cb 2.28 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 31.84 1pwq h ARG 414 CO -0.47 0.73 -0.14 -0.44 -1.51 0.00 0.00 179.97 178.14 1pwq h ASP 415 N -0.12 0.00 0.09 -3.80 3.32 0.12 -3.03 116.42 113.00 1pwq h ASP 415 Ca 0.01 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 1pwq h ASP 415 Cb 0.69 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.24 1pwq h ASP 415 CO 0.03 0.14 -0.04 0.40 -1.72 0.00 0.00 179.24 178.05 1pwq h ILE 416 N 0.00 0.00 -0.54 0.35 1.08 -0.26 -1.90 117.51 116.24 1pwq h ILE 416 Ca -0.00 -0.12 0.16 0.00 -0.39 0.00 0.00 64.86 64.50 1pwq h ILE 416 Cb 0.65 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.37 1pwq h ILE 416 CO 0.02 0.00 1.12 1.56 -0.69 0.00 0.00 178.15 180.16 1pwq h GLN 417 N -0.24 0.00 0.15 2.37 4.20 -1.51 0.56 115.11 120.64 1pwq h GLN 417 Ca -0.01 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.36 1pwq h GLN 417 Cb 0.09 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.87 1pwq h GLN 417 CO 0.02 0.00 -1.76 -0.91 -0.67 0.00 0.00 178.83 175.51 1pwq h ASN 418 N 0.00 0.49 -0.27 1.46 2.35 -1.45 -3.26 115.58 114.89 1pwq h ASN 418 Ca 0.26 -0.92 -0.07 0.00 -0.55 0.00 0.00 56.30 55.01 1pwq h ASN 418 Cb 2.49 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 40.69 1pwq h ASN 418 CO -0.00 1.78 -0.12 0.40 -1.65 0.00 0.00 177.43 177.84 1pwq h ILE 419 N -0.01 1.29 -0.01 2.81 2.04 0.93 -3.11 117.51 121.46 1pwq h ILE 419 Ca -0.36 -1.19 0.03 0.00 1.00 0.00 0.00 64.86 64.34 1pwq h ILE 419 Cb 1.99 1.49 -0.05 0.00 -0.74 0.00 0.00 36.82 39.51 1pwq h ILE 419 CO 0.12 0.38 -0.38 0.44 0.00 0.00 0.00 178.15 178.71 1pwq h ASP 420 N 0.31 -1.14 0.08 1.72 5.19 -1.46 -0.33 116.42 120.79 1pwq h ASP 420 Ca 0.06 0.14 0.00 0.00 -0.62 0.00 0.00 57.03 56.62 1pwq h ASP 420 Cb 0.62 0.45 0.00 0.00 0.18 0.00 0.00 39.33 40.58 1pwq h ASP 420 CO 0.04 -0.43 0.00 0.00 -3.12 0.00 0.00 179.24 175.73 1pwq n ALA 421 N -2.84 2.02 1.00 3.45 0.00 -1.23 -1.91 120.51 121.01 1pwq n ALA 421 Ca -0.05 -0.09 0.10 0.00 0.00 0.00 0.00 53.44 53.40 1pwq n ALA 421 Cb 0.35 -1.26 -0.06 0.00 0.00 0.00 0.00 19.45 18.49 1pwq n ALA 421 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1pwq n LEU 422 N -1.08 1.07 -3.97 0.00 7.94 -0.16 -4.49 117.00 116.31 1pwq n LEU 422 Ca 0.11 -0.47 -0.31 0.00 -1.11 0.00 0.00 56.01 54.22 1pwq n LEU 422 Cb 0.07 -0.03 -0.11 0.00 0.53 0.00 0.00 43.42 43.89 1pwq n LEU 422 CO 0.10 0.25 0.06 -0.76 -1.11 0.00 0.00 177.39 175.93 1pwq s LEU 423 N -2.93 5.01 -0.06 -1.96 1.43 -0.81 -4.82 118.68 114.54 1pwq s LEU 423 Ca 0.10 -3.71 0.09 0.00 -1.03 0.00 0.00 54.13 49.58 1pwq s LEU 423 Cb 0.16 -1.72 0.14 0.00 0.03 0.00 0.00 46.19 44.80 1pwq s LEU 423 CO 0.81 -0.13 1.03 0.00 0.23 0.00 0.00 176.35 178.28 1pwq n HIS 424 N 2.22 0.00 -3.53 0.29 1.44 -1.26 -4.57 115.22 109.81 1pwq n HIS 424 Ca 0.18 -0.63 -0.42 0.00 -2.01 0.00 0.00 57.72 54.84 1pwq n HIS 424 Cb 0.35 -0.09 -0.10 0.00 0.12 0.00 0.00 29.99 30.27 1pwq n HIS 424 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 1pwq s GLN 425 N -1.68 2.87 0.09 -1.40 -1.52 -1.26 -4.98 119.66 111.77 1pwq s GLN 425 Ca 0.15 -1.08 -0.35 0.00 -1.95 0.00 0.00 55.36 52.12 1pwq s GLN 425 Cb 0.13 -3.85 -0.15 0.00 -0.22 0.00 0.00 33.01 28.92 1pwq s GLN 425 CO 0.01 -0.75 1.53 -1.13 -0.25 0.00 0.00 175.29 174.71 1pwq n SER 426 N 5.07 2.55 -0.08 5.90 3.41 -1.25 -2.61 113.62 126.61 1pwq n SER 426 Ca -0.11 1.09 -0.07 0.00 -0.26 0.00 0.00 58.87 59.51 1pwq n SER 426 Cb 0.46 -1.32 -0.01 0.00 -0.26 0.00 0.00 64.21 63.09 1pwq n SER 426 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1pwq h ILE 427 N 3.77 0.73 -3.19 -1.33 6.09 0.95 -3.44 117.51 121.09 1pwq h ILE 427 Ca -0.46 -0.01 -0.51 0.00 -1.37 0.00 0.00 64.86 62.51 1pwq h ILE 427 Cb 1.29 0.71 0.22 0.00 0.47 0.00 0.00 36.82 39.50 1pwq h ILE 427 CO 0.86 0.00 -0.65 0.61 -3.07 0.00 0.00 178.15 175.90 1pwq n GLY 428 N -1.24 -2.06 0.00 8.18 0.00 -0.74 -5.03 105.19 104.30 1pwq n GLY 428 Ca -0.00 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1pwq n GLY 428 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1pwq n SER 429 N -1.61 0.00 -0.01 1.61 2.88 -1.26 -5.03 113.62 110.21 1pwq n SER 429 Ca 0.05 -0.35 0.10 0.00 -1.33 0.00 0.00 58.87 57.35 1pwq n SER 429 Cb 0.55 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.86 1pwq n SER 429 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1pwq n THR 430 N 0.00 0.11 1.11 2.46 -2.24 -1.26 -4.34 114.28 110.12 1pwq n THR 430 Ca 0.00 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 1pwq n THR 430 Cb 0.00 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 1pwq n THR 430 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1pwq n LEU 431 N -2.31 0.06 0.00 3.22 4.77 -1.26 -4.85 117.00 116.62 1pwq n LEU 431 Ca -0.05 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 1pwq n LEU 431 Cb 0.60 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 1pwq n LEU 431 CO 0.45 0.01 0.00 0.00 -1.33 0.00 0.00 177.39 176.53 1pwq n TYR 432 N -0.43 0.00 0.00 -1.77 0.18 -1.26 -5.01 117.16 108.86 1pwq n TYR 432 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 1pwq n TYR 432 Cb 0.01 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.97 1pwq n TYR 432 CO 0.00 0.00 0.00 0.27 -2.08 0.00 0.00 176.86 175.05 1pwq n ASN 433 N 0.00 0.00 -4.80 9.48 6.94 -1.26 -4.60 115.26 121.02 1pwq n ASN 433 Ca 0.00 0.00 -0.34 0.00 -0.02 0.00 0.00 54.58 54.22 1pwq n ASN 433 Cb 0.00 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.38 1pwq n ASN 433 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1pwq s LYS 434 N 0.96 3.96 -0.03 -3.83 1.02 -1.26 -4.95 119.74 115.61 1pwq s LYS 434 Ca 0.00 1.35 -0.01 0.00 0.02 0.00 0.00 55.97 57.33 1pwq s LYS 434 Cb 0.00 -2.21 0.03 0.00 -0.52 0.00 0.00 37.83 35.13 1pwq s LYS 434 CO 0.00 -0.29 0.05 0.42 -0.92 0.00 0.00 175.35 174.61 1pwq s ILE 435 N -1.94 -0.08 -0.14 2.17 -1.09 -1.26 -5.12 121.20 113.73 1pwq s ILE 435 Ca 0.64 0.34 0.02 0.00 -2.23 0.00 0.00 60.65 59.42 1pwq s ILE 435 Cb -0.16 -0.13 0.01 0.00 -1.58 0.00 0.00 42.46 40.60 1pwq s ILE 435 CO 0.20 0.14 -0.21 -0.31 -1.23 0.00 0.00 174.94 173.54 1pwq s TYR 436 N 1.72 2.69 0.18 3.97 1.51 -1.26 -1.50 117.35 124.66 1pwq s TYR 436 Ca -0.01 -1.29 0.08 0.00 -1.01 0.00 0.00 57.07 54.85 1pwq s TYR 436 Cb -0.12 -1.83 -0.04 0.00 -0.11 0.00 0.00 41.96 39.86 1pwq s TYR 436 CO -0.03 -0.58 -0.04 -0.51 -1.11 0.00 0.00 175.55 173.27 1pwq s LEU 437 N 0.80 3.16 0.46 -1.29 1.43 0.02 -4.85 118.68 118.42 1pwq s LEU 437 Ca -0.07 -0.48 0.06 0.00 -1.03 0.00 0.00 54.13 52.61 1pwq s LEU 437 Cb -0.16 -1.82 -0.02 0.00 0.03 0.00 0.00 46.19 44.22 1pwq s LEU 437 CO -0.01 0.09 0.24 -0.31 0.23 0.00 0.00 176.35 176.59 1pwq s TYR 438 N -1.75 2.27 -0.30 0.29 1.51 -0.63 -0.72 117.35 118.03 1pwq s TYR 438 Ca 0.26 -0.69 -0.12 0.00 -1.01 0.00 0.00 57.07 55.51 1pwq s TYR 438 Cb -0.09 -1.93 0.13 0.00 -0.11 0.00 0.00 41.96 39.96 1pwq s TYR 438 CO 0.17 -0.02 0.76 -2.00 -1.11 0.00 0.00 175.55 173.36 1pwq s GLU 439 N -4.03 0.51 0.29 -0.62 2.12 0.27 -1.70 118.70 115.54 1pwq s GLU 439 Ca 0.36 1.19 -0.15 0.00 0.36 0.00 0.00 54.97 56.73 1pwq s GLU 439 Cb 0.01 0.62 -0.09 0.00 0.26 0.00 0.00 34.13 34.94 1pwq s GLU 439 CO 0.20 -0.16 0.70 -0.80 -0.54 0.00 0.00 175.26 174.66 1pwq s ASN 440 N 2.52 6.79 -0.16 -1.70 0.02 -1.26 0.26 114.94 121.40 1pwq s ASN 440 Ca -0.06 1.24 -0.27 0.00 -1.02 0.00 0.00 52.86 52.75 1pwq s ASN 440 Cb -0.09 -2.35 0.07 0.00 0.02 0.00 0.00 41.25 38.89 1pwq s ASN 440 CO -0.18 -0.15 0.67 -0.32 0.02 0.00 0.00 177.10 177.14 1pwq s MET 441 N -2.80 0.91 -0.14 -0.60 1.75 -0.79 -4.93 119.30 112.70 1pwq s MET 441 Ca 0.51 0.63 -0.27 0.00 -1.25 0.00 0.00 55.69 55.31 1pwq s MET 441 Cb -0.11 0.43 -0.02 0.00 2.84 0.00 0.00 34.83 37.98 1pwq s MET 441 CO 0.18 -0.20 0.89 1.21 -0.65 0.00 0.00 175.02 176.46 1pwq s ASN 442 N -0.34 7.07 0.49 1.11 3.84 -1.26 -2.35 114.94 123.50 1pwq s ASN 442 Ca -0.05 1.31 0.34 0.00 0.21 0.00 0.00 52.86 54.67 1pwq s ASN 442 Cb -0.03 -2.49 1.46 0.00 -0.55 0.00 0.00 41.25 39.65 1pwq s ASN 442 CO 0.05 -0.40 1.70 -0.29 -2.79 0.00 0.00 177.10 175.37 1pwq h ILE 443 N 5.12 0.27 0.00 -5.21 6.09 -1.94 0.16 117.51 122.01 1pwq h ILE 443 Ca -0.31 -0.04 0.00 0.00 -1.37 0.00 0.00 64.86 63.15 1pwq h ILE 443 Cb 1.14 0.16 0.00 0.00 0.47 0.00 0.00 36.82 38.59 1pwq h ILE 443 CO 0.84 0.02 0.00 0.78 -3.07 0.00 0.00 178.15 176.72 1pwq h ASN 444 N 0.10 0.00 1.16 2.19 2.35 -1.89 0.71 115.58 120.21 1pwq h ASN 444 Ca 0.71 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 56.40 1pwq h ASN 444 Cb 2.49 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 40.85 1pwq h ASN 444 CO -0.18 0.00 -0.31 0.78 -1.65 0.00 0.00 177.43 176.07 1pwq h ASN 445 N 0.00 0.00 0.02 5.81 -0.26 -1.01 -3.24 115.58 116.90 1pwq h ASN 445 Ca 0.00 0.00 -0.38 0.00 -0.56 0.00 0.00 56.30 55.36 1pwq h ASN 445 Cb 0.36 0.00 -0.07 0.00 -1.06 0.00 0.00 38.32 37.56 1pwq h ASN 445 CO 0.00 0.31 -2.40 0.18 -1.06 0.00 0.00 177.43 174.46 1pwq n LEU 446 N -3.34 1.67 -2.94 1.61 4.32 -0.93 -4.95 117.00 112.43 1pwq n LEU 446 Ca 0.01 -0.05 0.03 0.00 -0.02 0.00 0.00 56.01 55.98 1pwq n LEU 446 Cb 0.54 -0.30 0.00 0.00 -1.62 0.00 0.00 43.42 42.04 1pwq n LEU 446 CO 0.36 0.74 0.47 0.28 -1.22 0.00 0.00 177.39 178.02 1pwq s THR 447 N -2.51 -0.27 0.17 -5.08 -1.32 0.20 -4.55 115.64 102.28 1pwq s THR 447 Ca -0.23 0.00 -0.27 0.00 -1.21 0.00 0.00 61.69 59.98 1pwq s THR 447 Cb 0.08 -0.11 0.02 0.00 -1.51 0.00 0.00 72.50 70.97 1pwq s THR 447 CO 0.71 0.00 1.56 0.00 -2.21 0.00 0.00 174.62 174.68 1pwq h ALA 448 N 6.25 -0.38 -0.96 11.08 0.00 -1.64 -1.15 119.26 132.46 1pwq h ALA 448 Ca -0.06 0.11 0.32 0.00 0.00 0.00 0.00 54.91 55.29 1pwq h ALA 448 Cb 1.21 1.04 -0.18 0.00 0.00 0.00 0.00 17.79 19.86 1pwq h ALA 448 CO -0.07 -0.86 0.23 0.25 0.00 0.00 0.00 179.25 178.80 1pwq n THR 449 N -5.39 -0.40 -0.02 0.00 -2.24 -1.05 -1.73 114.28 103.44 1pwq n THR 449 Ca 0.02 2.04 -0.09 0.00 -2.27 0.00 0.00 64.05 63.75 1pwq n THR 449 Cb 0.34 -3.12 -0.08 0.00 -2.10 0.00 0.00 70.33 65.37 1pwq n THR 449 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1pwq h LEU 450 N 0.00 -0.07 -1.32 3.22 3.38 -1.56 -3.31 115.31 115.65 1pwq h LEU 450 Ca 0.68 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1pwq h LEU 450 Cb 1.61 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.38 1pwq h LEU 450 CO -0.83 0.62 0.21 1.23 0.09 0.00 0.00 178.44 179.75 1pwq h GLY 451 N -0.94 0.00 2.00 0.83 0.00 -1.02 -1.42 103.07 102.52 1pwq h GLY 451 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1pwq h GLY 451 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.55 1pwq h ALA 452 N 1.48 1.00 0.00 3.60 0.00 -1.42 -3.10 119.26 120.82 1pwq h ALA 452 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pwq h ALA 452 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1pwq h ALA 452 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 1pwq n ASP 453 N -2.99 0.06 0.00 0.00 8.00 -0.61 -4.92 116.55 116.08 1pwq n ASP 453 Ca -0.01 -0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.18 1pwq n ASP 453 Cb 0.18 0.30 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 1pwq n ASP 453 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1pwq n LEU 454 N -0.30 0.00 -4.57 0.64 7.94 -0.75 -4.27 117.00 115.68 1pwq n LEU 454 Ca 0.00 0.89 -0.45 0.00 -1.11 0.00 0.00 56.01 55.34 1pwq n LEU 454 Cb 0.03 -0.39 -0.04 0.00 0.53 0.00 0.00 43.42 43.54 1pwq n LEU 454 CO 0.00 -0.39 1.79 0.52 -1.11 0.00 0.00 177.39 178.20 1pwq n VAL 455 N -2.19 0.36 -1.44 1.96 0.31 -1.26 -0.97 118.33 115.10 1pwq n VAL 455 Ca 0.00 -0.36 -0.50 0.00 -0.01 0.00 0.00 64.34 63.48 1pwq n VAL 455 Cb 0.00 -2.25 -0.04 0.00 -0.91 0.00 0.00 33.84 30.64 1pwq n VAL 455 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1pwq n ASP 456 N 10.48 -0.66 0.16 4.52 -0.08 -0.25 -4.80 116.55 125.91 1pwq n ASP 456 Ca 0.31 1.14 0.13 0.00 -1.51 0.00 0.00 54.79 54.87 1pwq n ASP 456 Cb 0.38 -0.99 0.46 0.00 2.34 0.00 0.00 41.12 43.30 1pwq n ASP 456 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 1pwq h SER 457 N 1.57 0.00 0.00 1.67 4.64 -1.88 -3.40 113.55 116.15 1pwq h SER 457 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1pwq h SER 457 Cb 1.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.51 1pwq h SER 457 CO 0.59 0.00 -0.16 0.41 -0.87 0.00 0.00 176.83 176.81 1pwq n THR 458 N -2.52 0.25 -3.11 2.95 -1.04 -1.26 -4.89 114.28 104.66 1pwq n THR 458 Ca 0.03 0.44 -0.44 0.00 -2.04 0.00 0.00 64.05 62.04 1pwq n THR 458 Cb 0.35 -1.65 -0.06 0.00 -1.82 0.00 0.00 70.33 67.15 1pwq n THR 458 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1pwq s ASP 459 N -4.26 6.23 0.44 8.00 -1.08 -1.26 -4.96 116.67 119.78 1pwq s ASP 459 Ca -0.05 -0.93 0.22 0.00 -0.52 0.00 0.00 52.55 51.28 1pwq s ASP 459 Cb 0.01 -2.31 1.20 0.00 -1.46 0.00 0.00 42.92 40.35 1pwq s ASP 459 CO 0.07 -0.97 1.83 0.78 0.52 0.00 0.00 175.17 177.39 1pwq h ASN 460 N 9.07 0.32 0.10 -0.34 2.35 -1.91 0.19 115.58 125.37 1pwq h ASN 460 Ca -0.28 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.52 1pwq h ASN 460 Cb 1.09 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.45 1pwq h ASN 460 CO 1.00 0.10 0.00 0.35 -1.65 0.00 0.00 177.43 177.23 1pwq n THR 461 N -4.48 0.13 -4.01 2.81 -2.24 -1.26 -4.73 114.28 100.49 1pwq n THR 461 Ca 0.22 0.03 -0.34 0.00 -2.27 0.00 0.00 64.05 61.69 1pwq n THR 461 Cb 0.86 -0.72 -0.06 0.00 -2.10 0.00 0.00 70.33 68.30 1pwq n THR 461 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1pwq s LYS 462 N -2.17 3.26 -0.27 -0.78 1.02 0.06 -2.21 119.74 118.65 1pwq s LYS 462 Ca 0.26 -0.35 -0.07 0.00 0.02 0.00 0.00 55.97 55.83 1pwq s LYS 462 Cb 0.13 -3.00 -0.01 0.00 -0.52 0.00 0.00 37.83 34.43 1pwq s LYS 462 CO 0.25 0.69 0.07 0.42 -0.92 0.00 0.00 175.35 175.85 1pwq s ILE 463 N -1.18 4.11 -0.62 2.17 1.01 -1.26 -1.09 121.20 124.33 1pwq s ILE 463 Ca 0.22 -0.40 -0.29 0.00 0.00 0.00 0.00 60.65 60.19 1pwq s ILE 463 Cb -0.12 -2.99 -0.12 0.00 0.01 0.00 0.00 42.46 39.23 1pwq s ILE 463 CO 0.13 0.24 2.47 -3.20 0.00 0.00 0.00 174.94 174.58 1pwq n ASN 464 N 4.90 1.68 -0.31 3.58 5.15 -0.14 -4.80 115.26 125.31 1pwq n ASN 464 Ca -0.16 -0.16 0.16 0.00 -0.60 0.00 0.00 54.58 53.82 1pwq n ASN 464 Cb 0.50 -1.33 0.34 0.00 -0.53 0.00 0.00 39.78 38.75 1pwq n ASN 464 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1pwq h ARG 465 N 16.18 0.25 0.00 1.20 -0.00 -1.96 -1.42 114.38 128.63 1pwq h ARG 465 Ca -0.19 -0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.28 1pwq h ARG 465 Cb 1.29 -0.06 0.00 0.00 0.00 0.00 0.00 29.97 31.20 1pwq h ARG 465 CO 1.21 0.17 0.00 0.41 0.00 0.00 0.00 179.97 181.76 1pwq n GLY 466 N -1.35 -3.34 0.09 0.04 0.00 -1.26 -1.89 105.19 97.48 1pwq n GLY 466 Ca 0.24 0.46 -0.02 0.00 0.00 0.00 0.00 46.02 46.70 1pwq n GLY 466 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1pwq h ILE 467 N 0.00 0.00 -0.13 -0.61 5.03 -1.83 -0.79 117.51 119.19 1pwq h ILE 467 Ca 0.00 0.00 0.02 0.00 -0.12 0.00 0.00 64.86 64.76 1pwq h ILE 467 Cb 0.00 0.00 -0.02 0.00 -3.03 0.00 0.00 36.82 33.77 1pwq h ILE 467 CO 0.00 0.00 -0.06 0.33 -0.68 0.00 0.00 178.15 177.74 1pwq n PHE 468 N -3.45 -0.01 0.28 1.37 7.35 -0.57 0.58 117.46 123.02 1pwq n PHE 468 Ca 0.00 0.16 -0.17 0.00 -0.76 0.00 0.00 57.45 56.68 1pwq n PHE 468 Cb 0.06 -0.54 -0.08 0.00 0.35 0.00 0.00 39.48 39.27 1pwq n PHE 468 CO 0.00 0.00 0.00 -0.91 -0.76 0.00 0.00 176.76 175.09 1pwq h ASN 469 N 0.00 -1.01 -1.02 -2.13 2.35 -0.41 -2.47 115.58 110.89 1pwq h ASN 469 Ca 0.04 0.07 0.25 0.00 -0.55 0.00 0.00 56.30 56.11 1pwq h ASN 469 Cb 0.07 0.32 -0.09 0.00 0.05 0.00 0.00 38.32 38.66 1pwq h ASN 469 CO -0.12 -0.56 0.65 -0.08 -1.65 0.00 0.00 177.43 175.67 1pwq h GLU 470 N -0.86 0.44 -0.72 0.81 4.81 0.14 0.52 114.58 119.73 1pwq h GLU 470 Ca -0.05 -0.03 0.12 0.00 -0.13 0.00 0.00 59.36 59.28 1pwq h GLU 470 Cb 0.73 -0.10 -0.09 0.00 0.63 0.00 0.00 28.75 29.93 1pwq h GLU 470 CO -0.00 0.29 0.30 0.35 -0.73 0.00 0.00 179.01 179.22 1pwq h PHE 471 N 0.45 0.52 0.06 0.92 3.57 -0.95 -2.75 116.94 118.77 1pwq h PHE 471 Ca 0.58 0.03 -0.26 0.00 3.53 0.00 0.00 57.97 61.86 1pwq h PHE 471 Cb 1.37 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.98 1pwq h PHE 471 CO -0.00 0.11 -1.23 1.57 -2.23 0.00 0.00 178.31 176.52 1pwq h LYS 472 N 0.47 0.13 -5.84 1.11 2.10 -0.88 -3.44 116.57 110.23 1pwq h LYS 472 Ca 0.38 -0.23 -0.64 0.00 -2.00 0.00 0.00 60.65 58.16 1pwq h LYS 472 Cb 0.53 0.08 -0.03 0.00 -0.90 0.00 0.00 32.23 31.92 1pwq h LYS 472 CO -0.36 1.05 1.47 1.17 -2.00 0.00 0.00 179.45 180.78 1pwq n LYS 473 N -3.40 0.84 -1.68 0.07 4.81 -0.85 -1.25 118.16 116.69 1pwq n LYS 473 Ca -0.07 0.20 -0.01 0.00 -0.87 0.00 0.00 58.31 57.56 1pwq n LYS 473 Cb 1.00 -2.35 0.00 0.00 0.02 0.00 0.00 35.03 33.70 1pwq n LYS 473 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1pwq n ASN 474 N 10.29 -2.26 -3.18 3.14 3.02 -1.26 -4.92 115.26 120.09 1pwq n ASN 474 Ca 0.45 -0.05 -0.25 0.00 -0.03 0.00 0.00 54.58 54.71 1pwq n ASN 474 Cb 0.21 -0.80 -0.06 0.00 -0.61 0.00 0.00 39.78 38.52 1pwq n ASN 474 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1pwq n PHE 475 N -1.56 2.27 0.04 3.10 -0.00 -0.38 -1.95 117.46 118.98 1pwq n PHE 475 Ca -0.01 -3.92 -0.02 0.00 -0.00 0.00 0.00 57.45 53.50 1pwq n PHE 475 Cb 0.51 -0.47 -0.01 0.00 -0.00 0.00 0.00 39.48 39.51 1pwq n PHE 475 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.76 177.63 1pwq h LYS 476 N 3.53 -0.12 -5.94 -4.13 1.57 -1.89 -3.41 116.57 106.18 1pwq h LYS 476 Ca 0.13 0.01 -0.57 0.00 -1.87 0.00 0.00 60.65 58.35 1pwq h LYS 476 Cb 0.72 0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.97 1pwq h LYS 476 CO 0.69 -0.08 -0.53 1.52 -0.57 0.00 0.00 179.45 180.48 1pwq s TYR 477 N -1.96 2.61 -0.17 -1.35 -0.85 -1.26 0.86 117.35 115.23 1pwq s TYR 477 Ca -0.02 -0.54 -0.10 0.00 -0.52 0.00 0.00 57.07 55.89 1pwq s TYR 477 Cb 0.00 -1.83 0.06 0.00 0.38 0.00 0.00 41.96 40.57 1pwq s TYR 477 CO 0.05 0.27 0.42 0.45 -1.52 0.00 0.00 175.55 175.22 1pwq s SER 478 N -3.86 -0.50 -0.07 -0.18 0.15 0.16 -2.44 113.70 106.95 1pwq s SER 478 Ca 0.39 0.89 0.01 0.00 0.70 0.00 0.00 55.95 57.94 1pwq s SER 478 Cb 0.03 0.80 -0.03 0.00 -1.71 0.00 0.00 66.02 65.10 1pwq s SER 478 CO 0.22 -0.18 -0.07 -0.63 1.20 0.00 0.00 173.24 173.77 1pwq s ILE 479 N 1.15 3.66 -0.20 6.45 1.01 -0.19 -0.68 121.20 132.39 1pwq s ILE 479 Ca -0.08 -0.49 0.01 0.00 0.00 0.00 0.00 60.65 60.09 1pwq s ILE 479 Cb -0.07 -2.49 0.03 0.00 0.01 0.00 0.00 42.46 39.94 1pwq s ILE 479 CO -0.10 0.59 -0.17 -0.55 0.00 0.00 0.00 174.94 174.71 1pwq s SER 480 N -0.76 3.43 0.07 3.58 0.15 -0.73 -1.17 113.70 118.28 1pwq s SER 480 Ca 0.12 -0.83 0.19 0.00 0.70 0.00 0.00 55.95 56.13 1pwq s SER 480 Cb -0.11 -1.47 -0.13 0.00 -1.71 0.00 0.00 66.02 62.60 1pwq s SER 480 CO 0.01 -0.06 0.79 -1.20 1.20 0.00 0.00 173.24 173.99 1pwq n SER 481 N 4.59 0.69 -2.47 5.45 7.64 -1.26 -2.16 113.62 126.10 1pwq n SER 481 Ca -0.19 0.29 -0.04 0.00 1.01 0.00 0.00 58.87 59.94 1pwq n SER 481 Cb 0.48 0.54 0.01 0.00 -1.01 0.00 0.00 64.21 64.22 1pwq n SER 481 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1pwq n ASN 482 N -2.74 0.83 -4.52 6.43 0.23 -1.26 -4.09 115.26 110.15 1pwq n ASN 482 Ca -0.08 -1.28 -0.42 0.00 -0.53 0.00 0.00 54.58 52.27 1pwq n ASN 482 Cb 0.74 -0.04 -0.03 0.00 -2.08 0.00 0.00 39.78 38.37 1pwq n ASN 482 CO 0.00 0.00 0.00 -0.31 -0.93 0.00 0.00 177.26 176.02 1pwq s TYR 483 N -0.03 2.62 -0.07 -2.53 1.51 -1.26 -4.30 117.35 113.29 1pwq s TYR 483 Ca 0.07 -0.72 -0.31 0.00 -1.01 0.00 0.00 57.07 55.11 1pwq s TYR 483 Cb -0.01 -4.52 -0.09 0.00 -0.11 0.00 0.00 41.96 37.23 1pwq s TYR 483 CO 0.05 -1.83 2.03 -0.12 -1.11 0.00 0.00 175.55 174.58 1pwq n MET 484 N 8.30 2.43 -3.58 -0.62 0.00 -1.26 -4.75 117.12 117.64 1pwq n MET 484 Ca 0.18 0.84 -0.41 0.00 -0.00 0.00 0.00 57.70 58.31 1pwq n MET 484 Cb 0.49 -2.98 -0.10 0.00 0.00 0.00 0.00 33.22 30.64 1pwq n MET 484 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 1pwq s ILE 485 N 5.52 4.35 0.51 1.12 1.01 -1.26 -0.75 121.20 131.69 1pwq s ILE 485 Ca 0.94 -1.31 0.04 0.00 0.00 0.00 0.00 60.65 60.31 1pwq s ILE 485 Cb -0.48 -3.63 -0.00 0.00 0.01 0.00 0.00 42.46 38.36 1pwq s ILE 485 CO 0.43 -0.49 0.16 0.68 0.00 0.00 0.00 174.94 175.72 1pwq s VAL 486 N 1.46 1.49 0.11 2.92 -7.23 -0.99 -4.96 120.40 113.21 1pwq s VAL 486 Ca 0.03 -1.79 0.08 0.00 -1.81 0.00 0.00 61.98 58.50 1pwq s VAL 486 Cb -0.23 -2.28 -0.04 0.00 0.56 0.00 0.00 36.38 34.40 1pwq s VAL 486 CO 0.03 0.00 -0.15 -1.81 -0.31 0.00 0.00 175.10 172.86 1pwq s ASP 487 N -4.02 4.08 0.09 4.85 -0.00 -0.69 -1.80 116.67 119.18 1pwq s ASP 487 Ca 0.21 -0.50 -0.22 0.00 -0.00 0.00 0.00 52.55 52.04 1pwq s ASP 487 Cb 0.01 -0.65 -0.12 0.00 -0.00 0.00 0.00 42.92 42.15 1pwq s ASP 487 CO 0.12 0.18 1.70 0.40 -0.00 0.00 0.00 175.17 177.57 1pwq h ILE 488 N 3.42 1.07 -2.13 0.77 5.03 -1.85 -1.68 117.51 122.14 1pwq h ILE 488 Ca -0.49 -0.19 -0.59 0.00 -0.12 0.00 0.00 64.86 63.47 1pwq h ILE 488 Cb 1.17 1.04 -0.12 0.00 -3.03 0.00 0.00 36.82 35.88 1pwq h ILE 488 CO 0.48 0.06 -0.69 0.20 -0.68 0.00 0.00 178.15 177.53 1pwq s ASN 489 N -5.34 4.04 0.58 1.72 0.01 -1.26 -4.71 114.94 109.98 1pwq s ASN 489 Ca -0.13 -0.91 -0.19 0.00 -0.71 0.00 0.00 52.86 50.92 1pwq s ASN 489 Cb 0.07 -0.53 -0.04 0.00 0.41 0.00 0.00 41.25 41.15 1pwq s ASN 489 CO 0.68 -0.05 1.21 -0.70 -1.51 0.00 0.00 177.10 176.72 1pwq s GLU 490 N -3.62 3.04 0.06 -0.60 2.56 -1.26 -4.73 118.70 114.15 1pwq s GLU 490 Ca 0.32 1.82 -0.04 0.00 0.00 0.00 0.00 54.97 57.08 1pwq s GLU 490 Cb -0.04 -1.96 -0.03 0.00 2.00 0.00 0.00 34.13 34.10 1pwq s GLU 490 CO 0.18 -1.15 0.04 1.03 -0.56 0.00 0.00 175.26 174.80 1pwq s ARG 491 N -3.29 0.67 0.87 4.30 0.52 -1.26 -5.13 118.95 115.63 1pwq s ARG 491 Ca 0.76 -1.09 -0.12 0.00 -0.52 0.00 0.00 55.73 54.76 1pwq s ARG 491 Cb -0.30 0.25 0.11 0.00 0.52 0.00 0.00 34.95 35.52 1pwq s ARG 491 CO 0.33 -0.16 1.10 -2.30 0.02 0.00 0.00 175.30 174.30 1pwq n PRO 492 N 0.15 -0.16 -0.04 3.54 -0.02 -1.26 -4.91 135.00 132.30 1pwq n PRO 492 Ca -0.15 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 1pwq n PRO 492 Cb 0.61 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 1pwq n PRO 492 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pwq n ALA 493 N -3.76 0.00 -2.59 3.55 0.00 -1.26 -4.99 120.51 111.46 1pwq n ALA 493 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.34 1pwq n ALA 493 Cb 0.51 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.81 1pwq n ALA 493 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1pwq s LEU 494 N 0.00 2.01 0.05 0.00 1.43 -1.26 -5.01 118.68 115.91 1pwq s LEU 494 Ca 0.00 -0.26 0.04 0.00 -1.03 0.00 0.00 54.13 52.88 1pwq s LEU 494 Cb 0.00 -0.75 0.14 0.00 0.03 0.00 0.00 46.19 45.61 1pwq s LEU 494 CO 0.00 0.17 0.14 0.47 0.23 0.00 0.00 176.35 177.36 1pwq n ASP 495 N 2.76 0.00 -0.00 2.29 9.92 -1.26 0.16 116.55 130.42 1pwq n ASP 495 Ca -0.15 0.09 0.07 0.00 -0.53 0.00 0.00 54.79 54.27 1pwq n ASP 495 Cb 0.55 -0.04 -0.08 0.00 -0.64 0.00 0.00 41.12 40.91 1pwq n ASP 495 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 1pwq n ASN 496 N -1.92 0.74 -4.56 -2.24 2.04 -1.26 -4.89 115.26 103.17 1pwq n ASN 496 Ca 0.03 -0.77 -0.42 0.00 -0.44 0.00 0.00 54.58 52.98 1pwq n ASN 496 Cb 0.17 1.05 -0.03 0.00 -2.53 0.00 0.00 39.78 38.44 1pwq n ASN 496 CO 0.00 0.00 0.00 -1.61 -0.44 0.00 0.00 177.26 175.21 1pwq s GLU 497 N -2.38 3.40 0.00 -3.83 2.02 0.42 -4.02 118.70 114.32 1pwq s GLU 497 Ca 0.05 0.04 0.14 0.00 0.02 0.00 0.00 54.97 55.21 1pwq s GLU 497 Cb 0.11 -4.07 0.00 0.00 0.10 0.00 0.00 34.13 30.27 1pwq s GLU 497 CO 0.58 -1.77 0.79 0.54 0.02 0.00 0.00 175.26 175.42 1pwq n ARG 498 N 8.52 1.78 -4.19 1.61 5.12 -1.09 -4.58 116.66 123.83 1pwq n ARG 498 Ca 0.06 -0.77 -0.35 0.00 -1.93 0.00 0.00 57.85 54.86 1pwq n ARG 498 Cb 0.49 -1.22 -0.10 0.00 -1.16 0.00 0.00 32.46 30.48 1pwq n ARG 498 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1pwq s LEU 499 N -1.87 3.71 -0.55 0.55 1.02 -0.99 -0.48 118.68 120.06 1pwq s LEU 499 Ca 0.12 0.12 0.03 0.00 0.02 0.00 0.00 54.13 54.42 1pwq s LEU 499 Cb 0.11 -1.89 0.14 0.00 0.02 0.00 0.00 46.19 44.57 1pwq s LEU 499 CO 0.35 0.28 0.31 -0.54 0.02 0.00 0.00 176.35 176.77 1pwq s LYS 500 N -0.29 2.11 0.22 1.70 -0.14 0.89 -1.88 119.74 122.34 1pwq s LYS 500 Ca 0.07 -2.69 -0.30 0.00 -1.36 0.00 0.00 55.97 51.69 1pwq s LYS 500 Cb -0.12 -3.38 -0.09 0.00 -1.68 0.00 0.00 37.83 32.56 1pwq s LYS 500 CO 0.02 -1.13 1.17 -1.58 -0.76 0.00 0.00 175.35 173.06 1pwq s TRP 501 N -0.39 3.47 -0.29 3.18 0.52 0.14 -1.77 118.94 123.80 1pwq s TRP 501 Ca 0.18 1.52 0.01 0.00 0.02 0.00 0.00 56.10 57.83 1pwq s TRP 501 Cb -0.23 -3.39 0.08 0.00 -1.15 0.00 0.00 33.47 28.78 1pwq s TRP 501 CO -0.02 -0.99 0.03 0.50 0.02 0.00 0.00 176.95 176.49 1pwq s ARG 502 N -0.68 1.23 -0.21 4.98 3.52 -0.52 -0.57 118.95 126.70 1pwq s ARG 502 Ca 0.50 -1.22 -0.09 0.00 -0.13 0.00 0.00 55.73 54.79 1pwq s ARG 502 Cb -0.32 -2.52 -0.05 0.00 -1.56 0.00 0.00 34.95 30.50 1pwq s ARG 502 CO 0.39 -0.82 0.11 0.42 -0.81 0.00 0.00 175.30 174.59 1pwq s ILE 503 N 1.36 5.09 -0.78 4.11 -1.09 0.11 -1.95 121.20 128.04 1pwq s ILE 503 Ca 0.04 0.08 -0.21 0.00 -2.23 0.00 0.00 60.65 58.33 1pwq s ILE 503 Cb -0.18 -3.34 0.09 0.00 -1.58 0.00 0.00 42.46 37.45 1pwq s ILE 503 CO -0.13 0.40 1.06 -1.58 -1.23 0.00 0.00 174.94 173.46 1pwq s GLN 504 N 0.72 3.32 0.91 2.79 0.74 -0.34 -0.80 119.66 127.00 1pwq s GLN 504 Ca 0.06 -1.18 -0.10 0.00 0.05 0.00 0.00 55.36 54.19 1pwq s GLN 504 Cb -0.13 -4.55 0.14 0.00 1.10 0.00 0.00 33.01 29.57 1pwq s GLN 504 CO 0.02 -1.83 1.15 -0.51 -0.55 0.00 0.00 175.29 173.56 1pwq s LEU 505 N 3.64 2.86 -0.04 3.68 1.43 -0.56 -2.73 118.68 126.97 1pwq s LEU 505 Ca 0.28 2.18 -0.11 0.00 -1.03 0.00 0.00 54.13 55.44 1pwq s LEU 505 Cb -0.11 -4.57 -0.05 0.00 0.03 0.00 0.00 46.19 41.49 1pwq s LEU 505 CO 0.02 -3.06 0.30 -0.55 0.23 0.00 0.00 176.35 173.29 1pwq s SER 506 N -2.70 6.63 0.14 2.29 0.15 -1.26 -4.75 113.70 114.19 1pwq s SER 506 Ca 0.67 0.75 -0.25 0.00 0.70 0.00 0.00 55.95 57.81 1pwq s SER 506 Cb -0.23 -2.17 -0.02 0.00 -1.71 0.00 0.00 66.02 61.90 1pwq s SER 506 CO 0.58 0.34 1.62 -0.65 1.20 0.00 0.00 173.24 176.33 1pwq h PRO 507 N 4.71 -0.35 0.00 5.44 0.11 -1.97 -2.16 132.00 137.78 1pwq h PRO 507 Ca -0.53 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1pwq h PRO 507 Cb 1.22 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1pwq h PRO 507 CO 0.61 -0.23 0.00 -0.25 -0.21 0.00 0.00 178.00 177.92 1pwq n ASP 508 N -5.39 0.05 -4.75 -2.05 10.43 -1.26 -1.79 116.55 111.78 1pwq n ASP 508 Ca -0.03 0.52 -0.39 0.00 2.57 0.00 0.00 54.79 57.46 1pwq n ASP 508 Cb 0.31 -0.53 0.03 0.00 1.84 0.00 0.00 41.12 42.78 1pwq n ASP 508 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 177.20 176.54 1pwq n THR 509 N -1.56 3.47 -4.19 -3.53 -1.04 -0.81 -4.67 114.28 101.95 1pwq n THR 509 Ca 0.01 -0.50 -0.34 0.00 -2.04 0.00 0.00 64.05 61.17 1pwq n THR 509 Cb 0.05 -1.74 -0.13 0.00 -1.82 0.00 0.00 70.33 66.69 1pwq n THR 509 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1pwq s ARG 510 N -2.73 3.60 0.10 -2.82 0.52 -1.26 0.11 118.95 116.46 1pwq s ARG 510 Ca 0.68 -0.54 -0.14 0.00 -0.52 0.00 0.00 55.73 55.20 1pwq s ARG 510 Cb -0.43 -3.00 0.03 0.00 0.52 0.00 0.00 34.95 32.07 1pwq s ARG 510 CO 0.52 0.07 0.35 0.00 0.02 0.00 0.00 175.30 176.25 1pwq s ALA 511 N 0.83 -0.76 0.24 2.13 0.00 -1.07 -0.96 121.76 122.17 1pwq s ALA 511 Ca -0.00 -0.14 0.06 0.00 0.00 0.00 0.00 51.96 51.88 1pwq s ALA 511 Cb -0.14 0.58 -0.03 0.00 0.00 0.00 0.00 23.12 23.53 1pwq s ALA 511 CO 0.02 -0.58 0.24 0.20 0.00 0.00 0.00 175.76 175.64 1pwq s GLY 512 N -2.69 1.38 -0.06 0.00 0.00 0.13 -4.49 107.32 101.59 1pwq s GLY 512 Ca 0.02 -1.35 -0.00 0.00 0.00 0.00 0.00 44.72 43.39 1pwq s GLY 512 CO -0.10 -1.38 -0.03 -0.47 0.00 0.00 0.00 173.10 171.12 1pwq s TYR 513 N -2.06 3.05 -0.15 1.90 5.04 -1.26 0.45 117.35 124.31 1pwq s TYR 513 Ca 0.33 0.10 0.01 0.00 -2.44 0.00 0.00 57.07 55.07 1pwq s TYR 513 Cb -0.08 -1.73 0.02 0.00 0.35 0.00 0.00 41.96 40.52 1pwq s TYR 513 CO 0.26 0.41 -0.17 -0.51 -1.34 0.00 0.00 175.55 174.20 1pwq s LEU 514 N -1.00 1.91 0.36 6.97 1.43 0.13 -4.93 118.68 123.55 1pwq s LEU 514 Ca 0.14 -0.55 0.31 0.00 -1.03 0.00 0.00 54.13 53.00 1pwq s LEU 514 Cb -0.11 -1.31 1.07 0.00 0.03 0.00 0.00 46.19 45.86 1pwq s LEU 514 CO 0.04 -0.01 0.98 -0.62 0.23 0.00 0.00 176.35 176.97 1pwq n GLU 515 N 4.55 0.00 0.00 1.70 -0.58 -1.26 -0.83 120.64 124.22 1pwq n GLU 515 Ca -0.19 0.69 0.03 0.00 -0.42 0.00 0.00 57.16 57.26 1pwq n GLU 515 Cb 0.50 -1.60 0.16 0.00 -0.57 0.00 0.00 31.44 29.93 1pwq n GLU 515 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1pwq n ASN 516 N -3.17 0.00 -0.48 1.62 2.04 -1.26 -4.83 115.26 109.18 1pwq n ASN 516 Ca 0.27 -1.71 0.00 0.00 -0.44 0.00 0.00 54.58 52.70 1pwq n ASN 516 Cb 1.27 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 38.52 1pwq n ASN 516 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1pwq n GLY 517 N 0.52 0.89 2.91 4.83 0.00 -0.01 -5.04 105.19 109.28 1pwq n GLY 517 Ca 0.04 -0.54 -0.17 0.00 0.00 0.00 0.00 46.02 45.35 1pwq n GLY 517 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pwq s LYS 518 N -4.00 0.45 -0.10 1.61 1.02 -0.92 -2.69 119.74 115.11 1pwq s LYS 518 Ca 0.00 -0.10 -0.03 0.00 0.02 0.00 0.00 55.97 55.86 1pwq s LYS 518 Cb 0.00 -0.48 -0.03 0.00 -0.52 0.00 0.00 37.83 36.79 1pwq s LYS 518 CO 0.00 0.01 0.04 -0.51 -0.92 0.00 0.00 175.35 173.97 1pwq s LEU 519 N 0.34 3.79 -0.37 3.17 1.43 -0.75 0.21 118.68 126.51 1pwq s LEU 519 Ca -0.04 0.23 -0.11 0.00 -1.03 0.00 0.00 54.13 53.18 1pwq s LEU 519 Cb -0.07 -1.88 0.02 0.00 0.03 0.00 0.00 46.19 44.28 1pwq s LEU 519 CO -0.00 0.38 0.21 -0.51 0.23 0.00 0.00 176.35 176.66 1pwq s ILE 520 N -0.90 4.70 1.00 -0.59 2.07 0.17 -2.33 121.20 125.32 1pwq s ILE 520 Ca 0.13 -0.75 -0.15 0.00 -1.41 0.00 0.00 60.65 58.48 1pwq s ILE 520 Cb -0.12 -3.58 0.19 0.00 0.13 0.00 0.00 42.46 39.08 1pwq s ILE 520 CO 0.03 -0.19 1.17 -0.76 -1.91 0.00 0.00 174.94 173.28 1pwq s LEU 521 N 1.59 1.85 0.58 8.50 1.43 0.07 0.17 118.68 132.87 1pwq s LEU 521 Ca 0.03 0.72 -0.07 0.00 -1.03 0.00 0.00 54.13 53.78 1pwq s LEU 521 Cb -0.19 -2.83 -0.00 0.00 0.03 0.00 0.00 46.19 43.20 1pwq s LEU 521 CO 0.07 -2.99 0.91 0.00 0.23 0.00 0.00 176.35 174.57 1pwq s GLN 522 N -5.45 3.10 0.82 1.70 -2.07 -0.14 -4.29 119.66 113.34 1pwq s GLN 522 Ca 0.68 0.15 -0.05 0.00 -1.82 0.00 0.00 55.36 54.31 1pwq s GLN 522 Cb -0.11 -2.25 0.17 0.00 -1.09 0.00 0.00 33.01 29.73 1pwq s GLN 522 CO 0.54 -0.62 1.12 -0.98 -1.32 0.00 0.00 175.29 174.04 1pwq s ARG 523 N -4.99 1.18 -1.25 9.60 1.70 -1.26 -4.46 118.95 119.47 1pwq s ARG 523 Ca 0.53 -1.01 -0.06 0.00 -0.47 0.00 0.00 55.73 54.72 1pwq s ARG 523 Cb -0.11 -2.17 0.01 0.00 -0.57 0.00 0.00 34.95 32.11 1pwq s ARG 523 CO 0.46 -1.87 0.74 0.09 -1.08 0.00 0.00 175.30 173.64 1pwq n ASN 524 N -3.19 -5.58 -4.78 -2.89 5.03 -1.08 -4.99 115.26 97.78 1pwq n ASN 524 Ca 0.17 -0.34 -0.39 0.00 0.87 0.00 0.00 54.58 54.89 1pwq n ASN 524 Cb 0.60 -4.32 -0.06 0.00 -1.02 0.00 0.00 39.78 34.99 1pwq n ASN 524 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1pwq s ILE 525 N -3.17 4.79 0.11 2.41 1.01 -0.92 -4.17 121.20 121.26 1pwq s ILE 525 Ca 0.37 1.32 -0.00 0.00 0.00 0.00 0.00 60.65 62.33 1pwq s ILE 525 Cb -0.16 -3.96 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 1pwq s ILE 525 CO 0.45 0.46 0.27 -0.83 0.00 0.00 0.00 174.94 175.30 1pwq s GLY 526 N -0.53 2.05 -0.11 6.18 0.00 -0.42 -1.77 107.32 112.72 1pwq s GLY 526 Ca 0.32 -0.84 -0.05 0.00 0.00 0.00 0.00 44.72 44.15 1pwq s GLY 526 CO 0.19 -0.81 0.24 1.08 0.00 0.00 0.00 173.10 173.79 1pwq s LEU 527 N -2.77 0.24 -0.33 0.66 1.43 0.14 -1.29 118.68 116.76 1pwq s LEU 527 Ca 0.36 0.51 -0.05 0.00 -1.03 0.00 0.00 54.13 53.92 1pwq s LEU 527 Cb -0.12 0.67 0.04 0.00 0.03 0.00 0.00 46.19 46.81 1pwq s LEU 527 CO 0.28 -0.19 0.07 -1.61 0.23 0.00 0.00 176.35 175.13 1pwq s GLU 528 N 1.58 2.56 0.26 1.70 2.02 -0.43 0.38 118.70 126.77 1pwq s GLU 528 Ca -0.06 -1.20 -0.31 0.00 0.02 0.00 0.00 54.97 53.42 1pwq s GLU 528 Cb -0.11 -3.38 -0.13 0.00 0.10 0.00 0.00 34.13 30.61 1pwq s GLU 528 CO -0.08 -0.65 1.39 -0.89 0.02 0.00 0.00 175.26 175.05 1pwq n ILE 529 N 4.76 1.11 -0.04 -1.63 -0.00 0.25 -2.31 119.36 121.49 1pwq n ILE 529 Ca -0.13 -0.28 0.00 0.00 -0.00 0.00 0.00 62.75 62.35 1pwq n ILE 529 Cb 0.44 -1.50 0.00 0.00 -0.00 0.00 0.00 39.64 38.58 1pwq n ILE 529 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 1pwq n LYS 530 N 1.82 2.97 0.00 0.38 4.76 -0.87 -4.89 118.16 122.33 1pwq n LYS 530 Ca 0.10 -0.21 0.00 0.00 -2.87 0.00 0.00 58.31 55.33 1pwq n LYS 530 Cb 0.32 -0.69 0.00 0.00 -1.84 0.00 0.00 35.03 32.83 1pwq n LYS 530 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1pwq n ASP 531 N -0.49 0.00 -4.08 4.39 -0.08 -1.25 -4.99 116.55 110.06 1pwq n ASP 531 Ca 0.00 0.00 -0.33 0.00 -1.51 0.00 0.00 54.79 52.95 1pwq n ASP 531 Cb 0.01 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.33 1pwq n ASP 531 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1pwq s VAL 532 N 0.00 2.50 0.17 5.18 1.01 -1.26 -2.58 120.40 125.42 1pwq s VAL 532 Ca 0.00 -1.91 0.01 0.00 0.00 0.00 0.00 61.98 60.08 1pwq s VAL 532 Cb 0.00 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 1pwq s VAL 532 CO 0.00 -0.34 0.04 0.00 0.00 0.00 0.00 175.10 174.80 1pwq s GLN 533 N 1.06 1.10 -0.12 2.72 -2.07 -1.20 -5.00 119.66 116.15 1pwq s GLN 533 Ca 0.01 -1.54 -0.18 0.00 -1.82 0.00 0.00 55.36 51.83 1pwq s GLN 533 Cb -0.20 -0.09 -0.04 0.00 -1.09 0.00 0.00 33.01 31.59 1pwq s GLN 533 CO -0.05 -0.20 0.48 0.42 -1.32 0.00 0.00 175.29 174.61 1pwq s ILE 534 N -3.81 5.18 0.16 3.63 1.01 -1.26 -0.47 121.20 125.64 1pwq s ILE 534 Ca 0.27 0.96 0.08 0.00 0.00 0.00 0.00 60.65 61.95 1pwq s ILE 534 Cb 0.07 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 1pwq s ILE 534 CO 0.05 0.31 -0.16 0.27 0.00 0.00 0.00 174.94 175.42 1pwq s ILE 535 N 0.69 1.66 -0.73 2.92 -4.36 0.77 -4.43 121.20 117.72 1pwq s ILE 535 Ca 0.26 -1.95 -0.02 0.00 -0.26 0.00 0.00 60.65 58.68 1pwq s ILE 535 Cb -0.15 -1.82 0.18 0.00 1.25 0.00 0.00 42.46 41.93 1pwq s ILE 535 CO 0.10 -0.42 0.57 -0.75 0.24 0.00 0.00 174.94 174.68 1pwq s LYS 536 N -3.01 2.84 -0.08 0.37 2.20 -1.26 -0.02 119.74 120.78 1pwq s LYS 536 Ca 0.16 -2.83 -0.12 0.00 -0.36 0.00 0.00 55.97 52.82 1pwq s LYS 536 Cb -0.04 -3.82 -0.05 0.00 -1.51 0.00 0.00 37.83 32.41 1pwq s LYS 536 CO 0.06 -1.21 0.30 -1.14 -0.36 0.00 0.00 175.35 173.00 1pwq s GLN 537 N -0.57 3.89 -1.63 4.03 0.74 -0.99 -4.34 119.66 120.80 1pwq s GLN 537 Ca 0.21 0.17 -0.08 0.00 0.05 0.00 0.00 55.36 55.71 1pwq s GLN 537 Cb -0.15 -3.28 0.08 0.00 1.10 0.00 0.00 33.01 30.76 1pwq s GLN 537 CO -0.07 0.57 0.31 0.43 -0.55 0.00 0.00 175.29 175.98 1pwq n SER 538 N 2.41 -0.43 0.00 6.67 7.64 -1.26 -0.57 113.62 128.08 1pwq n SER 538 Ca -0.15 -1.20 0.00 0.00 1.01 0.00 0.00 58.87 58.54 1pwq n SER 538 Cb 0.53 -1.98 0.00 0.00 -1.01 0.00 0.00 64.21 61.75 1pwq n SER 538 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1pwq n GLU 539 N -4.41 0.00 -2.40 1.43 -0.58 -1.26 -4.94 120.64 108.48 1pwq n GLU 539 Ca -0.17 0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.33 1pwq n GLU 539 Cb 0.61 -4.11 0.06 0.00 -0.57 0.00 0.00 31.44 27.42 1pwq n GLU 539 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1pwq s LYS 540 N -0.40 2.34 -0.15 3.49 2.20 0.27 -4.92 119.74 122.56 1pwq s LYS 540 Ca 0.00 -0.51 0.02 0.00 -0.36 0.00 0.00 55.97 55.12 1pwq s LYS 540 Cb 0.00 -2.31 0.01 0.00 -1.51 0.00 0.00 37.83 34.01 1pwq s LYS 540 CO 0.00 -1.01 -0.20 -2.00 -0.36 0.00 0.00 175.35 171.78 1pwq s GLU 541 N -5.03 3.07 0.38 4.03 2.12 -0.94 -2.34 118.70 119.98 1pwq s GLU 541 Ca 0.59 -0.83 0.06 0.00 0.36 0.00 0.00 54.97 55.15 1pwq s GLU 541 Cb -0.10 -2.50 -0.07 0.00 0.26 0.00 0.00 34.13 31.71 1pwq s GLU 541 CO 0.42 -0.03 0.02 0.71 -0.54 0.00 0.00 175.26 175.84 1pwq s TYR 542 N 0.87 2.33 -0.31 5.30 4.12 0.96 -4.71 117.35 125.93 1pwq s TYR 542 Ca -0.05 -0.76 -0.06 0.00 0.02 0.00 0.00 57.07 56.21 1pwq s TYR 542 Cb -0.15 -1.61 0.02 0.00 -1.52 0.00 0.00 41.96 38.70 1pwq s TYR 542 CO -0.03 0.30 0.08 0.42 0.02 0.00 0.00 175.55 176.35 1pwq s ILE 543 N -2.91 3.82 0.33 2.71 1.01 0.37 -0.16 121.20 126.37 1pwq s ILE 543 Ca 0.35 -0.87 -0.26 0.00 0.00 0.00 0.00 60.65 59.87 1pwq s ILE 543 Cb 0.09 -3.04 -0.10 0.00 0.01 0.00 0.00 42.46 39.43 1pwq s ILE 543 CO 0.17 -0.00 0.96 -0.60 0.00 0.00 0.00 174.94 175.47 1pwq s ARG 544 N 1.45 4.53 -0.36 2.79 6.06 0.38 -0.08 118.95 133.72 1pwq s ARG 544 Ca 0.01 1.37 0.00 0.00 -2.50 0.00 0.00 55.73 54.61 1pwq s ARG 544 Cb -0.18 -2.78 0.14 0.00 0.06 0.00 0.00 34.95 32.19 1pwq s ARG 544 CO 0.02 0.22 0.21 0.42 -2.50 0.00 0.00 175.30 173.68 1pwq s ILE 545 N -1.61 0.36 0.45 4.11 1.01 -0.73 -3.21 121.20 121.58 1pwq s ILE 545 Ca 0.51 -1.81 -0.21 0.00 0.00 0.00 0.00 60.65 59.13 1pwq s ILE 545 Cb -0.19 -1.27 -0.09 0.00 0.01 0.00 0.00 42.46 40.92 1pwq s ILE 545 CO 0.25 -0.96 1.01 -1.81 0.00 0.00 0.00 174.94 173.43 1pwq s ASP 546 N 0.99 6.59 -0.25 3.58 1.01 -1.06 -1.44 116.67 126.09 1pwq s ASP 546 Ca 0.18 1.88 -0.26 0.00 0.71 0.00 0.00 52.55 55.06 1pwq s ASP 546 Cb -0.23 -2.56 0.10 0.00 1.01 0.00 0.00 42.92 41.24 1pwq s ASP 546 CO -0.01 -0.61 0.88 0.00 0.21 0.00 0.00 175.17 175.64 1pwq s ALA 547 N -1.97 -1.88 -0.16 5.23 0.00 -0.82 -2.06 121.76 120.10 1pwq s ALA 547 Ca 0.64 1.87 -0.13 0.00 0.00 0.00 0.00 51.96 54.34 1pwq s ALA 547 Cb -0.15 -1.16 -0.05 0.00 0.00 0.00 0.00 23.12 21.76 1pwq s ALA 547 CO 0.19 -0.29 0.27 0.21 0.00 0.00 0.00 175.76 176.14 1pwq s LYS 548 N 0.07 4.22 0.25 0.00 2.20 -0.98 -1.19 119.74 124.31 1pwq s LYS 548 Ca 0.00 0.06 -0.30 0.00 -0.36 0.00 0.00 55.97 55.38 1pwq s LYS 548 Cb -0.04 -3.42 -0.09 0.00 -1.51 0.00 0.00 37.83 32.77 1pwq s LYS 548 CO -0.01 0.27 1.05 0.08 -0.36 0.00 0.00 175.35 176.37 1pwq s VAL 549 N 0.39 3.74 0.06 4.02 1.01 -1.10 -1.32 120.40 127.19 1pwq s VAL 549 Ca 0.16 1.70 -0.06 0.00 0.00 0.00 0.00 61.98 63.78 1pwq s VAL 549 Cb -0.13 -4.08 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 1pwq s VAL 549 CO 0.03 0.38 0.11 0.68 0.00 0.00 0.00 175.10 176.30 1pwq s VAL 550 N -0.99 0.16 -0.17 2.92 -7.23 -0.42 -4.70 120.40 109.98 1pwq s VAL 550 Ca 0.44 -1.28 -0.36 0.00 -1.81 0.00 0.00 61.98 58.97 1pwq s VAL 550 Cb -0.30 -1.20 -0.13 0.00 0.56 0.00 0.00 36.38 35.31 1pwq s VAL 550 CO 0.37 -0.71 1.84 -2.65 -0.31 0.00 0.00 175.10 173.65 1pwq n PRO 551 N 0.31 1.78 -0.18 4.82 -0.02 -1.26 -1.30 135.00 139.15 1pwq n PRO 551 Ca -0.16 0.65 -0.04 0.00 -2.02 0.00 0.00 63.50 61.93 1pwq n PRO 551 Cb 0.60 -2.45 0.02 0.00 -0.02 0.00 0.00 33.50 31.66 1pwq n PRO 551 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1pwq h LYS 552 N 8.57 -0.12 0.00 -0.52 3.64 -1.86 -0.74 116.57 125.55 1pwq h LYS 552 Ca -0.47 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1pwq h LYS 552 Cb 1.29 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 1pwq h LYS 552 CO 0.96 -0.08 0.00 -1.13 -2.27 0.00 0.00 179.45 176.93 1pwq n SER 553 N -5.43 0.00 -0.00 4.20 3.41 -1.26 0.19 113.62 114.73 1pwq n SER 553 Ca 0.05 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.68 1pwq n SER 553 Cb 0.34 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.25 1pwq n SER 553 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1pwq n LYS 554 N -0.08 1.00 -0.04 4.33 4.81 -0.28 -4.54 118.16 123.35 1pwq n LYS 554 Ca 0.00 -0.04 -0.21 0.00 -0.87 0.00 0.00 58.31 57.19 1pwq n LYS 554 Cb 0.00 -1.05 -0.13 0.00 0.02 0.00 0.00 35.03 33.87 1pwq n LYS 554 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 1pwq h ILE 555 N 0.00 0.94 -0.67 3.15 2.04 0.20 -3.26 117.51 119.91 1pwq h ILE 555 Ca 0.00 -2.29 0.13 0.00 1.00 0.00 0.00 64.86 63.70 1pwq h ILE 555 Cb 0.20 2.51 -0.10 0.00 -0.74 0.00 0.00 36.82 38.69 1pwq h ILE 555 CO 0.00 0.58 0.16 0.44 0.00 0.00 0.00 178.15 179.33 1pwq h ASP 556 N -0.55 0.03 -0.51 1.72 5.19 -1.83 0.18 116.42 120.67 1pwq h ASP 556 Ca -0.33 0.12 0.10 0.00 -0.62 0.00 0.00 57.03 56.30 1pwq h ASP 556 Cb 1.59 0.16 -0.10 0.00 0.18 0.00 0.00 39.33 41.16 1pwq h ASP 556 CO -0.05 0.00 -0.24 0.74 -3.12 0.00 0.00 179.24 176.57 1pwq h THR 557 N 0.28 0.31 -0.89 0.35 2.02 -1.80 1.05 112.91 114.23 1pwq h THR 557 Ca 0.36 0.00 0.24 0.00 0.77 0.00 0.00 66.41 67.78 1pwq h THR 557 Cb 0.57 0.31 -0.14 0.00 -1.74 0.00 0.00 68.15 67.14 1pwq h THR 557 CO -0.44 0.00 0.29 0.11 0.37 0.00 0.00 175.52 175.84 1pwq h LYS 558 N -0.13 0.23 0.46 6.66 1.79 -0.69 -0.88 116.57 124.01 1pwq h LYS 558 Ca 0.23 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.67 1pwq h LYS 558 Cb 0.49 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.09 1pwq h LYS 558 CO -0.59 0.15 -0.22 0.82 -1.08 0.00 0.00 179.45 178.54 1pwq h ILE 559 N 0.24 0.00 -1.09 1.86 1.08 0.15 -0.76 117.51 118.98 1pwq h ILE 559 Ca 0.57 -0.40 0.32 0.00 -0.39 0.00 0.00 64.86 64.96 1pwq h ILE 559 Cb 1.17 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.87 1pwq h ILE 559 CO -0.64 0.00 0.97 0.06 -0.69 0.00 0.00 178.15 177.85 1pwq h GLN 560 N -1.02 0.00 0.08 2.37 3.07 0.26 1.20 115.11 121.07 1pwq h GLN 560 Ca -0.06 0.00 -0.24 0.00 0.09 0.00 0.00 58.65 58.44 1pwq h GLN 560 Cb 0.47 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.02 1pwq h GLN 560 CO 0.10 0.00 -1.23 0.93 0.09 0.00 0.00 178.83 178.72 1pwq h GLU 561 N 0.00 0.18 -0.88 0.06 5.08 -1.17 -3.17 114.58 114.69 1pwq h GLU 561 Ca 0.52 -0.30 0.08 0.00 -1.00 0.00 0.00 59.36 58.66 1pwq h GLU 561 Cb 2.45 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 31.75 1pwq h GLU 561 CO -0.01 1.14 0.57 0.00 -1.00 0.00 0.00 179.01 179.72 1pwq h ALA 562 N -0.11 1.60 -0.52 3.43 0.00 0.26 0.15 119.26 124.07 1pwq h ALA 562 Ca -0.28 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1pwq h ALA 562 Cb 1.60 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 1pwq h ALA 562 CO 0.01 0.24 0.22 0.37 0.00 0.00 0.00 179.25 180.09 1pwq h GLN 563 N 0.92 0.76 0.11 0.00 4.15 0.54 -1.22 115.11 120.38 1pwq h GLN 563 Ca 0.39 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.69 1pwq h GLN 563 Cb 0.31 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 1pwq h GLN 563 CO -0.16 0.66 -0.12 1.25 -1.93 0.00 0.00 178.83 178.54 1pwq h LEU 564 N 0.69 -0.31 -1.89 -2.39 6.46 -0.81 -1.08 115.31 115.99 1pwq h LEU 564 Ca 0.17 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.97 1pwq h LEU 564 Cb 0.17 0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.21 1pwq h LEU 564 CO -0.02 -0.18 0.00 -1.13 -0.62 0.00 0.00 178.44 176.49 1pwq h ASN 565 N -0.26 0.00 0.20 1.25 -0.73 -0.56 0.86 115.58 116.34 1pwq h ASN 565 Ca 0.01 0.00 -0.35 0.00 1.87 0.00 0.00 56.30 57.83 1pwq h ASN 565 Cb 0.25 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.81 1pwq h ASN 565 CO -0.04 0.00 -1.98 0.00 -0.37 0.00 0.00 177.43 175.04 1pwq n ILE 566 N -2.87 1.71 -0.15 2.57 3.06 -0.49 -2.92 119.36 120.27 1pwq n ILE 566 Ca -0.01 -0.69 -0.10 0.00 -2.50 0.00 0.00 62.75 59.46 1pwq n ILE 566 Cb 0.18 -1.51 0.04 0.00 0.54 0.00 0.00 39.64 38.89 1pwq n ILE 566 CO 0.00 0.00 0.00 0.78 -2.50 0.00 0.00 176.55 174.83 1pwq h ASN 567 N 0.05 0.96 -0.41 9.51 2.35 -0.96 0.17 115.58 127.24 1pwq h ASN 567 Ca -0.41 -0.34 -0.01 0.00 -0.55 0.00 0.00 56.30 55.00 1pwq h ASN 567 Cb 2.03 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 40.11 1pwq h ASN 567 CO 0.07 1.11 0.22 -0.61 -1.65 0.00 0.00 177.43 176.57 1pwq h GLN 568 N 0.84 0.57 0.43 0.81 4.15 -0.97 -2.22 115.11 118.72 1pwq h GLN 568 Ca 0.12 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 59.45 1pwq h GLN 568 Cb 0.72 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.30 1pwq h GLN 568 CO 0.06 0.46 -0.21 1.49 -1.93 0.00 0.00 178.83 178.70 1pwq h GLU 569 N 0.53 -0.56 0.00 1.69 4.81 -1.38 -3.20 114.58 116.46 1pwq h GLU 569 Ca 0.14 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1pwq h GLU 569 Cb 0.06 0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1pwq h GLU 569 CO -0.02 -0.29 0.00 0.91 -0.73 0.00 0.00 179.01 178.88 1pwq n TRP 570 N -5.18 0.00 0.09 0.92 7.02 0.03 -2.51 117.44 117.81 1pwq n TRP 570 Ca -0.09 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.30 1pwq n TRP 570 Cb 0.27 -0.35 -0.06 0.00 -2.42 0.00 0.00 31.31 28.76 1pwq n TRP 570 CO 0.00 0.00 0.00 -0.91 -2.02 0.00 0.00 177.69 174.76 1pwq h ASN 571 N 0.00 -0.26 -0.91 -0.99 -0.26 -1.39 -2.89 115.58 108.88 1pwq h ASN 571 Ca 0.00 -0.22 0.10 0.00 -0.56 0.00 0.00 56.30 55.62 1pwq h ASN 571 Cb 0.08 0.07 -0.07 0.00 -1.06 0.00 0.00 38.32 37.34 1pwq h ASN 571 CO 0.00 0.26 0.59 0.07 -1.06 0.00 0.00 177.43 177.29 1pwq h LYS 572 N -0.97 0.88 -0.78 0.81 2.10 -1.57 -2.18 116.57 114.86 1pwq h LYS 572 Ca -0.03 -0.05 0.02 0.00 -2.00 0.00 0.00 60.65 58.59 1pwq h LYS 572 Cb 0.46 -0.20 -0.04 0.00 -0.90 0.00 0.00 32.23 31.55 1pwq h LYS 572 CO 0.05 0.58 0.50 0.00 -2.00 0.00 0.00 179.45 178.59 1pwq h ALA 573 N 1.55 1.00 -0.31 0.07 0.00 -1.54 -0.85 119.26 119.17 1pwq h ALA 573 Ca 0.43 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1pwq h ALA 573 Cb 0.43 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1pwq h ALA 573 CO -0.19 0.35 0.00 1.28 0.00 0.00 0.00 179.25 180.69 1pwq n LEU 574 N -4.58 1.76 -3.69 0.00 4.77 -1.00 -4.90 117.00 109.36 1pwq n LEU 574 Ca 0.08 -0.88 -0.23 0.00 -0.03 0.00 0.00 56.01 54.96 1pwq n LEU 574 Cb 0.05 -0.23 0.04 0.00 -2.33 0.00 0.00 43.42 40.96 1pwq n LEU 574 CO 0.35 0.42 0.02 0.61 -1.33 0.00 0.00 177.39 177.46 1pwq n GLY 575 N 0.97 -0.36 3.90 -0.72 0.00 -0.33 -4.81 105.19 103.85 1pwq n GLY 575 Ca 0.11 0.15 -0.20 0.00 0.00 0.00 0.00 46.02 46.07 1pwq n GLY 575 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pwq s LEU 576 N -6.80 3.49 1.13 0.99 1.43 -0.86 -5.04 118.68 113.02 1pwq s LEU 576 Ca 0.18 -0.64 -0.15 0.00 -1.03 0.00 0.00 54.13 52.50 1pwq s LEU 576 Cb -0.09 -2.22 0.21 0.00 0.03 0.00 0.00 46.19 44.12 1pwq s LEU 576 CO 0.80 -0.63 0.66 -2.65 0.23 0.00 0.00 176.35 174.75 1pwq n PRO 577 N -1.59 -1.96 -2.81 1.29 -0.02 -1.26 -4.65 135.00 124.00 1pwq n PRO 577 Ca 0.04 -0.54 -0.25 0.00 -2.02 0.00 0.00 63.50 60.73 1pwq n PRO 577 Cb 0.61 -2.01 0.01 0.00 -0.02 0.00 0.00 33.50 32.09 1pwq n PRO 577 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1pwq s LYS 578 N -4.05 3.18 0.00 -0.52 2.20 -1.26 -4.03 119.74 115.25 1pwq s LYS 578 Ca 0.64 -0.20 0.00 0.00 -0.36 0.00 0.00 55.97 56.04 1pwq s LYS 578 Cb -0.21 -2.46 0.00 0.00 -1.51 0.00 0.00 37.83 33.65 1pwq s LYS 578 CO 0.65 -0.32 0.00 0.66 -0.36 0.00 0.00 175.35 175.99 1pwq n TYR 579 N -2.21 0.00 -2.37 4.03 0.53 -1.26 -4.96 117.16 110.93 1pwq n TYR 579 Ca 0.01 0.00 -0.37 0.00 -1.02 0.00 0.00 57.90 56.53 1pwq n TYR 579 Cb 0.57 -1.17 -0.02 0.00 -1.03 0.00 0.00 39.34 37.69 1pwq n TYR 579 CO 0.00 0.00 0.00 0.99 -1.02 0.00 0.00 176.86 176.83 1pwq s THR 580 N -1.61 3.35 -0.55 -0.72 2.01 -1.26 -5.01 115.64 111.85 1pwq s THR 580 Ca 0.00 1.00 -0.01 0.00 0.31 0.00 0.00 61.69 62.99 1pwq s THR 580 Cb 0.00 -3.50 0.14 0.00 0.01 0.00 0.00 72.50 69.15 1pwq s THR 580 CO 0.00 -0.02 0.33 -0.54 -0.69 0.00 0.00 174.62 173.70 1pwq s LYS 581 N -2.68 2.26 -0.25 4.92 1.02 -1.26 -4.88 119.74 118.87 1pwq s LYS 581 Ca 0.62 -2.42 -0.13 0.00 0.02 0.00 0.00 55.97 54.06 1pwq s LYS 581 Cb -0.26 -3.57 -0.11 0.00 -0.52 0.00 0.00 37.83 33.38 1pwq s LYS 581 CO 0.31 -1.13 -0.34 -0.11 -0.92 0.00 0.00 175.35 173.17 1pwq n LEU 582 N 3.58 1.84 -4.87 3.17 7.94 -1.26 -4.80 117.00 122.62 1pwq n LEU 582 Ca 0.05 0.32 -0.32 0.00 -1.11 0.00 0.00 56.01 54.96 1pwq n LEU 582 Cb 0.37 -0.76 -0.05 0.00 0.53 0.00 0.00 43.42 43.50 1pwq n LEU 582 CO 0.33 0.47 0.35 -0.63 -1.11 0.00 0.00 177.39 176.80 1pwq s ILE 583 N -2.51 4.80 -0.16 1.96 1.01 -1.26 0.41 121.20 125.45 1pwq s ILE 583 Ca -0.36 0.68 -0.07 0.00 0.00 0.00 0.00 60.65 60.91 1pwq s ILE 583 Cb 0.13 -3.64 0.07 0.00 0.01 0.00 0.00 42.46 39.03 1pwq s ILE 583 CO 0.45 -0.23 0.35 -0.89 0.00 0.00 0.00 174.94 174.63 1pwq s THR 584 N -2.02 -0.37 -0.26 2.92 2.01 -0.31 -4.85 115.64 112.77 1pwq s THR 584 Ca 0.51 0.18 -0.13 0.00 0.31 0.00 0.00 61.69 62.56 1pwq s THR 584 Cb -0.11 -0.56 -0.04 0.00 0.01 0.00 0.00 72.50 71.81 1pwq s THR 584 CO 0.22 0.08 0.29 -0.36 -0.69 0.00 0.00 174.62 174.15 1pwq s PHE 585 N 2.12 3.27 -0.63 4.92 2.99 -1.26 -1.89 117.98 127.49 1pwq s PHE 585 Ca -0.04 0.33 0.06 0.00 0.00 0.00 0.00 56.93 57.28 1pwq s PHE 585 Cb -0.11 -2.46 0.22 0.00 0.00 0.00 0.00 43.02 40.67 1pwq s PHE 585 CO -0.11 -0.13 0.64 0.09 -0.00 0.00 0.00 175.22 175.72 1pwq n ASN 586 N 4.95 3.14 -4.88 1.36 3.02 -0.66 -4.99 115.26 117.18 1pwq n ASN 586 Ca -0.11 -3.28 -0.32 0.00 -0.03 0.00 0.00 54.58 50.83 1pwq n ASN 586 Cb 0.51 -0.69 -0.05 0.00 -0.61 0.00 0.00 39.78 38.94 1pwq n ASN 586 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1pwq s VAL 587 N -2.00 5.25 0.00 2.41 1.01 -1.26 -2.92 120.40 122.89 1pwq s VAL 587 Ca 0.35 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.99 1pwq s VAL 587 Cb 0.09 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.97 1pwq s VAL 587 CO -0.07 0.23 0.00 1.41 0.00 0.00 0.00 175.10 176.67 1pwq n HIS 588 N 0.66 0.00 -2.23 5.22 8.25 -1.26 -4.99 115.22 120.86 1pwq n HIS 588 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 1pwq n HIS 588 Cb 0.52 0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.64 1pwq n HIS 588 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1pwq n ASN 589 N 0.00 0.00 0.00 0.41 5.03 -1.26 -4.00 115.26 115.44 1pwq n ASN 589 Ca 0.00 -0.36 0.12 0.00 0.87 0.00 0.00 54.58 55.21 1pwq n ASN 589 Cb 0.05 0.00 0.72 0.00 -1.02 0.00 0.00 39.78 39.52 1pwq n ASN 589 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1pwq n ARG 590 N -0.36 0.67 -1.71 3.52 5.12 -0.32 -1.02 116.66 122.56 1pwq n ARG 590 Ca 0.00 0.02 -0.03 0.00 -1.93 0.00 0.00 57.85 55.90 1pwq n ARG 590 Cb 0.00 -1.50 0.08 0.00 -1.16 0.00 0.00 32.46 29.88 1pwq n ARG 590 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 1pwq n TYR 591 N -1.08 0.99 0.00 -1.55 9.36 -1.26 -4.62 117.16 119.01 1pwq n TYR 591 Ca 0.17 -1.59 0.00 0.00 3.32 0.00 0.00 57.90 59.80 1pwq n TYR 591 Cb 0.12 -0.24 0.00 0.00 -0.63 0.00 0.00 39.34 38.58 1pwq n TYR 591 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1pwq n ALA 592 N -0.49 0.00 0.00 2.98 0.00 -1.21 -2.04 120.51 119.75 1pwq n ALA 592 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1pwq n ALA 592 Cb 0.90 0.11 0.00 0.00 0.00 0.00 0.00 19.45 20.46 1pwq n ALA 592 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1pwq n SER 593 N -0.57 0.00 0.07 0.00 2.88 -1.02 0.41 113.62 115.38 1pwq n SER 593 Ca 0.00 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.48 1pwq n SER 593 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1pwq n SER 593 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 1pwq h ASN 594 N 0.00 -0.52 -0.63 -3.46 -0.73 -1.32 -2.40 115.58 106.52 1pwq h ASN 594 Ca 0.00 0.05 0.16 0.00 1.87 0.00 0.00 56.30 58.37 1pwq h ASN 594 Cb 0.00 0.18 -0.12 0.00 0.27 0.00 0.00 38.32 38.65 1pwq h ASN 594 CO 0.00 -0.21 -0.05 -0.38 -0.37 0.00 0.00 177.43 176.42 1pwq n ILE 595 N -3.44 -0.27 0.43 2.57 2.08 0.17 0.16 119.36 121.07 1pwq n ILE 595 Ca -0.03 1.41 -0.17 0.00 0.56 0.00 0.00 62.75 64.51 1pwq n ILE 595 Cb 0.15 -2.02 -0.08 0.00 -0.75 0.00 0.00 39.64 36.94 1pwq n ILE 595 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 1pwq h VAL 596 N 0.00 0.00 -0.86 1.39 2.07 -1.11 -2.99 116.25 114.75 1pwq h VAL 596 Ca 0.35 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.85 1pwq h VAL 596 Cb 0.67 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 1pwq h VAL 596 CO -0.61 0.00 0.46 -0.33 0.02 0.00 0.00 177.57 177.11 1pwq h GLU 597 N -1.12 1.21 0.00 1.57 4.39 0.21 -2.50 114.58 118.34 1pwq h GLU 597 Ca -0.11 -0.15 -0.02 0.00 0.34 0.00 0.00 59.36 59.42 1pwq h GLU 597 Cb 0.87 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 29.28 1pwq h GLU 597 CO 0.17 0.90 -0.07 0.66 -1.16 0.00 0.00 179.01 179.50 1pwq h SER 598 N 1.22 0.00 -0.61 1.42 4.64 -0.99 -1.94 113.55 117.29 1pwq h SER 598 Ca 0.30 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.70 1pwq h SER 598 Cb 0.05 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.10 1pwq h SER 598 CO -0.05 0.07 0.40 0.00 -0.87 0.00 0.00 176.83 176.39 1pwq h ALA 599 N 1.93 1.91 -0.34 5.18 0.00 -1.28 0.15 119.26 126.80 1pwq h ALA 599 Ca -0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1pwq h ALA 599 Cb 0.28 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1pwq h ALA 599 CO 0.01 -0.02 -0.13 1.88 0.00 0.00 0.00 179.25 180.98 1pwq h TYR 600 N 0.50 0.78 0.66 0.00 -1.99 -1.47 -2.90 116.97 112.56 1pwq h TYR 600 Ca 0.27 -0.19 -0.03 0.00 2.00 0.00 0.00 58.73 60.78 1pwq h TYR 600 Cb 0.41 -0.18 0.01 0.00 2.00 0.00 0.00 36.73 38.96 1pwq h TYR 600 CO -0.00 0.88 -0.33 -0.07 -0.00 0.00 0.00 178.16 178.64 1pwq h LEU 601 N 0.47 -0.78 -0.99 3.88 3.38 -1.14 -1.63 115.31 118.50 1pwq h LEU 601 Ca 0.08 0.03 0.33 0.00 0.09 0.00 0.00 57.88 58.41 1pwq h LEU 601 Cb 0.66 0.20 -0.18 0.00 0.09 0.00 0.00 40.66 41.43 1pwq h LEU 601 CO 0.04 -0.55 0.24 -0.38 0.09 0.00 0.00 178.44 177.88 1pwq n ILE 602 N -4.45 -0.42 0.21 1.22 5.41 0.35 0.29 119.36 121.98 1pwq n ILE 602 Ca -0.11 2.11 0.08 0.00 1.00 0.00 0.00 62.75 65.82 1pwq n ILE 602 Cb 0.36 -3.22 0.41 0.00 -0.71 0.00 0.00 39.64 36.48 1pwq n ILE 602 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1pwq h LEU 603 N 0.00 0.00 -0.11 1.39 3.38 -1.31 -2.98 115.31 115.68 1pwq h LEU 603 Ca 0.70 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.55 1pwq h LEU 603 Cb 1.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.41 1pwq h LEU 603 CO -0.86 0.30 -0.41 0.78 0.09 0.00 0.00 178.44 178.34 1pwq h ASN 604 N 0.00 0.56 -0.06 -0.43 4.21 0.54 -2.66 115.58 117.74 1pwq h ASN 604 Ca -0.00 -0.62 -0.04 0.00 1.21 0.00 0.00 56.30 56.85 1pwq h ASN 604 Cb 0.79 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 37.82 1pwq h ASN 604 CO 0.04 1.08 -0.06 -0.33 -1.29 0.00 0.00 177.43 176.87 1pwq h GLU 605 N 0.07 0.28 0.28 0.81 4.39 -1.33 -0.98 114.58 118.10 1pwq h GLU 605 Ca -0.02 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1pwq h GLU 605 Cb 1.04 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.61 1pwq h GLU 605 CO 0.09 0.36 -0.52 2.35 -1.16 0.00 0.00 179.01 180.13 1pwq h TRP 606 N 0.27 -1.49 0.00 4.33 7.01 -1.35 -2.17 115.95 122.55 1pwq h TRP 606 Ca 0.06 0.03 -0.05 0.00 2.11 0.00 0.00 58.89 61.04 1pwq h TRP 606 Cb 0.29 0.61 -0.01 0.00 -2.10 0.00 0.00 29.16 27.96 1pwq h TRP 606 CO 0.01 -0.63 -0.24 -0.22 -2.79 0.00 0.00 178.44 174.56 1pwq h LYS 607 N -0.86 0.00 0.00 2.65 3.64 -1.19 -2.74 116.57 118.06 1pwq h LYS 607 Ca -0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1pwq h LYS 607 Cb 0.81 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1pwq h LYS 607 CO -0.20 0.24 0.00 0.09 -2.27 0.00 0.00 179.45 177.31 1pwq n ASN 608 N -3.38 0.00 0.04 4.20 4.13 -0.40 -4.38 115.26 115.48 1pwq n ASN 608 Ca 0.00 -0.99 0.00 0.00 1.68 0.00 0.00 54.58 55.28 1pwq n ASN 608 Cb 0.45 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.69 1pwq n ASN 608 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1pwq n ASN 609 N -0.93 0.35 -4.73 6.41 5.03 -0.91 -5.03 115.26 115.45 1pwq n ASN 609 Ca 0.18 0.14 -0.42 0.00 0.87 0.00 0.00 54.58 55.35 1pwq n ASN 609 Cb 0.08 -0.04 -0.02 0.00 -1.02 0.00 0.00 39.78 38.78 1pwq n ASN 609 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1pwq s ILE 610 N -1.53 2.40 -0.03 2.41 1.09 -1.06 -4.86 121.20 119.62 1pwq s ILE 610 Ca 0.00 0.31 -0.40 0.00 -1.10 0.00 0.00 60.65 59.46 1pwq s ILE 610 Cb 0.00 -3.20 -0.19 0.00 -1.06 0.00 0.00 42.46 38.01 1pwq s ILE 610 CO 0.00 0.04 1.16 1.67 -0.10 0.00 0.00 174.94 177.71 1pwq n GLN 611 N 3.02 0.19 -0.31 2.79 0.00 -1.26 -4.78 117.38 117.03 1pwq n GLN 611 Ca 0.11 0.07 0.13 0.00 -0.00 0.00 0.00 57.00 57.31 1pwq n GLN 611 Cb 0.38 -1.59 0.36 0.00 0.00 0.00 0.00 30.24 29.39 1pwq n GLN 611 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1pwq h SER 612 N 3.45 0.69 1.50 1.69 0.87 -1.89 -1.41 113.55 118.45 1pwq h SER 612 Ca -0.50 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.11 1pwq h SER 612 Cb 1.41 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 63.30 1pwq h SER 612 CO 0.70 0.30 -0.05 0.44 -0.53 0.00 0.00 176.83 177.68 1pwq h ASP 613 N 0.70 0.00 -0.15 6.23 5.19 -1.99 -3.16 116.42 123.24 1pwq h ASP 613 Ca 0.52 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 56.73 1pwq h ASP 613 Cb 0.87 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.39 1pwq h ASP 613 CO -0.28 0.05 -0.67 0.25 -3.12 0.00 0.00 179.24 175.47 1pwq h LEU 614 N 0.00 0.85 0.04 1.55 5.85 -1.60 -2.51 115.31 119.49 1pwq h LEU 614 Ca -0.00 -0.62 -0.00 0.00 0.84 0.00 0.00 57.88 58.09 1pwq h LEU 614 Cb 0.82 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.60 1pwq h LEU 614 CO 0.01 1.33 -0.04 0.40 -0.34 0.00 0.00 178.44 179.80 1pwq h ILE 615 N 0.42 0.00 -0.04 4.05 1.08 -1.49 0.42 117.51 121.95 1pwq h ILE 615 Ca -0.04 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.43 1pwq h ILE 615 Cb 1.30 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 35.05 1pwq h ILE 615 CO 0.14 0.00 -0.04 0.11 -0.69 0.00 0.00 178.15 177.67 1pwq h LYS 616 N -0.09 -0.01 -0.99 2.37 1.57 -1.65 0.46 116.57 118.23 1pwq h LYS 616 Ca -0.01 0.00 0.30 0.00 -1.87 0.00 0.00 60.65 59.07 1pwq h LYS 616 Cb 0.07 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.24 1pwq h LYS 616 CO -0.00 -0.01 0.53 0.87 -0.57 0.00 0.00 179.45 180.27 1pwq h LYS 617 N -0.02 0.34 0.07 3.15 1.79 -1.47 0.66 116.57 121.09 1pwq h LYS 617 Ca 0.01 -0.02 -0.15 0.00 -2.18 0.00 0.00 60.65 58.31 1pwq h LYS 617 Cb 0.03 -0.08 0.02 0.00 -1.58 0.00 0.00 32.23 30.62 1pwq h LYS 617 CO -0.05 0.23 -0.62 0.28 -1.08 0.00 0.00 179.45 178.21 1pwq h VAL 618 N 0.35 1.51 0.00 0.50 2.07 0.22 -3.26 116.25 117.65 1pwq h VAL 618 Ca 0.70 -2.31 -0.02 0.00 0.82 0.00 0.00 66.70 65.89 1pwq h VAL 618 Cb 1.52 2.98 -0.00 0.00 -1.52 0.00 0.00 31.29 34.27 1pwq h VAL 618 CO -0.59 0.65 -0.09 0.74 0.02 0.00 0.00 177.57 178.30 1pwq h THR 619 N -0.35 0.50 0.00 2.57 2.02 0.69 0.17 112.91 118.51 1pwq h THR 619 Ca -0.10 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 66.64 1pwq h THR 619 Cb 1.41 1.29 0.00 0.00 -1.74 0.00 0.00 68.15 69.12 1pwq h THR 619 CO 0.12 0.09 0.00 -3.20 0.37 0.00 0.00 175.52 172.90 1pwq n ASN 620 N -3.60 0.28 0.01 4.18 2.85 0.15 -1.47 115.26 117.66 1pwq n ASN 620 Ca -0.02 0.55 -0.19 0.00 -0.11 0.00 0.00 54.58 54.81 1pwq n ASN 620 Cb 0.21 -0.61 -0.14 0.00 1.24 0.00 0.00 39.78 40.48 1pwq n ASN 620 CO 0.00 0.00 0.00 0.22 -2.11 0.00 0.00 177.26 175.37 1pwq h TYR 621 N 0.00 0.39 -0.68 1.20 3.20 -1.03 -3.13 116.97 116.92 1pwq h TYR 621 Ca 0.00 -0.28 -0.02 0.00 3.14 0.00 0.00 58.73 61.56 1pwq h TYR 621 Cb 0.44 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.67 1pwq h TYR 621 CO 0.00 1.26 0.32 -0.07 -1.64 0.00 0.00 178.16 178.04 1pwq h LEU 622 N -0.54 0.88 -1.55 2.82 3.38 -1.35 -2.03 115.31 116.92 1pwq h LEU 622 Ca -0.13 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1pwq h LEU 622 Cb 1.49 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1pwq h LEU 622 CO 0.10 0.77 0.00 0.58 0.09 0.00 0.00 178.44 179.97 1pwq h VAL 623 N 0.94 0.00 -0.04 1.22 2.07 -1.38 0.49 116.25 119.55 1pwq h VAL 623 Ca 0.23 -0.47 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 1pwq h VAL 623 Cb 0.12 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1pwq h VAL 623 CO -0.03 0.00 -0.11 -0.78 0.02 0.00 0.00 177.57 176.67 1pwq h ASP 624 N 0.00 0.16 -0.13 0.57 3.58 -1.31 -2.86 116.42 116.43 1pwq h ASP 624 Ca 0.00 -0.62 0.00 0.00 0.42 0.00 0.00 57.03 56.83 1pwq h ASP 624 Cb 0.48 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.48 1pwq h ASP 624 CO 0.00 0.75 0.00 0.61 -2.88 0.00 0.00 179.24 177.72 1pwq n GLY 625 N 0.59 -0.22 2.70 -0.78 0.00 -1.10 -4.89 105.19 101.50 1pwq n GLY 625 Ca -0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 46.02 45.78 1pwq n GLY 625 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1pwq n ASN 626 N -0.09 -6.60 -0.70 1.61 2.85 -0.99 -4.91 115.26 106.44 1pwq n ASN 626 Ca 0.05 0.02 0.00 0.00 -0.11 0.00 0.00 54.58 54.53 1pwq n ASN 626 Cb 0.14 -4.41 0.00 0.00 1.24 0.00 0.00 39.78 36.74 1pwq n ASN 626 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1pwq n GLY 627 N -1.42 1.45 3.64 8.20 0.00 0.17 -4.90 105.19 112.34 1pwq n GLY 627 Ca 0.01 -1.98 -0.04 0.00 0.00 0.00 0.00 46.02 44.01 1pwq n GLY 627 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pwq s ARG 628 N 1.89 0.33 -0.29 1.61 1.81 -1.24 -4.80 118.95 118.25 1pwq s ARG 628 Ca 0.00 0.48 -0.18 0.00 -1.72 0.00 0.00 55.73 54.31 1pwq s ARG 628 Cb 0.00 0.11 -0.02 0.00 -0.45 0.00 0.00 34.95 34.59 1pwq s ARG 628 CO 0.00 -0.05 0.53 -0.06 -0.68 0.00 0.00 175.30 175.04 1pwq s PHE 629 N 0.77 3.23 -0.21 -0.53 2.99 0.17 -2.68 117.98 121.72 1pwq s PHE 629 Ca -0.03 0.51 -0.06 0.00 0.00 0.00 0.00 56.93 57.36 1pwq s PHE 629 Cb -0.04 -2.82 -0.03 0.00 0.00 0.00 0.00 43.02 40.14 1pwq s PHE 629 CO -0.12 -0.38 0.02 0.08 -0.00 0.00 0.00 175.22 174.82 1pwq s VAL 630 N 2.38 4.11 -0.35 -0.44 1.01 -1.15 -1.17 120.40 124.79 1pwq s VAL 630 Ca 0.21 -0.26 -0.03 0.00 0.00 0.00 0.00 61.98 61.90 1pwq s VAL 630 Cb -0.15 -2.87 0.07 0.00 0.00 0.00 0.00 36.38 33.43 1pwq s VAL 630 CO 0.11 0.41 0.10 -0.36 0.00 0.00 0.00 175.10 175.36 1pwq s PHE 631 N 1.04 3.38 0.31 5.22 0.40 -0.79 -0.15 117.98 127.39 1pwq s PHE 631 Ca 0.03 -1.95 0.05 0.00 -0.60 0.00 0.00 56.93 54.46 1pwq s PHE 631 Cb -0.14 -2.56 -0.06 0.00 0.51 0.00 0.00 43.02 40.77 1pwq s PHE 631 CO 0.02 -0.85 0.02 -0.08 0.70 0.00 0.00 175.22 175.03 1pwq s THR 632 N 1.25 1.38 -0.09 0.64 -1.32 -0.76 -1.66 115.64 115.09 1pwq s THR 632 Ca 0.00 -2.04 0.14 0.00 -1.21 0.00 0.00 61.69 58.59 1pwq s THR 632 Cb -0.21 -2.68 0.28 0.00 -1.51 0.00 0.00 72.50 68.39 1pwq s THR 632 CO -0.01 -0.11 1.13 -0.90 -2.21 0.00 0.00 174.62 172.52 1pwq n ASP 633 N -0.66 1.27 -4.08 8.08 5.75 -1.15 -2.10 116.55 123.66 1pwq n ASP 633 Ca -0.04 -2.75 -0.14 0.00 -0.01 0.00 0.00 54.79 51.85 1pwq n ASP 633 Cb 0.65 -0.37 -0.12 0.00 -1.03 0.00 0.00 41.12 40.26 1pwq n ASP 633 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 1pwq s ILE 634 N -1.53 0.63 0.24 2.12 -4.36 -1.26 -4.65 121.20 112.39 1pwq s ILE 634 Ca 0.26 -1.10 -0.30 0.00 -0.26 0.00 0.00 60.65 59.25 1pwq s ILE 634 Cb 0.26 -0.68 -0.14 0.00 1.25 0.00 0.00 42.46 43.15 1pwq s ILE 634 CO -0.05 -0.35 1.14 0.35 0.24 0.00 0.00 174.94 176.27 1pwq n THR 635 N 1.46 1.44 -0.24 8.37 -2.24 -1.02 -4.86 114.28 117.21 1pwq n THR 635 Ca -0.22 -0.36 0.09 0.00 -2.27 0.00 0.00 64.05 61.29 1pwq n THR 635 Cb 0.55 -1.05 0.36 0.00 -2.10 0.00 0.00 70.33 68.08 1pwq n THR 635 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1pwq h LEU 636 N 2.86 0.68 -1.28 3.22 4.07 -1.90 -1.80 115.31 121.16 1pwq h LEU 636 Ca -0.42 0.02 0.45 0.00 0.08 0.00 0.00 57.88 58.01 1pwq h LEU 636 Cb 1.33 -0.12 -0.15 0.00 1.08 0.00 0.00 40.66 42.80 1pwq h LEU 636 CO 0.66 0.39 0.78 -0.65 -1.08 0.00 0.00 178.44 178.54 1pwq h PRO 637 N 0.74 0.04 -0.56 1.13 0.11 -1.89 1.66 132.00 133.23 1pwq h PRO 637 Ca 0.39 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.50 1pwq h PRO 637 Cb 0.50 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.60 1pwq h PRO 637 CO -0.16 0.03 0.00 0.09 -0.21 0.00 0.00 178.00 177.75 1pwq n ASN 638 N -4.87 2.95 -4.44 -2.05 4.13 -0.68 -4.44 115.26 105.86 1pwq n ASN 638 Ca 0.39 -2.21 -0.44 0.00 1.68 0.00 0.00 54.58 54.00 1pwq n ASN 638 Cb 1.44 -0.42 -0.06 0.00 -1.54 0.00 0.00 39.78 39.20 1pwq n ASN 638 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1pwq s ILE 639 N -1.65 4.94 0.31 2.41 1.01 0.57 -4.93 121.20 123.86 1pwq s ILE 639 Ca 0.31 -0.59 0.18 0.00 0.00 0.00 0.00 60.65 60.55 1pwq s ILE 639 Cb 0.19 -4.27 0.30 0.00 0.01 0.00 0.00 42.46 38.69 1pwq s ILE 639 CO 0.16 -0.76 1.35 0.00 0.00 0.00 0.00 174.94 175.68 1pwq n ALA 640 N 6.00 0.87 0.00 9.38 0.00 -1.26 0.24 120.51 135.74 1pwq n ALA 640 Ca -0.08 0.87 0.00 0.00 0.00 0.00 0.00 53.44 54.23 1pwq n ALA 640 Cb 0.45 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.03 1pwq n ALA 640 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1pwq n GLU 641 N -4.93 0.00 0.00 0.00 -0.58 -1.26 -1.28 120.64 112.59 1pwq n GLU 641 Ca 0.32 0.24 0.00 0.00 -0.42 0.00 0.00 57.16 57.31 1pwq n GLU 641 Cb 1.09 -1.62 0.00 0.00 -0.57 0.00 0.00 31.44 30.34 1pwq n GLU 641 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 1pwq n GLN 642 N -1.20 0.00 0.12 3.49 7.27 0.66 -4.76 117.38 122.96 1pwq n GLN 642 Ca 0.00 0.00 0.11 0.00 0.07 0.00 0.00 57.00 57.18 1pwq n GLN 642 Cb 0.12 -0.56 0.47 0.00 2.41 0.00 0.00 30.24 32.68 1pwq n GLN 642 CO 0.00 0.00 0.00 2.48 0.07 0.00 0.00 177.06 179.61 1pwq n TYR 643 N -2.94 0.74 0.80 3.69 0.18 -0.97 -1.37 117.16 117.29 1pwq n TYR 643 Ca 0.00 0.28 0.10 0.00 1.88 0.00 0.00 57.90 60.17 1pwq n TYR 643 Cb 0.50 -0.96 0.48 0.00 -0.38 0.00 0.00 39.34 38.98 1pwq n TYR 643 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1pwq n THR 644 N -2.17 0.48 -0.40 -3.48 -2.24 -0.40 -3.04 114.28 103.03 1pwq n THR 644 Ca 0.02 0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 1pwq n THR 644 Cb 0.24 -0.75 0.00 0.00 -2.10 0.00 0.00 70.33 67.72 1pwq n THR 644 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1pwq n HIS 645 N -1.46 0.00 -2.43 4.78 8.25 -0.47 -5.02 115.22 118.86 1pwq n HIS 645 Ca 0.06 -0.25 -0.43 0.00 -0.26 0.00 0.00 57.72 56.84 1pwq n HIS 645 Cb 0.24 -0.02 -0.02 0.00 1.12 0.00 0.00 29.99 31.30 1pwq n HIS 645 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1pwq s GLN 646 N -0.50 3.85 0.00 -0.41 -0.21 -0.66 -4.97 119.66 116.77 1pwq s GLN 646 Ca 0.00 1.14 0.00 0.00 0.02 0.00 0.00 55.36 56.52 1pwq s GLN 646 Cb 0.00 -3.90 0.00 0.00 1.00 0.00 0.00 33.01 30.11 1pwq s GLN 646 CO 0.00 -1.20 0.79 -0.25 -2.12 0.00 0.00 175.29 172.51 1pwq n ASP 647 N 7.80 0.00 -4.51 5.90 9.92 -1.26 -4.76 116.55 129.64 1pwq n ASP 647 Ca 0.15 0.79 -0.28 0.00 -0.53 0.00 0.00 54.79 54.92 1pwq n ASP 647 Cb 0.47 -0.29 -0.11 0.00 -0.64 0.00 0.00 41.12 40.56 1pwq n ASP 647 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1pwq s GLU 648 N -2.15 1.85 0.54 -1.24 0.41 -1.26 -5.04 118.70 111.82 1pwq s GLU 648 Ca 0.00 -1.27 0.23 0.00 -0.41 0.00 0.00 54.97 53.52 1pwq s GLU 648 Cb 0.00 -2.09 1.43 0.00 -1.78 0.00 0.00 34.13 31.69 1pwq s GLU 648 CO 0.00 0.45 2.08 0.82 -0.49 0.00 0.00 175.26 178.11 1pwq h ILE 649 N 3.16 0.75 -0.00 -1.63 1.08 -1.91 -2.53 117.51 116.43 1pwq h ILE 649 Ca -0.48 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 63.99 1pwq h ILE 649 Cb 1.19 0.85 0.00 0.00 -3.07 0.00 0.00 36.82 35.79 1pwq h ILE 649 CO 0.50 0.00 -0.07 0.00 -0.69 0.00 0.00 178.15 177.89 1pwq n TYR 650 N -4.28 0.00 -0.40 1.37 0.18 -1.26 -3.60 117.16 109.16 1pwq n TYR 650 Ca 0.03 0.00 0.04 0.00 1.88 0.00 0.00 57.90 59.85 1pwq n TYR 650 Cb 0.36 -0.41 0.29 0.00 -0.38 0.00 0.00 39.34 39.20 1pwq n TYR 650 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 1pwq n GLU 651 N -1.42 3.79 -1.24 -3.48 1.02 -0.95 -4.86 120.64 113.49 1pwq n GLU 651 Ca 0.09 -2.31 -0.30 0.00 -0.02 0.00 0.00 57.16 54.61 1pwq n GLU 651 Cb 0.32 -2.06 0.12 0.00 -0.02 0.00 0.00 31.44 29.80 1pwq n GLU 651 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 1pwq s GLN 652 N -2.30 1.64 -0.02 3.49 1.03 -1.24 -4.97 119.66 117.29 1pwq s GLN 652 Ca 0.40 0.93 -0.00 0.00 0.04 0.00 0.00 55.36 56.73 1pwq s GLN 652 Cb 0.31 -1.84 0.02 0.00 0.03 0.00 0.00 33.01 31.52 1pwq s GLN 652 CO 0.11 -2.01 0.03 0.08 -2.54 0.00 0.00 175.29 170.97 1pwq s VAL 653 N -2.93 -0.04 -0.26 3.63 1.01 -1.26 -5.08 120.40 115.47 1pwq s VAL 653 Ca 0.62 0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.76 1pwq s VAL 653 Cb -0.17 -0.07 0.05 0.00 0.00 0.00 0.00 36.38 36.19 1pwq s VAL 653 CO 0.56 0.05 -0.10 -2.28 0.00 0.00 0.00 175.10 173.34 1pwq s HIS 654 N 0.67 3.23 0.00 5.22 5.04 -1.26 -3.89 115.29 124.29 1pwq s HIS 654 Ca -0.06 -2.19 0.00 0.00 -1.54 0.00 0.00 55.06 51.27 1pwq s HIS 654 Cb -0.08 -1.96 0.00 0.00 0.04 0.00 0.00 32.58 30.58 1pwq s HIS 654 CO -0.02 -0.86 0.00 -1.13 -2.34 0.00 0.00 174.74 170.39 1pwq n SER 655 N 4.48 0.76 0.09 9.88 3.41 -1.26 -5.04 113.62 125.93 1pwq n SER 655 Ca -0.14 -0.45 -0.23 0.00 -0.26 0.00 0.00 58.87 57.78 1pwq n SER 655 Cb 0.43 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.23 1pwq n SER 655 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1pwq h LYS 656 N 0.00 0.43 -3.99 4.33 1.63 -1.94 -3.43 116.57 113.60 1pwq h LYS 656 Ca 0.00 -0.73 -0.12 0.00 -0.85 0.00 0.00 60.65 58.95 1pwq h LYS 656 Cb 0.00 0.27 -0.12 0.00 -0.60 0.00 0.00 32.23 31.78 1pwq h LYS 656 CO 0.00 1.35 -0.33 0.20 -3.45 0.00 0.00 179.45 177.21 1pwq s GLY 657 N -5.00 0.74 -0.17 5.01 0.00 -1.26 0.12 107.32 106.76 1pwq s GLY 657 Ca -0.14 -1.09 -0.29 0.00 0.00 0.00 0.00 44.72 43.19 1pwq s GLY 657 CO 0.88 -0.92 0.92 -2.27 0.00 0.00 0.00 173.10 171.71 1pwq s LEU 658 N -3.03 -0.47 -0.12 0.66 0.20 0.21 -4.93 118.68 111.19 1pwq s LEU 658 Ca 0.24 0.62 0.02 0.00 0.69 0.00 0.00 54.13 55.70 1pwq s LEU 658 Cb 0.03 2.05 -0.00 0.00 -0.43 0.00 0.00 46.19 47.83 1pwq s LEU 658 CO 0.06 -0.36 -0.19 -0.47 -0.29 0.00 0.00 176.35 175.10 1pwq s TYR 659 N -0.79 2.69 -0.38 5.38 5.04 -1.26 0.82 117.35 128.86 1pwq s TYR 659 Ca -0.03 -0.96 -0.03 0.00 -2.44 0.00 0.00 57.07 53.61 1pwq s TYR 659 Cb -0.01 -1.80 0.09 0.00 0.35 0.00 0.00 41.96 40.59 1pwq s TYR 659 CO 0.02 -0.39 0.14 0.08 -1.34 0.00 0.00 175.55 174.06 1pwq s VAL 660 N 0.50 3.26 0.19 3.14 1.01 -1.25 -4.94 120.40 122.30 1pwq s VAL 660 Ca -0.12 -1.81 -0.10 0.00 0.00 0.00 0.00 61.98 59.95 1pwq s VAL 660 Cb -0.17 -3.11 0.11 0.00 0.00 0.00 0.00 36.38 33.21 1pwq s VAL 660 CO 0.05 -0.50 1.74 -0.65 0.00 0.00 0.00 175.10 175.74 1pwq h PRO 661 N 8.05 1.03 0.00 2.72 0.11 -1.95 1.99 132.00 143.95 1pwq h PRO 661 Ca -0.16 -0.20 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1pwq h PRO 661 Cb 1.05 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.00 1pwq h PRO 661 CO 0.65 0.87 0.32 0.39 -0.21 0.00 0.00 178.00 180.01 1pwq n GLU 662 N -4.37 0.08 0.00 1.05 4.71 -1.26 -1.28 120.64 119.57 1pwq n GLU 662 Ca 0.05 0.55 0.00 0.00 -0.01 0.00 0.00 57.16 57.75 1pwq n GLU 662 Cb 0.18 -2.09 0.00 0.00 -1.01 0.00 0.00 31.44 28.53 1pwq n GLU 662 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1pwq n SER 663 N -2.01 1.53 -3.39 1.62 7.64 -0.46 -5.03 113.62 113.51 1pwq n SER 663 Ca -0.01 -0.04 -0.18 0.00 1.01 0.00 0.00 58.87 59.66 1pwq n SER 663 Cb 0.34 0.38 0.07 0.00 -1.01 0.00 0.00 64.21 63.99 1pwq n SER 663 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1pwq n ARG 664 N -0.54 -4.05 -3.42 1.43 1.74 0.66 -4.06 116.66 108.41 1pwq n ARG 664 Ca 0.00 0.81 -0.18 0.00 -0.77 0.00 0.00 57.85 57.71 1pwq n ARG 664 Cb 0.00 -5.66 -0.10 0.00 -1.02 0.00 0.00 32.46 25.67 1pwq n ARG 664 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1pwq s SER 665 N -3.85 1.72 1.01 0.55 1.04 -1.01 -3.73 113.70 109.43 1pwq s SER 665 Ca 0.25 -0.68 -0.18 0.00 0.48 0.00 0.00 55.95 55.81 1pwq s SER 665 Cb -0.04 0.45 -0.06 0.00 0.10 0.00 0.00 66.02 66.47 1pwq s SER 665 CO 0.75 -0.38 -0.48 -0.38 0.98 0.00 0.00 173.24 173.73 1pwq n ILE 666 N 5.31 0.00 -3.70 -1.02 2.08 -1.09 -3.85 119.36 117.09 1pwq n ILE 666 Ca -0.03 -0.28 -0.11 0.00 0.56 0.00 0.00 62.75 62.89 1pwq n ILE 666 Cb 0.47 -0.28 -0.11 0.00 -0.75 0.00 0.00 39.64 38.96 1pwq n ILE 666 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 1pwq s LEU 667 N 3.85 -0.01 -0.17 1.39 1.43 0.24 -2.95 118.68 122.46 1pwq s LEU 667 Ca 0.47 0.78 -0.01 0.00 -1.03 0.00 0.00 54.13 54.34 1pwq s LEU 667 Cb -0.12 1.13 0.04 0.00 0.03 0.00 0.00 46.19 47.28 1pwq s LEU 667 CO 0.72 -0.19 -0.05 -0.22 0.23 0.00 0.00 176.35 176.84 1pwq s LEU 668 N 1.54 1.66 0.58 1.79 2.96 0.79 0.66 118.68 128.65 1pwq s LEU 668 Ca -0.08 -0.70 -0.14 0.00 -0.22 0.00 0.00 54.13 52.98 1pwq s LEU 668 Cb -0.10 -0.92 -0.05 0.00 0.50 0.00 0.00 46.19 45.63 1pwq s LEU 668 CO -0.11 -0.19 1.02 -2.28 -1.32 0.00 0.00 176.35 173.47 1pwq s HIS 669 N 1.63 3.33 -0.06 5.38 5.65 0.12 -1.84 115.29 129.50 1pwq s HIS 669 Ca 0.00 1.43 0.02 0.00 0.25 0.00 0.00 55.06 56.76 1pwq s HIS 669 Cb -0.16 -2.84 -0.05 0.00 -1.18 0.00 0.00 32.58 28.35 1pwq s HIS 669 CO -0.08 -0.74 -0.04 0.41 -0.65 0.00 0.00 174.74 173.64 1pwq n GLY 670 N -1.75 -0.14 1.88 1.59 0.00 -0.89 -4.69 105.19 101.19 1pwq n GLY 670 Ca 0.07 -0.06 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 1pwq n GLY 670 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1pwq n PRO 671 N -2.56 1.86 0.00 1.61 -0.05 -1.26 -4.79 135.00 129.80 1pwq n PRO 671 Ca -0.11 -1.77 0.00 0.00 -0.05 0.00 0.00 63.50 61.57 1pwq n PRO 671 Cb 0.64 -1.69 0.00 0.00 -0.05 0.00 0.00 33.50 32.39 1pwq n PRO 671 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 175.50 175.90 1pwq n SER 672 N -0.01 1.24 -2.70 3.54 2.88 -1.26 -4.05 113.62 113.26 1pwq n SER 672 Ca 0.34 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.82 1pwq n SER 672 Cb 0.76 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 64.30 1pwq n SER 672 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1pwq n LYS 673 N 0.00 0.48 -0.62 -1.46 3.00 -1.26 -2.54 118.16 115.76 1pwq n LYS 673 Ca 0.00 -1.22 -0.24 0.00 -0.00 0.00 0.00 58.31 56.85 1pwq n LYS 673 Cb 0.00 -0.70 -0.04 0.00 0.00 0.00 0.00 35.03 34.29 1pwq n LYS 673 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1pwq n GLY 674 N 1.09 0.05 3.59 3.14 0.00 -1.26 -4.64 105.19 107.16 1pwq n GLY 674 Ca 0.03 0.35 -0.51 0.00 0.00 0.00 0.00 46.02 45.89 1pwq n GLY 674 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1pwq n VAL 675 N 1.34 0.25 -3.52 1.61 0.31 -1.26 -1.67 118.33 115.40 1pwq n VAL 675 Ca 0.11 -0.06 -0.19 0.00 -0.01 0.00 0.00 64.34 64.18 1pwq n VAL 675 Cb -0.02 -0.89 0.06 0.00 -0.91 0.00 0.00 33.84 32.08 1pwq n VAL 675 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1pwq n GLU 676 N 2.37 -4.71 -3.70 5.55 -0.58 -1.26 -5.01 120.64 113.31 1pwq n GLU 676 Ca 0.17 0.74 -0.13 0.00 -0.42 0.00 0.00 57.16 57.51 1pwq n GLU 676 Cb 0.21 -5.46 -0.07 0.00 -0.57 0.00 0.00 31.44 25.55 1pwq n GLU 676 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1pwq s LEU 677 N -6.30 0.51 0.00 -4.62 1.43 -0.67 -5.06 118.68 103.97 1pwq s LEU 677 Ca 0.13 0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 1pwq s LEU 677 Cb -0.03 1.60 0.00 0.00 0.03 0.00 0.00 46.19 47.80 1pwq s LEU 677 CO 0.77 -0.57 0.00 -2.11 0.23 0.00 0.00 176.35 174.68 1pwq n ARG 678 N 0.86 3.35 -3.99 1.70 1.85 -1.26 -4.78 116.66 114.39 1pwq n ARG 678 Ca -0.20 0.00 -0.31 0.00 -1.00 0.00 0.00 57.85 56.34 1pwq n ARG 678 Cb 0.58 -0.45 -0.15 0.00 -1.05 0.00 0.00 32.46 31.39 1pwq n ARG 678 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1pwq s ASN 679 N -0.71 4.13 0.48 2.89 -0.87 -1.26 -4.96 114.94 114.63 1pwq s ASN 679 Ca 0.00 -1.30 0.37 0.00 -1.57 0.00 0.00 52.86 50.36 1pwq s ASN 679 Cb 0.00 -1.34 1.55 0.00 -0.02 0.00 0.00 41.25 41.44 1pwq s ASN 679 CO 0.00 -0.22 1.60 0.44 -2.57 0.00 0.00 177.10 176.34 1pwq h ASP 680 N 7.87 0.15 0.08 -1.22 3.45 -1.98 1.76 116.42 126.53 1pwq h ASP 680 Ca -0.18 0.10 0.01 0.00 0.43 0.00 0.00 57.03 57.39 1pwq h ASP 680 Cb 1.06 0.10 -0.02 0.00 -0.56 0.00 0.00 39.33 39.91 1pwq h ASP 680 CO 0.44 -0.16 -0.14 0.77 -1.57 0.00 0.00 179.24 178.58 1pwq h SER 681 N 0.03 -0.39 -1.33 6.45 4.64 -1.93 0.41 113.55 121.43 1pwq h SER 681 Ca 0.87 0.05 0.42 0.00 -0.47 0.00 0.00 61.79 62.66 1pwq h SER 681 Cb 3.03 0.15 -0.12 0.00 -0.31 0.00 0.00 62.40 65.15 1pwq h SER 681 CO -0.31 -0.21 0.88 -0.33 -0.87 0.00 0.00 176.83 175.99 1pwq h GLU 682 N -0.28 0.11 0.38 4.77 5.08 0.23 1.09 114.58 125.95 1pwq h GLU 682 Ca 0.02 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1pwq h GLU 682 Cb 0.29 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1pwq h GLU 682 CO -0.08 0.07 -0.18 0.78 -1.00 0.00 0.00 179.01 178.60 1pwq h GLY 683 N 0.11 -0.53 -0.13 -3.84 0.00 -0.79 -2.27 103.07 95.64 1pwq h GLY 683 Ca 0.79 0.20 0.06 0.00 0.00 0.00 0.00 47.33 48.37 1pwq h GLY 683 CO -0.35 -0.19 -0.40 -2.75 0.00 0.00 0.00 176.54 172.85 1pwq h PHE 684 N -0.78 -1.16 -0.83 5.60 3.57 0.16 0.90 116.94 124.42 1pwq h PHE 684 Ca -0.05 0.06 0.21 0.00 3.53 0.00 0.00 57.97 61.71 1pwq h PHE 684 Cb 0.52 0.55 -0.14 0.00 2.79 0.00 0.00 35.95 39.67 1pwq h PHE 684 CO 0.01 -0.44 0.14 0.82 -2.23 0.00 0.00 178.31 176.61 1pwq h ILE 685 N -0.39 0.33 -0.27 1.41 2.04 -0.86 0.14 117.51 119.93 1pwq h ILE 685 Ca 0.11 -0.06 0.03 0.00 1.00 0.00 0.00 64.86 65.95 1pwq h ILE 685 Cb 0.59 0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 1pwq h ILE 685 CO -0.48 0.03 0.08 -0.74 0.00 0.00 0.00 178.15 177.03 1pwq h HIS 686 N 0.17 0.13 0.00 1.37 2.76 -0.24 -0.45 115.15 118.90 1pwq h HIS 686 Ca 0.49 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.67 1pwq h HIS 686 Cb 0.93 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 29.87 1pwq h HIS 686 CO -0.33 0.05 -0.01 0.93 -1.30 0.00 0.00 177.93 177.27 1pwq h GLU 687 N 0.19 0.00 0.00 5.26 4.39 0.20 0.60 114.58 125.22 1pwq h GLU 687 Ca 0.12 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.82 1pwq h GLU 687 Cb 0.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1pwq h GLU 687 CO -0.14 0.01 0.00 0.34 -1.16 0.00 0.00 179.01 178.06 1pwq n PHE 688 N -3.66 0.88 0.03 4.33 7.35 -0.20 -3.25 117.46 122.93 1pwq n PHE 688 Ca -0.03 0.29 -0.13 0.00 -0.76 0.00 0.00 57.45 56.82 1pwq n PHE 688 Cb 0.10 -0.97 -0.09 0.00 0.35 0.00 0.00 39.48 38.87 1pwq n PHE 688 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 1pwq h GLY 689 N 3.61 -0.07 2.00 7.13 0.00 0.50 -2.58 103.07 113.66 1pwq h GLY 689 Ca 0.00 0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.35 1pwq h GLY 689 CO 0.00 -0.02 -0.00 0.45 0.00 0.00 0.00 176.54 176.96 1pwq h HIS 690 N -0.41 0.00 0.00 5.60 3.86 -1.62 0.29 115.15 122.87 1pwq h HIS 690 Ca -0.01 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.05 1pwq h HIS 690 Cb 0.37 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.81 1pwq h HIS 690 CO 0.04 0.00 -1.01 0.00 0.86 0.00 0.00 177.93 177.82 1pwq h ALA 691 N 2.00 0.63 0.10 2.45 0.00 -1.60 -0.74 119.26 122.09 1pwq h ALA 691 Ca -0.00 -0.74 -0.27 0.00 0.00 0.00 0.00 54.91 53.91 1pwq h ALA 691 Cb 0.12 0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.01 1pwq h ALA 691 CO 0.00 0.89 -1.17 0.28 0.00 0.00 0.00 179.25 179.25 1pwq h VAL 692 N 0.00 1.44 0.00 0.00 2.07 -0.76 -1.21 116.25 117.80 1pwq h VAL 692 Ca -0.09 -2.82 -0.06 0.00 0.82 0.00 0.00 66.70 64.54 1pwq h VAL 692 Cb 1.56 2.78 -0.01 0.00 -1.52 0.00 0.00 31.29 34.10 1pwq h VAL 692 CO 0.07 0.83 -0.31 -0.78 0.02 0.00 0.00 177.57 177.40 1pwq h ASP 693 N 0.13 0.00 0.00 0.57 -0.00 -0.49 -2.34 116.42 114.30 1pwq h ASP 693 Ca -0.13 0.00 -0.00 0.00 -0.00 0.00 0.00 57.03 56.90 1pwq h ASP 693 Cb 1.86 0.00 -0.00 0.00 -0.00 0.00 0.00 39.33 41.19 1pwq h ASP 693 CO 0.20 0.31 -0.03 -0.78 -0.00 0.00 0.00 179.24 178.93 1pwq h ASP 694 N 0.00 0.00 -0.90 2.28 1.82 -0.91 -3.10 116.42 115.62 1pwq h ASP 694 Ca -0.00 -0.53 0.08 0.00 -0.39 0.00 0.00 57.03 56.19 1pwq h ASP 694 Cb 0.66 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 40.61 1pwq h ASP 694 CO 0.04 0.78 0.58 0.22 -1.61 0.00 0.00 179.24 179.25 1pwq h TYR 695 N -1.00 1.01 0.53 0.28 3.20 -1.25 -1.54 116.97 118.21 1pwq h TYR 695 Ca -0.01 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 1pwq h TYR 695 Cb 0.55 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 1pwq h TYR 695 CO 0.14 0.51 -0.50 0.00 -1.64 0.00 0.00 178.16 176.67 1pwq h ALA 696 N 1.53 -1.17 -0.26 1.82 0.00 -1.55 -1.77 119.26 117.86 1pwq h ALA 696 Ca 0.40 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.14 1pwq h ALA 696 Cb 0.27 0.72 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 1pwq h ALA 696 CO -0.16 -1.19 -0.27 0.78 0.00 0.00 0.00 179.25 178.41 1pwq h GLY 697 N -1.03 -1.59 -0.85 0.00 0.00 -1.25 -1.50 103.07 96.85 1pwq h GLY 697 Ca -0.07 0.84 0.30 0.00 0.00 0.00 0.00 47.33 48.40 1pwq h GLY 697 CO -0.05 -0.47 0.22 -1.82 0.00 0.00 0.00 176.54 174.43 1pwq h TYR 698 N -0.14 0.29 -0.03 5.60 5.03 -1.18 -1.72 116.97 124.82 1pwq h TYR 698 Ca 0.04 0.06 0.01 0.00 2.58 0.00 0.00 58.73 61.42 1pwq h TYR 698 Cb 0.26 0.03 -0.00 0.00 1.55 0.00 0.00 36.73 38.57 1pwq h TYR 698 CO -0.74 -0.39 0.18 -0.07 -1.32 0.00 0.00 178.16 175.81 1pwq h LEU 699 N 0.06 0.00 0.00 2.82 3.38 -0.35 -2.28 115.31 118.94 1pwq h LEU 699 Ca 0.66 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.63 1pwq h LEU 699 Cb 1.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.24 1pwq h LEU 699 CO -0.82 0.00 -0.96 0.18 0.09 0.00 0.00 178.44 176.93 1pwq n LEU 700 N -3.11 0.16 -3.44 1.67 4.77 -0.66 -4.72 117.00 111.66 1pwq n LEU 700 Ca -0.02 -0.21 -0.26 0.00 -0.03 0.00 0.00 56.01 55.49 1pwq n LEU 700 Cb 0.25 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.25 1pwq n LEU 700 CO 0.18 0.04 -0.09 0.47 -1.33 0.00 0.00 177.39 176.66 1pwq n ASP 701 N -1.54 2.16 0.00 -1.43 8.00 -0.88 -4.93 116.55 117.93 1pwq n ASP 701 Ca -0.00 -3.08 0.06 0.00 0.71 0.00 0.00 54.79 52.48 1pwq n ASP 701 Cb 0.18 -0.66 0.36 0.00 -0.02 0.00 0.00 41.12 40.98 1pwq n ASP 701 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1pwq n LYS 702 N 1.41 0.75 -0.02 -1.24 5.02 -1.04 -3.16 118.16 119.90 1pwq n LYS 702 Ca 0.26 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.53 1pwq n LYS 702 Cb 0.44 -1.25 -0.01 0.00 -0.02 0.00 0.00 35.03 34.19 1pwq n LYS 702 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1pwq n ASN 703 N -0.75 0.58 -3.95 4.39 2.85 -1.26 -4.85 115.26 112.26 1pwq n ASN 703 Ca 0.09 0.09 -0.43 0.00 -0.11 0.00 0.00 54.58 54.23 1pwq n ASN 703 Cb 0.04 -0.46 0.00 0.00 1.24 0.00 0.00 39.78 40.61 1pwq n ASN 703 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1pwq n GLN 704 N -3.07 3.67 -1.75 1.20 6.02 -1.23 -5.01 117.38 117.21 1pwq n GLN 704 Ca -0.03 -3.67 -0.42 0.00 -0.01 0.00 0.00 57.00 52.87 1pwq n GLN 704 Cb 0.13 -2.90 -0.03 0.00 1.02 0.00 0.00 30.24 28.46 1pwq n GLN 704 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1pwq s SER 705 N 0.86 6.48 -0.18 1.08 1.04 -1.19 -4.75 113.70 117.04 1pwq s SER 705 Ca 0.39 2.63 -0.20 0.00 0.48 0.00 0.00 55.95 59.26 1pwq s SER 705 Cb 0.07 -2.55 0.05 0.00 0.10 0.00 0.00 66.02 63.70 1pwq s SER 705 CO 0.01 -1.01 0.54 -0.62 0.98 0.00 0.00 173.24 173.15 1pwq s ASP 706 N 3.57 -0.55 0.31 7.02 3.68 -1.26 -5.01 116.67 124.44 1pwq s ASP 706 Ca 0.83 1.01 -0.27 0.00 2.13 0.00 0.00 52.55 56.25 1pwq s ASP 706 Cb -0.42 1.03 -0.13 0.00 -1.45 0.00 0.00 42.92 41.94 1pwq s ASP 706 CO 0.38 -0.23 1.02 0.18 0.13 0.00 0.00 175.17 176.64 1pwq n LEU 707 N 2.56 1.99 -0.09 -1.34 4.77 -1.26 -4.34 117.00 119.29 1pwq n LEU 707 Ca -0.14 1.16 -0.06 0.00 -0.03 0.00 0.00 56.01 56.93 1pwq n LEU 707 Cb 0.56 -1.31 0.12 0.00 -2.33 0.00 0.00 43.42 40.46 1pwq n LEU 707 CO 0.10 -1.36 0.77 1.62 -1.33 0.00 0.00 177.39 177.19 1pwq h VAL 708 N 1.96 1.26 -0.76 4.08 3.04 -1.87 -2.51 116.25 121.45 1pwq h VAL 708 Ca -0.41 -1.22 0.19 0.00 -1.01 0.00 0.00 66.70 64.26 1pwq h VAL 708 Cb 1.34 1.10 -0.04 0.00 -2.01 0.00 0.00 31.29 31.67 1pwq h VAL 708 CO 0.60 0.41 0.53 0.71 -1.01 0.00 0.00 177.57 178.81 1pwq h THR 709 N 0.69 0.68 0.00 3.17 1.35 -1.90 0.96 112.91 117.86 1pwq h THR 709 Ca 0.11 -0.06 -0.01 0.00 -0.55 0.00 0.00 66.41 65.91 1pwq h THR 709 Cb 0.63 0.50 -0.00 0.00 -1.73 0.00 0.00 68.15 67.55 1pwq h THR 709 CO 0.04 0.03 -0.03 -1.13 -0.25 0.00 0.00 175.52 174.18 1pwq h ASN 710 N 0.17 0.00 -3.68 5.36 -0.73 -1.81 -3.36 115.58 111.52 1pwq h ASN 710 Ca 0.37 0.00 -0.52 0.00 1.87 0.00 0.00 56.30 58.02 1pwq h ASN 710 Cb 1.22 0.00 0.05 0.00 0.27 0.00 0.00 38.32 39.86 1pwq h ASN 710 CO -0.06 0.03 0.62 -0.55 -0.37 0.00 0.00 177.43 177.10 1pwq s SER 711 N -5.64 6.89 0.13 1.15 0.15 0.33 -4.90 113.70 111.81 1pwq s SER 711 Ca -0.01 2.53 -0.25 0.00 0.70 0.00 0.00 55.95 58.91 1pwq s SER 711 Cb 0.11 -2.63 -0.06 0.00 -1.71 0.00 0.00 66.02 61.73 1pwq s SER 711 CO 0.52 -0.48 1.33 0.29 1.20 0.00 0.00 173.24 176.10 1pwq n LYS 712 N 1.53 -0.36 -0.23 5.44 4.01 -1.26 -2.14 118.16 125.15 1pwq n LYS 712 Ca 0.02 1.31 0.02 0.00 -0.51 0.00 0.00 58.31 59.15 1pwq n LYS 712 Cb 0.42 -1.93 0.06 0.00 -0.51 0.00 0.00 35.03 33.08 1pwq n LYS 712 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1pwq n LYS 713 N -4.93 -0.09 -0.06 1.97 4.81 -1.26 -0.44 118.16 118.16 1pwq n LYS 713 Ca 0.02 0.97 -0.16 0.00 -0.87 0.00 0.00 58.31 58.27 1pwq n LYS 713 Cb 0.21 -1.44 -0.06 0.00 0.02 0.00 0.00 35.03 33.76 1pwq n LYS 713 CO 0.00 0.00 0.00 0.35 1.17 0.00 0.00 177.40 178.92 1pwq h PHE 714 N 0.00 0.99 -0.84 5.64 3.57 -1.69 -3.30 116.94 121.31 1pwq h PHE 714 Ca 0.26 -0.38 0.17 0.00 3.53 0.00 0.00 57.97 61.55 1pwq h PHE 714 Cb 0.42 -0.17 -0.10 0.00 2.79 0.00 0.00 35.95 38.88 1pwq h PHE 714 CO -0.51 1.19 0.39 0.82 -2.23 0.00 0.00 178.31 177.97 1pwq h ILE 715 N 0.50 0.63 -0.38 1.41 2.04 -0.70 0.32 117.51 121.34 1pwq h ILE 715 Ca -0.01 -0.18 -0.05 0.00 1.00 0.00 0.00 64.86 65.62 1pwq h ILE 715 Cb 1.18 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 1pwq h ILE 715 CO 0.12 0.09 0.00 0.44 0.00 0.00 0.00 178.15 178.81 1pwq h ASP 716 N 0.51 0.56 0.60 1.72 3.45 -1.61 -1.47 116.42 120.19 1pwq h ASP 716 Ca 0.48 -0.11 -0.07 0.00 0.43 0.00 0.00 57.03 57.76 1pwq h ASP 716 Cb 0.77 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 39.38 1pwq h ASP 716 CO -0.42 0.63 -0.32 0.40 -1.57 0.00 0.00 179.24 177.95 1pwq h ILE 717 N 0.57 0.93 0.42 0.35 1.08 -0.57 -2.90 117.51 117.39 1pwq h ILE 717 Ca 0.12 -1.24 -0.02 0.00 -0.39 0.00 0.00 64.86 63.33 1pwq h ILE 717 Cb 0.36 1.73 0.00 0.00 -3.07 0.00 0.00 36.82 35.85 1pwq h ILE 717 CO 0.01 0.32 -0.20 0.15 -0.69 0.00 0.00 178.15 177.73 1pwq h PHE 718 N 0.00 -0.53 0.00 1.37 -0.00 0.18 -1.20 116.94 116.76 1pwq h PHE 718 Ca -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 57.97 57.95 1pwq h PHE 718 Cb 0.71 0.17 0.00 0.00 -0.00 0.00 0.00 35.95 36.83 1pwq h PHE 718 CO 0.00 -0.21 0.04 0.87 -0.00 0.00 0.00 178.31 179.02 1pwq h LYS 719 N -0.96 0.00 0.00 1.11 1.57 -1.36 0.78 116.57 117.71 1pwq h LYS 719 Ca -0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1pwq h LYS 719 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1pwq h LYS 719 CO 0.10 0.00 -0.65 -1.91 -0.57 0.00 0.00 179.45 176.42 1pwq n GLU 720 N -2.69 0.43 -0.34 3.15 2.13 -1.10 -4.53 120.64 117.69 1pwq n GLU 720 Ca -0.02 0.35 0.06 0.00 0.66 0.00 0.00 57.16 58.21 1pwq n GLU 720 Cb 0.10 -1.45 0.22 0.00 0.27 0.00 0.00 31.44 30.57 1pwq n GLU 720 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1pwq n GLU 721 N -4.27 2.49 0.21 5.31 1.02 -0.46 -4.59 120.64 120.35 1pwq n GLU 721 Ca -0.09 -1.74 -0.15 0.00 -0.02 0.00 0.00 57.16 55.16 1pwq n GLU 721 Cb 0.34 -1.56 -0.08 0.00 -0.02 0.00 0.00 31.44 30.12 1pwq n GLU 721 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1pwq h GLY 722 N 4.81 -0.52 -1.59 0.62 0.00 0.45 -2.86 103.07 103.99 1pwq h GLY 722 Ca 0.00 0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 1pwq h GLY 722 CO 0.10 -0.20 0.01 1.44 0.00 0.00 0.00 176.54 177.90 1pwq n SER 723 N -5.32 2.05 -1.36 0.19 7.64 -1.26 -4.08 113.62 111.48 1pwq n SER 723 Ca -0.10 -2.19 0.10 0.00 1.01 0.00 0.00 58.87 57.68 1pwq n SER 723 Cb 0.23 -0.54 0.32 0.00 -1.01 0.00 0.00 64.21 63.21 1pwq n SER 723 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1pwq n ASN 724 N 0.13 4.23 0.00 6.43 4.13 -1.08 -4.98 115.26 124.12 1pwq n ASN 724 Ca 0.06 -2.27 0.00 0.00 1.68 0.00 0.00 54.58 54.05 1pwq n ASN 724 Cb 0.46 -0.50 0.00 0.00 -1.54 0.00 0.00 39.78 38.20 1pwq n ASN 724 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1pwq n LEU 725 N 1.14 0.00 -4.77 3.41 4.77 -1.26 -4.72 117.00 115.58 1pwq n LEU 725 Ca 0.23 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.82 1pwq n LEU 725 Cb 0.75 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.85 1pwq n LEU 725 CO 0.19 0.00 1.04 0.42 -1.33 0.00 0.00 177.39 177.71 1pwq s THR 726 N 2.40 2.18 0.30 -5.08 -4.23 -1.26 -4.80 115.64 105.14 1pwq s THR 726 Ca 0.00 0.16 0.23 0.00 -1.18 0.00 0.00 61.69 60.90 1pwq s THR 726 Cb 0.00 -3.09 0.23 0.00 1.34 0.00 0.00 72.50 70.98 1pwq s THR 726 CO 0.00 0.02 1.67 -1.28 -0.54 0.00 0.00 174.62 174.49 1pwq h SER 727 N 2.33 0.00 0.39 3.99 0.87 -1.97 0.11 113.55 119.27 1pwq h SER 727 Ca -0.51 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 59.75 1pwq h SER 727 Cb 1.26 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.17 1pwq h SER 727 CO 0.61 0.00 -1.85 0.00 -0.53 0.00 0.00 176.83 175.06 1pwq n TYR 728 N -2.49 0.77 0.02 2.24 9.36 -1.26 -3.96 117.16 121.84 1pwq n TYR 728 Ca -0.02 0.28 0.01 0.00 3.32 0.00 0.00 57.90 61.50 1pwq n TYR 728 Cb 0.30 -1.14 0.07 0.00 -0.63 0.00 0.00 39.34 37.94 1pwq n TYR 728 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1pwq n GLY 729 N 1.59 -0.52 0.14 2.98 0.00 0.38 -2.90 105.19 106.85 1pwq n GLY 729 Ca -0.20 0.02 0.12 0.00 0.00 0.00 0.00 46.02 45.97 1pwq n GLY 729 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1pwq h ARG 730 N 0.00 0.00 0.00 1.61 3.08 -1.69 -2.60 114.38 114.79 1pwq h ARG 730 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1pwq h ARG 730 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1pwq h ARG 730 CO 0.00 0.00 0.00 2.41 -1.07 0.00 0.00 179.97 181.31 1pwq n THR 731 N -2.31 0.00 -0.40 2.04 -1.04 -1.14 -4.89 114.28 106.55 1pwq n THR 731 Ca 0.03 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.79 1pwq n THR 731 Cb 0.28 0.00 0.22 0.00 -1.82 0.00 0.00 70.33 69.01 1pwq n THR 731 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1pwq n ASN 732 N 0.00 -3.43 -0.56 8.00 0.23 -1.26 -4.85 115.26 113.39 1pwq n ASN 732 Ca 0.00 -0.58 0.12 0.00 -0.53 0.00 0.00 54.58 53.59 1pwq n ASN 732 Cb 0.00 -0.91 0.19 0.00 -2.08 0.00 0.00 39.78 36.99 1pwq n ASN 732 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1pwq n GLU 733 N -3.75 1.50 0.06 -3.83 0.00 -1.26 -3.49 120.64 109.86 1pwq n GLU 733 Ca 0.09 -1.13 -0.19 0.00 0.00 0.00 0.00 57.16 55.93 1pwq n GLU 733 Cb 0.48 -1.48 -0.10 0.00 0.00 0.00 0.00 31.44 30.34 1pwq n GLU 733 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1pwq h ALA 734 N 4.13 0.15 0.36 -1.84 0.00 -1.92 -2.13 119.26 118.01 1pwq h ALA 734 Ca 0.00 -0.72 -0.02 0.00 0.00 0.00 0.00 54.91 54.18 1pwq h ALA 734 Cb 0.72 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1pwq h ALA 734 CO 0.00 0.72 -0.17 0.93 0.00 0.00 0.00 179.25 180.72 1pwq h GLU 735 N 0.34 -0.47 -0.81 0.00 4.39 -1.87 -1.92 114.58 114.25 1pwq h GLU 735 Ca -0.13 0.03 0.10 0.00 0.34 0.00 0.00 59.36 59.70 1pwq h GLU 735 Cb 1.72 0.11 -0.11 0.00 -0.10 0.00 0.00 28.75 30.36 1pwq h GLU 735 CO 0.20 -0.31 -0.40 0.34 -1.16 0.00 0.00 179.01 177.68 1pwq n PHE 736 N -4.07 -0.18 -0.18 4.33 7.35 -0.98 0.27 117.46 123.99 1pwq n PHE 736 Ca -0.06 1.01 -0.11 0.00 -0.76 0.00 0.00 57.45 57.53 1pwq n PHE 736 Cb 0.19 -0.68 -0.08 0.00 0.35 0.00 0.00 39.48 39.26 1pwq n PHE 736 CO 0.00 0.00 0.00 0.35 -0.76 0.00 0.00 176.76 176.35 1pwq h PHE 737 N 0.00 -1.48 -0.87 -5.13 3.57 -1.39 1.18 116.94 112.82 1pwq h PHE 737 Ca 0.20 0.08 0.01 0.00 3.53 0.00 0.00 57.97 61.79 1pwq h PHE 737 Cb 0.40 0.71 -0.04 0.00 2.79 0.00 0.00 35.95 39.81 1pwq h PHE 737 CO -0.78 -0.38 0.58 0.00 -2.23 0.00 0.00 178.31 175.50 1pwq h ALA 738 N -0.12 1.39 -0.40 2.41 0.00 0.17 0.12 119.26 122.82 1pwq h ALA 738 Ca 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1pwq h ALA 738 Cb 0.46 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1pwq h ALA 738 CO -0.58 0.56 0.26 0.93 0.00 0.00 0.00 179.25 180.42 1pwq h GLU 739 N 1.17 0.54 0.25 0.00 4.39 0.74 0.23 114.58 121.89 1pwq h GLU 739 Ca 0.32 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.98 1pwq h GLU 739 Cb -0.11 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.42 1pwq h GLU 739 CO -0.07 0.36 -0.12 0.00 -1.16 0.00 0.00 179.01 178.02 1pwq h ALA 740 N 1.74 -0.33 -0.84 3.43 0.00 0.32 -2.59 119.26 120.98 1pwq h ALA 740 Ca 0.15 -0.20 0.17 0.00 0.00 0.00 0.00 54.91 55.03 1pwq h ALA 740 Cb -0.05 0.13 -0.11 0.00 0.00 0.00 0.00 17.79 17.76 1pwq h ALA 740 CO -0.03 -0.44 0.38 0.35 0.00 0.00 0.00 179.25 179.50 1pwq h PHE 741 N -0.81 0.64 0.47 0.00 3.57 -0.22 0.22 116.94 120.81 1pwq h PHE 741 Ca -0.03 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 1pwq h PHE 741 Cb 0.51 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.10 1pwq h PHE 741 CO 0.05 0.06 -0.22 -0.09 -2.23 0.00 0.00 178.31 175.88 1pwq h ARG 742 N 0.48 -0.60 0.04 1.11 1.12 -0.56 -0.72 114.38 115.26 1pwq h ARG 742 Ca 0.48 0.04 0.02 0.00 -1.11 0.00 0.00 59.98 59.41 1pwq h ARG 742 Cb 0.80 0.14 -0.05 0.00 -0.01 0.00 0.00 29.97 30.85 1pwq h ARG 742 CO -0.44 -0.40 -0.49 -0.07 -3.11 0.00 0.00 179.97 175.46 1pwq h LEU 743 N -0.63 -1.51 -0.89 3.80 3.38 -1.16 -1.88 115.31 116.42 1pwq h LEU 743 Ca -0.06 0.16 0.12 0.00 0.09 0.00 0.00 57.88 58.19 1pwq h LEU 743 Cb 0.48 0.57 -0.13 0.00 0.09 0.00 0.00 40.66 41.66 1pwq h LEU 743 CO 0.10 -0.49 -0.40 0.23 0.09 0.00 0.00 178.44 177.97 1pwq n MET 744 N -5.22 -0.26 -1.69 1.13 2.81 0.76 -1.27 117.12 113.38 1pwq n MET 744 Ca -0.07 1.37 -0.32 0.00 -1.81 0.00 0.00 57.70 56.87 1pwq n MET 744 Cb 0.37 -2.03 -0.04 0.00 -0.71 0.00 0.00 33.22 30.81 1pwq n MET 744 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1pwq n HIS 745 N -5.26 1.98 -4.18 2.03 8.25 -0.28 -4.63 115.22 113.12 1pwq n HIS 745 Ca 0.07 -2.31 -0.25 0.00 -0.26 0.00 0.00 57.72 54.97 1pwq n HIS 745 Cb 0.32 -1.59 -0.07 0.00 1.12 0.00 0.00 29.99 29.78 1pwq n HIS 745 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1pwq s SER 746 N 0.42 5.00 0.00 0.41 0.15 -0.40 -4.81 113.70 114.47 1pwq s SER 746 Ca 0.57 -0.36 -0.02 0.00 0.70 0.00 0.00 55.95 56.84 1pwq s SER 746 Cb 0.30 -1.13 -0.01 0.00 -1.71 0.00 0.00 66.02 63.46 1pwq s SER 746 CO -0.16 0.05 1.03 0.74 1.20 0.00 0.00 173.24 176.10 1pwq h THR 747 N 2.13 0.00 -2.08 6.45 2.02 -1.92 -3.39 112.91 116.11 1pwq h THR 747 Ca -0.47 0.00 -0.60 0.00 0.77 0.00 0.00 66.41 66.11 1pwq h THR 747 Cb 1.22 0.00 0.02 0.00 -1.74 0.00 0.00 68.15 67.64 1pwq h THR 747 CO 0.60 0.00 1.15 -0.67 0.37 0.00 0.00 175.52 176.97 1pwq n ASP 748 N -2.20 3.59 -0.04 4.18 -0.08 -1.26 -4.87 116.55 115.88 1pwq n ASP 748 Ca -0.01 0.93 -0.12 0.00 -1.51 0.00 0.00 54.79 54.08 1pwq n ASP 748 Cb 0.03 -1.41 0.01 0.00 2.34 0.00 0.00 41.12 42.09 1pwq n ASP 748 CO 0.00 0.00 0.00 0.45 0.12 0.00 0.00 177.20 177.77 1pwq h HIS 749 N 9.73 0.90 -0.47 -0.67 3.86 -1.99 -3.35 115.15 123.17 1pwq h HIS 749 Ca -0.48 -0.32 0.07 0.00 -1.16 0.00 0.00 60.37 58.47 1pwq h HIS 749 Cb 1.27 -0.17 -0.07 0.00 1.06 0.00 0.00 27.41 29.49 1pwq h HIS 749 CO 0.90 1.11 -0.19 0.00 0.86 0.00 0.00 177.93 180.61 1pwq n ALA 750 N -2.55 -0.08 0.25 2.45 0.00 -1.26 0.24 120.51 119.57 1pwq n ALA 750 Ca -0.04 0.46 0.14 0.00 0.00 0.00 0.00 53.44 54.01 1pwq n ALA 750 Cb 0.62 -0.20 0.58 0.00 0.00 0.00 0.00 19.45 20.45 1pwq n ALA 750 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1pwq h GLU 751 N 0.00 0.00 0.00 0.00 5.08 -1.94 -1.89 114.58 115.83 1pwq h GLU 751 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1pwq h GLU 751 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1pwq h GLU 751 CO -0.46 0.08 0.00 0.00 -1.00 0.00 0.00 179.01 177.63 1pwq h ARG 752 N 0.00 0.00 0.04 2.33 3.08 0.29 -2.09 114.38 118.04 1pwq h ARG 752 Ca -0.00 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.74 1pwq h ARG 752 Cb 0.62 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.63 1pwq h ARG 752 CO 0.01 0.00 -1.73 1.28 -1.07 0.00 0.00 179.97 178.46 1pwq n LEU 753 N -2.54 2.21 -0.47 3.04 4.32 -0.73 -4.06 117.00 118.77 1pwq n LEU 753 Ca 0.00 0.30 0.40 0.00 -0.02 0.00 0.00 56.01 56.69 1pwq n LEU 753 Cb 0.16 -1.00 0.67 0.00 -1.62 0.00 0.00 43.42 41.63 1pwq n LEU 753 CO 0.18 0.55 1.21 0.29 -1.22 0.00 0.00 177.39 178.41 1pwq n LYS 754 N -4.01 -0.03 0.05 3.23 4.76 -0.79 -0.59 118.16 120.77 1pwq n LYS 754 Ca -0.35 1.24 -0.02 0.00 -2.87 0.00 0.00 58.31 56.30 1pwq n LYS 754 Cb 0.85 -2.44 -0.01 0.00 -1.84 0.00 0.00 35.03 31.59 1pwq n LYS 754 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1pwq h VAL 755 N 0.00 0.00 -1.67 -0.18 2.07 -1.70 -0.04 116.25 114.73 1pwq h VAL 755 Ca 0.87 -0.15 0.50 0.00 0.82 0.00 0.00 66.70 68.74 1pwq h VAL 755 Cb 2.83 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 32.51 1pwq h VAL 755 CO -0.45 0.00 1.17 -0.61 0.02 0.00 0.00 177.57 177.70 1pwq h GLN 756 N -0.30 0.02 0.00 1.57 4.15 -1.23 1.80 115.11 121.13 1pwq h GLN 756 Ca -0.02 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1pwq h GLN 756 Cb 0.11 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.80 1pwq h GLN 756 CO 0.02 0.01 0.00 1.63 -1.93 0.00 0.00 178.83 178.57 1pwq n LYS 757 N -4.19 0.00 0.24 1.69 5.02 0.24 -3.91 118.16 117.26 1pwq n LYS 757 Ca 0.39 0.48 0.14 0.00 -2.02 0.00 0.00 58.31 57.30 1pwq n LYS 757 Cb 1.73 -0.99 0.41 0.00 -0.02 0.00 0.00 35.03 36.16 1pwq n LYS 757 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1pwq h ASN 758 N 0.00 0.00 -2.14 4.39 2.35 -0.19 -3.36 115.58 116.63 1pwq h ASN 758 Ca 0.00 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 55.20 1pwq h ASN 758 Cb 0.00 0.00 -0.41 0.00 0.05 0.00 0.00 38.32 37.96 1pwq h ASN 758 CO 0.00 0.05 -0.88 0.00 -1.65 0.00 0.00 177.43 174.95 1pwq n ALA 759 N -2.11 3.41 0.08 -0.83 0.00 0.61 -4.92 120.51 116.74 1pwq n ALA 759 Ca 0.02 -4.11 -0.07 0.00 0.00 0.00 0.00 53.44 49.28 1pwq n ALA 759 Cb 0.44 -0.83 -0.04 0.00 0.00 0.00 0.00 19.45 19.02 1pwq n ALA 759 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1pwq h PRO 760 N 3.27 -0.33 -0.19 0.00 0.11 -1.68 0.24 132.00 133.42 1pwq h PRO 760 Ca 0.12 0.02 0.06 0.00 0.11 0.00 0.00 66.00 66.31 1pwq h PRO 760 Cb 0.73 0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.91 1pwq h PRO 760 CO 0.67 -0.22 0.28 0.87 -0.21 0.00 0.00 178.00 179.39 1pwq h LYS 761 N -0.35 0.00 0.00 1.05 1.57 -1.94 -1.27 116.57 115.63 1pwq h LYS 761 Ca -0.01 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1pwq h LYS 761 Cb 0.32 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 1pwq h LYS 761 CO -0.07 0.00 -0.09 1.15 -0.57 0.00 0.00 179.45 179.86 1pwq h THR 762 N 0.00 0.36 -1.74 -0.16 2.02 -1.86 -1.42 112.91 110.10 1pwq h THR 762 Ca 0.09 -1.28 0.51 0.00 0.77 0.00 0.00 66.41 66.49 1pwq h THR 762 Cb 0.65 0.69 -0.07 0.00 -1.74 0.00 0.00 68.15 67.69 1pwq h THR 762 CO -0.00 0.12 1.25 0.15 0.37 0.00 0.00 175.52 177.41 1pwq h PHE 763 N -1.00 0.01 0.00 3.16 3.57 0.15 0.29 116.94 123.13 1pwq h PHE 763 Ca -0.01 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1pwq h PHE 763 Cb 0.28 -0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.01 1pwq h PHE 763 CO 0.03 -0.00 -0.18 0.37 -2.23 0.00 0.00 178.31 176.30 1pwq h GLN 764 N 0.00 0.00 -0.53 1.11 4.15 -1.30 -2.98 115.11 115.56 1pwq h GLN 764 Ca 0.83 0.00 0.08 0.00 0.77 0.00 0.00 58.65 60.34 1pwq h GLN 764 Cb 3.33 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 30.92 1pwq h GLN 764 CO -0.02 0.26 -0.42 0.35 -1.93 0.00 0.00 178.83 177.07 1pwq h PHE 765 N -1.00 -1.22 0.50 3.99 3.57 0.66 0.30 116.94 123.74 1pwq h PHE 765 Ca -0.02 0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 1pwq h PHE 765 Cb 0.37 0.61 -0.00 0.00 2.79 0.00 0.00 35.95 39.72 1pwq h PHE 765 CO 0.02 -0.42 -0.30 0.82 -2.23 0.00 0.00 178.31 176.20 1pwq h ILE 766 N -0.25 0.00 0.00 1.41 5.03 -1.33 -0.53 117.51 121.84 1pwq h ILE 766 Ca 0.17 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.91 1pwq h ILE 766 Cb 0.57 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.36 1pwq h ILE 766 CO -0.65 0.00 0.00 -3.20 -0.68 0.00 0.00 178.15 173.62 1pwq n ASN 767 N -4.21 0.00 -0.13 1.72 2.85 -0.94 -0.03 115.26 114.52 1pwq n ASN 767 Ca -0.09 0.00 -0.24 0.00 -0.11 0.00 0.00 54.58 54.14 1pwq n ASN 767 Cb 0.31 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 41.23 1pwq n ASN 767 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1pwq n ASP 768 N -0.78 1.92 -0.24 1.20 -0.08 0.10 -4.20 116.55 114.47 1pwq n ASP 768 Ca 0.00 0.16 -0.04 0.00 -1.51 0.00 0.00 54.79 53.41 1pwq n ASP 768 Cb 0.00 -0.63 0.07 0.00 2.34 0.00 0.00 41.12 42.91 1pwq n ASP 768 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 1pwq h GLN 769 N -0.61 0.80 -0.57 -0.67 1.08 0.11 -2.27 115.11 112.97 1pwq h GLN 769 Ca -0.61 -0.05 0.12 0.00 -1.45 0.00 0.00 58.65 56.65 1pwq h GLN 769 Cb 1.66 -0.18 -0.11 0.00 -0.05 0.00 0.00 27.48 28.80 1pwq h GLN 769 CO -0.29 0.53 -0.11 0.82 -0.95 0.00 0.00 178.83 178.83 1pwq h ILE 770 N 0.82 0.45 0.00 2.54 2.04 -1.54 0.55 117.51 122.38 1pwq h ILE 770 Ca 0.27 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 66.09 1pwq h ILE 770 Cb 0.02 0.42 -0.00 0.00 -0.74 0.00 0.00 36.82 36.52 1pwq h ILE 770 CO -0.11 0.00 -0.15 0.11 0.00 0.00 0.00 178.15 178.00 1pwq h LYS 771 N 0.03 0.00 -0.75 2.37 1.57 -1.59 -0.76 116.57 117.43 1pwq h LYS 771 Ca 0.28 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.03 1pwq h LYS 771 Cb 0.44 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 1pwq h LYS 771 CO -0.56 0.15 0.36 0.35 -0.57 0.00 0.00 179.45 179.18 1pwq h PHE 772 N 0.00 1.08 0.05 -1.35 3.57 0.57 -1.88 116.94 118.99 1pwq h PHE 772 Ca -0.00 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 1pwq h PHE 772 Cb 0.31 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.72 1pwq h PHE 772 CO 0.00 0.80 -0.02 0.82 -2.23 0.00 0.00 178.31 177.67 1pwq h ILE 773 N 1.06 1.18 -1.28 1.41 2.04 -0.91 -2.85 117.51 118.16 1pwq h ILE 773 Ca 0.26 -1.63 0.37 0.00 1.00 0.00 0.00 64.86 64.86 1pwq h ILE 773 Cb 0.12 2.12 -0.05 0.00 -0.74 0.00 0.00 36.82 38.27 1pwq h ILE 773 CO -0.03 0.36 0.96 0.40 0.00 0.00 0.00 178.15 179.84 1pwq h ILE 774 N -0.90 0.31 -0.20 -0.67 2.04 -1.11 0.88 117.51 117.85 1pwq h ILE 774 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1pwq h ILE 774 Cb 0.64 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1pwq h ILE 774 CO 0.01 0.00 0.00 0.59 0.00 0.00 0.00 178.15 178.75 1pwq n ASN 775 N -4.05 2.93 0.00 1.72 3.02 -0.71 -5.03 115.26 113.15 1pwq n ASN 775 Ca 0.28 -1.87 0.00 0.00 -0.03 0.00 0.00 54.58 52.96 1pwq n ASN 775 Cb 1.37 -0.12 0.00 0.00 -0.61 0.00 0.00 39.78 40.42 1pwq n ASN 775 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40