#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wcq s PRO 41 N 0.00 4.30 0.35 5.55 0.05 -1.26 -4.91 135.00 139.08 2wcq s PRO 41 Ca 0.00 2.25 0.14 0.00 0.05 0.00 0.00 61.00 63.44 2wcq s PRO 41 Cb 0.00 -3.12 1.13 0.00 0.05 0.00 0.00 34.50 32.56 2wcq s PRO 41 CO 0.00 -0.36 1.60 0.10 0.05 0.00 0.00 177.00 178.39 2wcq h TYR 42 N 4.83 0.61 0.00 0.56 -0.00 -2.02 -1.11 116.97 119.83 2wcq h TYR 42 Ca -0.46 0.05 -0.03 0.00 -0.00 0.00 0.00 58.73 58.29 2wcq h TYR 42 Cb 1.22 -0.10 -0.00 0.00 -0.00 0.00 0.00 36.73 37.84 2wcq h TYR 42 CO 0.60 -0.40 -0.13 0.11 -0.00 0.00 0.00 178.16 178.34 2wcq h TRP 43 N 0.07 0.00 0.00 0.10 5.08 -1.92 -0.89 115.95 118.39 2wcq h TRP 43 Ca 0.75 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 60.70 2wcq h TRP 43 Cb 1.84 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 28.00 2wcq h TRP 43 CO -0.14 0.13 -0.13 0.52 -1.28 0.00 0.00 178.44 177.54 2wcq h MET 44 N 0.00 0.00 0.00 0.12 2.86 -1.57 -3.28 114.93 113.06 2wcq h MET 44 Ca -0.00 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.48 2wcq h MET 44 Cb 0.45 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.08 2wcq h MET 44 CO 0.02 0.13 -1.88 1.28 1.06 0.00 0.00 176.91 177.52 2wcq n LEU 45 N -3.56 0.31 -4.91 1.22 4.77 -0.35 -4.96 117.00 109.53 2wcq n LEU 45 Ca -0.01 0.13 -0.32 0.00 -0.03 0.00 0.00 56.01 55.78 2wcq n LEU 45 Cb 0.27 0.17 -0.04 0.00 -2.33 0.00 0.00 43.42 41.48 2wcq n LEU 45 CO 0.30 0.18 -0.09 -1.10 -1.33 0.00 0.00 177.39 175.36 2wcq s GLN 46 N -3.02 3.51 0.11 3.23 -0.21 -1.13 -5.05 119.66 117.09 2wcq s GLN 46 Ca -0.07 -0.28 -0.31 0.00 0.02 0.00 0.00 55.36 54.73 2wcq s GLN 46 Cb 0.10 -2.99 -0.07 0.00 1.00 0.00 0.00 33.01 31.05 2wcq s GLN 46 CO 0.85 0.58 1.24 1.21 -2.12 0.00 0.00 175.29 177.05 2wcq s ASN 47 N -2.35 7.02 -0.32 5.90 2.47 -1.26 -4.90 114.94 121.50 2wcq s ASN 47 Ca 0.35 2.15 0.07 0.00 0.42 0.00 0.00 52.86 55.85 2wcq s ASN 47 Cb -0.13 -2.59 0.48 0.00 -1.45 0.00 0.00 41.25 37.56 2wcq s ASN 47 CO 0.25 -0.49 1.43 -1.14 -3.72 0.00 0.00 177.10 173.43 2wcq n ARG 48 N 3.55 2.33 -0.06 0.43 3.00 -1.26 -4.83 116.66 119.82 2wcq n ARG 48 Ca 0.08 -3.46 -0.07 0.00 -0.00 0.00 0.00 57.85 54.40 2wcq n ARG 48 Cb 0.45 -1.96 -0.06 0.00 0.00 0.00 0.00 32.46 30.89 2wcq n ARG 48 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2wcq n SER 49 N -1.00 2.93 0.00 6.15 7.64 -1.26 -1.80 113.62 126.27 2wcq n SER 49 Ca 0.37 -0.04 0.00 0.00 1.01 0.00 0.00 58.87 60.21 2wcq n SER 49 Cb 0.94 0.14 0.00 0.00 -1.01 0.00 0.00 64.21 64.28 2wcq n SER 49 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2wcq n GLU 50 N -2.67 0.00 0.12 1.43 0.28 -1.26 -3.09 120.64 115.45 2wcq n GLU 50 Ca -0.19 0.00 0.13 0.00 -0.16 0.00 0.00 57.16 56.93 2wcq n GLU 50 Cb 0.76 0.00 0.30 0.00 1.43 0.00 0.00 31.44 33.93 2wcq n GLU 50 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 177.13 178.85 2wcq h TYR 51 N 0.00 0.00 0.00 -1.84 0.05 -1.69 -3.48 116.97 110.01 2wcq h TYR 51 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2wcq h TYR 51 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 2wcq h TYR 51 CO 0.00 0.00 0.00 -0.89 -1.05 0.00 0.00 178.16 176.22 2wcq n ILE 52 N -2.45 0.00 0.86 -2.88 2.08 -1.18 -4.30 119.36 111.49 2wcq n ILE 52 Ca 0.05 0.00 0.07 0.00 0.56 0.00 0.00 62.75 63.43 2wcq n ILE 52 Cb 0.46 0.00 0.20 0.00 -0.75 0.00 0.00 39.64 39.55 2wcq n ILE 52 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 2wcq n THR 53 N 0.00 0.46 -4.24 1.39 -2.24 -1.26 -4.33 114.28 104.06 2wcq n THR 53 Ca 0.00 -0.48 -0.29 0.00 -2.27 0.00 0.00 64.05 61.00 2wcq n THR 53 Cb 0.00 0.28 -0.10 0.00 -2.10 0.00 0.00 70.33 68.41 2wcq n THR 53 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2wcq s GLN 54 N -1.54 2.07 -0.03 -0.78 -0.21 -1.26 -1.26 119.66 116.64 2wcq s GLN 54 Ca 0.27 -1.07 -0.07 0.00 0.02 0.00 0.00 55.36 54.51 2wcq s GLN 54 Cb 0.14 -2.26 0.01 0.00 1.00 0.00 0.00 33.01 31.90 2wcq s GLN 54 CO 0.19 0.50 0.16 0.20 -2.12 0.00 0.00 175.29 174.22 2wcq s GLY 55 N -2.26 -0.05 -0.09 3.09 0.00 -0.42 -4.55 107.32 103.05 2wcq s GLY 55 Ca 0.21 0.20 0.02 0.00 0.00 0.00 0.00 44.72 45.15 2wcq s GLY 55 CO 0.13 0.09 -0.13 0.14 0.00 0.00 0.00 173.10 173.34 2wcq s VAL 56 N -0.62 1.24 0.23 1.40 1.01 -1.26 -0.95 120.40 121.45 2wcq s VAL 56 Ca -0.07 -0.51 -0.02 0.00 0.00 0.00 0.00 61.98 61.38 2wcq s VAL 56 Cb -0.04 -1.15 0.01 0.00 0.00 0.00 0.00 36.38 35.20 2wcq s VAL 56 CO 0.01 0.39 0.34 -0.67 0.00 0.00 0.00 175.10 175.17 2wcq n ASP 57 N 4.09 -0.95 -3.85 3.32 -0.08 -1.04 -4.82 116.55 113.22 2wcq n ASP 57 Ca -0.20 -2.23 -0.09 0.00 -1.51 0.00 0.00 54.79 50.76 2wcq n ASP 57 Cb 0.51 1.75 -0.07 0.00 2.34 0.00 0.00 41.12 45.66 2wcq n ASP 57 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 2wcq s SER 58 N -2.42 0.04 -0.03 1.67 1.04 -1.26 -1.14 113.70 111.59 2wcq s SER 58 Ca 0.18 -0.66 -0.01 0.00 0.48 0.00 0.00 55.95 55.95 2wcq s SER 58 Cb -0.01 0.39 0.02 0.00 0.10 0.00 0.00 66.02 66.53 2wcq s SER 58 CO 0.13 -0.80 0.06 -0.55 0.98 0.00 0.00 173.24 173.06 2wcq s SER 59 N -2.88 -0.01 0.74 7.02 0.15 -0.43 -4.71 113.70 113.58 2wcq s SER 59 Ca 0.08 0.12 -0.12 0.00 0.70 0.00 0.00 55.95 56.72 2wcq s SER 59 Cb 0.04 0.04 0.04 0.00 -1.71 0.00 0.00 66.02 64.42 2wcq s SER 59 CO -0.08 -0.10 1.10 -1.00 1.20 0.00 0.00 173.24 174.36 2wcq s HIS 60 N 0.79 2.53 0.48 3.44 3.76 -1.26 -1.04 115.29 124.00 2wcq s HIS 60 Ca -0.06 1.57 -0.24 0.00 -0.15 0.00 0.00 55.06 56.18 2wcq s HIS 60 Cb -0.09 -3.12 -0.07 0.00 1.11 0.00 0.00 32.58 30.42 2wcq s HIS 60 CO -0.03 -1.83 1.33 0.96 -0.85 0.00 0.00 174.74 174.33 2wcq s ILE 61 N -2.66 2.34 0.00 0.60 -0.00 -1.26 -4.90 121.20 115.32 2wcq s ILE 61 Ca 0.64 0.27 0.00 0.00 -0.00 0.00 0.00 60.65 61.56 2wcq s ILE 61 Cb -0.19 -3.15 0.00 0.00 -0.00 0.00 0.00 42.46 39.12 2wcq s ILE 61 CO 0.50 0.02 0.00 1.33 -0.00 0.00 0.00 174.94 176.79 2wcq n VAL 62 N -0.52 0.00 0.00 8.37 0.24 -1.26 -4.99 118.33 120.17 2wcq n VAL 62 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.37 2wcq n VAL 62 Cb 0.44 -0.10 0.00 0.00 -1.47 0.00 0.00 33.84 32.71 2wcq n VAL 62 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wcq n GLY 64 N 4.40 0.00 3.70 7.63 0.00 -1.26 -5.03 105.19 114.63 2wcq n GLY 64 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 2wcq n GLY 64 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wcq s LYS 65 N 0.00 2.55 0.38 1.61 0.00 -1.26 -5.14 119.74 117.87 2wcq s LYS 65 Ca 0.00 -1.03 0.03 0.00 0.00 0.00 0.00 55.97 54.96 2wcq s LYS 65 Cb 0.00 -2.44 -0.01 0.00 0.00 0.00 0.00 37.83 35.38 2wcq s LYS 65 CO 0.00 0.47 0.56 0.21 0.00 0.00 0.00 175.35 176.58 2wcq s LYS 66 N -2.97 3.18 0.08 1.78 2.20 -1.26 -4.97 119.74 117.78 2wcq s LYS 66 Ca 0.28 -0.65 -0.33 0.00 -0.36 0.00 0.00 55.97 54.91 2wcq s LYS 66 Cb -0.10 -2.69 -0.16 0.00 -1.51 0.00 0.00 37.83 33.37 2wcq s LYS 66 CO 0.20 -0.03 1.52 1.15 -0.36 0.00 0.00 175.35 177.82 2wcq h THR 67 N 0.68 0.00 -0.83 3.43 2.02 -2.00 -2.06 112.91 114.15 2wcq h THR 67 Ca -0.47 0.00 0.15 0.00 0.77 0.00 0.00 66.41 66.86 2wcq h THR 67 Cb 1.25 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 67.51 2wcq h THR 67 CO 0.57 0.00 -0.26 -0.62 0.37 0.00 0.00 175.52 175.58 2wcq n GLU 68 N -5.30 -0.13 -0.23 6.66 4.71 -1.26 0.16 120.64 125.26 2wcq n GLU 68 Ca -0.12 1.28 0.02 0.00 -0.01 0.00 0.00 57.16 58.33 2wcq n GLU 68 Cb 0.44 -1.91 0.14 0.00 -1.01 0.00 0.00 31.44 29.09 2wcq n GLU 68 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 2wcq h GLU 69 N 0.00 0.42 -0.41 3.49 4.81 -1.84 -1.95 114.58 119.11 2wcq h GLU 69 Ca 0.35 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.41 2wcq h GLU 69 Cb 0.56 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 2wcq h GLU 69 CO -0.84 0.28 -0.29 0.82 -0.73 0.00 0.00 179.01 178.26 2wcq h ILE 70 N 0.44 1.27 -0.68 2.32 1.08 0.22 -2.08 117.51 120.08 2wcq h ILE 70 Ca 0.35 -1.45 0.11 0.00 -0.39 0.00 0.00 64.86 63.47 2wcq h ILE 70 Cb 0.46 1.29 -0.08 0.00 -3.07 0.00 0.00 36.82 35.42 2wcq h ILE 70 CO -0.34 0.49 0.28 -0.08 -0.69 0.00 0.00 178.15 177.81 2wcq h GLU 71 N 0.75 0.45 -0.71 2.37 4.81 -0.68 -0.43 114.58 121.14 2wcq h GLU 71 Ca 0.08 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.22 2wcq h GLU 71 Cb 0.87 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.12 2wcq h GLU 71 CO 0.08 0.30 0.20 0.87 -0.73 0.00 0.00 179.01 179.73 2wcq h LYS 72 N 0.46 1.11 -0.26 1.92 1.79 -1.06 -0.51 116.57 120.02 2wcq h LYS 72 Ca 0.35 -0.25 -0.02 0.00 -2.18 0.00 0.00 60.65 58.55 2wcq h LYS 72 Cb 0.45 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.94 2wcq h LYS 72 CO -0.33 0.96 0.07 0.82 -1.08 0.00 0.00 179.45 179.89 2wcq h ILE 73 N 1.05 1.21 -0.73 1.86 2.04 -0.87 0.16 117.51 122.23 2wcq h ILE 73 Ca 0.23 -0.68 -0.03 0.00 1.00 0.00 0.00 64.86 65.38 2wcq h ILE 73 Cb 0.33 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 2wcq h ILE 73 CO -0.00 0.22 0.33 0.00 0.00 0.00 0.00 178.15 178.70 2wcq h ALA 74 N 0.89 0.95 -0.67 1.87 0.00 -0.99 -0.65 119.26 120.66 2wcq h ALA 74 Ca 0.08 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 2wcq h ALA 74 Cb 0.27 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2wcq h ALA 74 CO -0.00 0.53 0.15 1.15 0.00 0.00 0.00 179.25 181.08 2wcq h THR 75 N 1.03 1.26 -0.47 0.00 2.02 -0.89 -0.63 112.91 115.23 2wcq h THR 75 Ca 0.25 -0.97 -0.07 0.00 0.77 0.00 0.00 66.41 66.39 2wcq h THR 75 Cb 0.15 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 2wcq h THR 75 CO -0.03 0.37 0.02 0.50 0.37 0.00 0.00 175.52 176.75 2wcq h LYS 76 N 1.00 0.82 -0.88 6.66 1.63 -0.69 -2.01 116.57 123.11 2wcq h LYS 76 Ca 0.21 -0.25 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 2wcq h LYS 76 Cb 0.38 -0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 31.89 2wcq h LYS 76 CO 0.00 0.86 0.56 0.00 -3.45 0.00 0.00 179.45 177.42 2wcq h ARG 77 N 0.68 1.18 -0.17 1.90 3.08 -0.86 -1.60 114.38 118.58 2wcq h ARG 77 Ca 0.14 -0.09 -0.07 0.00 0.07 0.00 0.00 59.98 60.03 2wcq h ARG 77 Cb 0.48 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 2wcq h ARG 77 CO 0.02 0.81 -0.19 0.00 -1.07 0.00 0.00 179.97 179.53 2wcq h ALA 78 N 1.31 1.36 -0.36 0.04 0.00 -0.92 -1.14 119.26 119.54 2wcq h ALA 78 Ca 0.32 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 2wcq h ALA 78 Cb -0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2wcq h ALA 78 CO -0.06 0.44 -0.39 1.15 0.00 0.00 0.00 179.25 180.38 2wcq h THR 79 N 0.27 1.28 -0.63 0.00 2.02 -0.65 -1.87 112.91 113.32 2wcq h THR 79 Ca 0.05 -1.57 -0.06 0.00 0.77 0.00 0.00 66.41 65.61 2wcq h THR 79 Cb 0.50 1.41 -0.03 0.00 -1.74 0.00 0.00 68.15 68.29 2wcq h THR 79 CO 0.03 0.52 0.17 0.40 0.37 0.00 0.00 175.52 177.01 2wcq h ILE 80 N 0.72 1.24 -0.95 3.11 2.04 -0.98 -2.26 117.51 120.43 2wcq h ILE 80 Ca 0.06 -0.87 0.04 0.00 1.00 0.00 0.00 64.86 65.09 2wcq h ILE 80 Cb 0.97 0.58 -0.06 0.00 -0.74 0.00 0.00 36.82 37.58 2wcq h ILE 80 CO 0.09 0.33 0.62 -0.09 0.00 0.00 0.00 178.15 179.11 2wcq h ARG 81 N 0.93 1.14 -0.41 2.37 9.65 -0.89 -0.72 114.38 126.46 2wcq h ARG 81 Ca 0.20 -0.07 0.02 0.00 -1.10 0.00 0.00 59.98 59.03 2wcq h ARG 81 Cb 0.31 -0.26 -0.03 0.00 -1.39 0.00 0.00 29.97 28.61 2wcq h ARG 81 CO -0.00 0.75 0.23 0.28 2.80 0.00 0.00 179.97 184.03 2wcq h VAL 82 N 1.17 1.03 -0.90 0.20 2.07 -0.76 0.77 116.25 119.83 2wcq h VAL 82 Ca 0.38 -0.16 0.05 0.00 0.82 0.00 0.00 66.70 67.80 2wcq h VAL 82 Cb 0.05 0.52 -0.06 0.00 -1.52 0.00 0.00 31.29 30.28 2wcq h VAL 82 CO -0.13 0.09 0.57 0.00 0.02 0.00 0.00 177.57 178.12 2wcq h ALA 83 N 1.19 1.22 -0.52 1.67 0.00 -1.10 -1.11 119.26 120.59 2wcq h ALA 83 Ca 0.16 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 2wcq h ALA 83 Cb 0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2wcq h ALA 83 CO -0.08 0.36 -0.12 1.96 0.00 0.00 0.00 179.25 181.37 2wcq h GLN 84 N 1.06 0.99 -0.64 0.00 4.20 -0.59 -1.32 115.11 118.81 2wcq h GLN 84 Ca 0.38 -0.37 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 2wcq h GLN 84 Cb 0.11 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 2wcq h GLN 84 CO -0.15 1.04 0.37 -0.91 -0.67 0.00 0.00 178.83 178.51 2wcq h ASN 85 N 0.88 0.78 -0.00 1.46 2.35 -0.21 -0.85 115.58 119.99 2wcq h ASN 85 Ca 0.14 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.81 2wcq h ASN 85 Cb 0.68 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.85 2wcq h ASN 85 CO 0.05 0.63 0.00 0.40 -1.65 0.00 0.00 177.43 176.86 2wcq h ILE 86 N 0.87 1.03 -0.96 2.81 2.04 -0.97 -1.30 117.51 121.02 2wcq h ILE 86 Ca 0.23 -0.08 0.11 0.00 1.00 0.00 0.00 64.86 66.12 2wcq h ILE 86 Cb 0.00 1.08 -0.08 0.00 -0.74 0.00 0.00 36.82 37.08 2wcq h ILE 86 CO -0.04 0.02 0.60 0.58 0.00 0.00 0.00 178.15 179.31 2wcq h VAL 87 N -0.03 0.94 -0.48 1.67 2.07 -0.87 -1.11 116.25 118.44 2wcq h VAL 87 Ca 0.00 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.14 2wcq h VAL 87 Cb 0.03 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 29.66 2wcq h VAL 87 CO -0.00 0.18 0.13 -0.74 0.02 0.00 0.00 177.57 177.15 2wcq h HIS 88 N 0.97 0.80 -0.66 1.57 -0.00 -0.82 -1.27 115.15 115.74 2wcq h HIS 88 Ca 0.47 -0.09 -0.07 0.00 -0.00 0.00 0.00 60.37 60.67 2wcq h HIS 88 Cb 0.42 -0.23 -0.03 0.00 -0.00 0.00 0.00 27.41 27.58 2wcq h HIS 88 CO -0.02 0.72 0.13 -0.22 -0.00 0.00 0.00 177.93 178.54 2wcq h LYS 89 N 0.65 1.07 -0.66 5.26 1.63 -0.50 -1.50 116.57 122.52 2wcq h LYS 89 Ca 0.15 -0.26 -0.02 0.00 -0.85 0.00 0.00 60.65 59.67 2wcq h LYS 89 Cb 0.31 -0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 31.78 2wcq h LYS 89 CO -0.00 0.96 0.35 -0.07 -3.45 0.00 0.00 179.45 177.24 2wcq h LEU 90 N 1.01 0.84 -1.21 5.20 3.38 -1.00 -1.31 115.31 122.22 2wcq h LEU 90 Ca 0.21 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2wcq h LEU 90 Cb 0.39 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2wcq h LEU 90 CO 0.01 0.71 0.26 0.50 0.09 0.00 0.00 178.44 180.00 2wcq h LYS 91 N 0.91 0.80 0.03 1.13 3.64 -1.07 -0.08 116.57 121.93 2wcq h LYS 91 Ca 0.23 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 2wcq h LYS 91 Cb 0.07 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 2wcq h LYS 91 CO -0.03 0.64 -0.01 1.49 -2.27 0.00 0.00 179.45 179.26 2wcq h GLU 92 N 0.80 -0.04 -0.46 1.90 4.81 -0.94 -1.74 114.58 118.91 2wcq h GLU 92 Ca 0.20 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.51 2wcq h GLU 92 Cb 0.11 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.43 2wcq h GLU 92 CO -0.02 0.30 0.07 0.00 -0.73 0.00 0.00 179.01 178.63 2wcq h ALA 93 N 0.57 0.49 -0.76 2.92 0.00 -1.12 -1.41 119.26 119.95 2wcq h ALA 93 Ca -0.00 0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.04 2wcq h ALA 93 Cb 0.36 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 2wcq h ALA 93 CO 0.01 -0.33 0.48 -0.92 0.00 0.00 0.00 179.25 178.49 2wcq h TYR 94 N 0.20 0.90 -0.02 0.00 3.20 -0.89 -1.62 116.97 118.74 2wcq h TYR 94 Ca 0.23 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.12 2wcq h TYR 94 Cb 0.31 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.28 2wcq h TYR 94 CO -0.24 0.52 0.00 1.28 -1.64 0.00 0.00 178.16 178.08 2wcq n LEU 95 N -4.62 0.69 -4.85 2.82 4.77 -0.67 -4.68 117.00 110.46 2wcq n LEU 95 Ca 0.09 -0.25 -0.31 0.00 -0.03 0.00 0.00 56.01 55.51 2wcq n LEU 95 Cb 0.09 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 2wcq n LEU 95 CO 0.33 0.12 0.61 -0.44 -1.33 0.00 0.00 177.39 176.68 2wcq s SER 96 N -1.90 6.58 0.58 -1.43 0.01 -0.56 -4.97 113.70 112.00 2wcq s SER 96 Ca 0.40 1.43 0.28 0.00 1.31 0.00 0.00 55.95 59.37 2wcq s SER 96 Cb 0.20 -2.45 1.72 0.00 0.21 0.00 0.00 66.02 65.71 2wcq s SER 96 CO 0.33 -0.54 2.23 0.07 0.41 0.00 0.00 173.24 175.74 2wcq h LYS 97 N 0.98 0.00 -0.12 12.44 -0.00 -1.90 -0.83 116.57 127.14 2wcq h LYS 97 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.18 2wcq h LYS 97 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.42 2wcq h LYS 97 CO 0.62 0.01 0.00 0.25 -0.00 0.00 0.00 179.45 180.34 2wcq n THR 98 N -3.91 0.15 -1.79 0.07 -2.24 -1.26 -4.92 114.28 100.37 2wcq n THR 98 Ca -0.03 -0.24 -0.42 0.00 -2.27 0.00 0.00 64.05 61.10 2wcq n THR 98 Cb 0.10 0.15 -0.02 0.00 -2.10 0.00 0.00 70.33 68.46 2wcq n THR 98 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2wcq s ASN 99 N -1.53 6.40 0.00 3.42 2.47 -0.32 -4.91 114.94 120.46 2wcq s ASN 99 Ca 0.30 2.92 0.07 0.00 0.42 0.00 0.00 52.86 56.57 2wcq s ASN 99 Cb 0.15 -2.63 -0.01 0.00 -1.45 0.00 0.00 41.25 37.31 2wcq s ASN 99 CO 0.24 -0.90 0.50 0.54 -3.72 0.00 0.00 177.10 173.75 2wcq n ARG 100 N 2.33 2.59 -2.14 0.43 1.74 -1.26 -5.01 116.66 115.35 2wcq n ARG 100 Ca 0.09 -0.44 -0.42 0.00 -0.77 0.00 0.00 57.85 56.30 2wcq n ARG 100 Cb 0.37 -0.97 -0.03 0.00 -1.02 0.00 0.00 32.46 30.82 2wcq n ARG 100 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2wcq s ILE 101 N -1.18 3.71 0.05 0.55 1.01 -1.26 -4.93 121.20 119.15 2wcq s ILE 101 Ca 0.06 0.95 -0.15 0.00 0.00 0.00 0.00 60.65 61.50 2wcq s ILE 101 Cb 0.06 -3.61 -0.31 0.00 0.01 0.00 0.00 42.46 38.60 2wcq s ILE 101 CO 0.20 -0.06 1.07 0.11 0.00 0.00 0.00 174.94 176.26 2wcq h LYS 102 N 8.75 0.60 -7.10 2.79 1.57 -1.95 -3.47 116.57 117.77 2wcq h LYS 102 Ca -0.37 -0.87 -0.55 0.00 -1.87 0.00 0.00 60.65 56.99 2wcq h LYS 102 Cb 1.17 0.30 0.15 0.00 0.08 0.00 0.00 32.23 33.92 2wcq h LYS 102 CO 0.94 1.41 0.52 -1.14 -0.57 0.00 0.00 179.45 180.61 2wcq s GLN 103 N -2.85 2.72 -0.23 3.15 0.74 -1.26 -4.96 119.66 116.97 2wcq s GLN 103 Ca -0.09 2.04 -0.29 0.00 0.05 0.00 0.00 55.36 57.07 2wcq s GLN 103 Cb 0.05 -1.92 0.00 0.00 1.10 0.00 0.00 33.01 32.24 2wcq s GLN 103 CO 0.94 -1.46 1.14 0.21 -0.55 0.00 0.00 175.29 175.57 2wcq s LYS 104 N -3.30 4.19 -0.19 1.67 2.20 -1.26 -5.01 119.74 118.03 2wcq s LYS 104 Ca 0.80 1.40 -0.01 0.00 -0.36 0.00 0.00 55.97 57.80 2wcq s LYS 104 Cb -0.37 -3.71 0.00 0.00 -1.51 0.00 0.00 37.83 32.24 2wcq s LYS 104 CO 0.39 -0.74 -0.12 0.42 -0.36 0.00 0.00 175.35 174.94 2wcq s ILE 105 N 3.47 2.74 0.73 5.43 1.01 -1.26 -5.11 121.20 128.20 2wcq s ILE 105 Ca 0.49 -0.72 -0.08 0.00 0.00 0.00 0.00 60.65 60.34 2wcq s ILE 105 Cb -0.17 -2.20 0.06 0.00 0.01 0.00 0.00 42.46 40.17 2wcq s ILE 105 CO 0.12 0.48 1.05 0.42 0.00 0.00 0.00 174.94 177.01 2wcq s THR 106 N 1.29 2.26 0.20 2.92 -4.23 -1.26 -4.90 115.64 111.92 2wcq s THR 106 Ca 0.04 -0.18 -0.10 0.00 -1.18 0.00 0.00 61.69 60.26 2wcq s THR 106 Cb -0.14 -3.02 0.12 0.00 1.34 0.00 0.00 72.50 70.81 2wcq s THR 106 CO -0.07 -0.02 1.78 0.78 -0.54 0.00 0.00 174.62 176.55 2wcq h ASN 107 N -0.70 0.37 -0.05 3.99 2.35 -2.00 -1.54 115.58 118.00 2wcq h ASN 107 Ca -0.45 0.05 -0.06 0.00 -0.55 0.00 0.00 56.30 55.29 2wcq h ASN 107 Cb 1.32 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.66 2wcq h ASN 107 CO 0.62 0.24 -0.15 -0.33 -1.65 0.00 0.00 177.43 176.16 2wcq h GLU 108 N 0.52 0.37 -0.41 0.81 3.07 -1.99 -1.99 114.58 114.96 2wcq h GLU 108 Ca 0.28 -0.10 -0.14 0.00 -0.50 0.00 0.00 59.36 58.90 2wcq h GLU 108 Cb 0.25 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.11 2wcq h GLU 108 CO -0.22 0.52 -0.29 0.52 -1.40 0.00 0.00 179.01 178.14 2wcq h MET 109 N 0.35 0.89 -0.57 2.33 2.86 -1.76 0.10 114.93 119.13 2wcq h MET 109 Ca 0.07 -0.41 0.01 0.00 -2.06 0.00 0.00 59.70 57.31 2wcq h MET 109 Cb 0.47 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.08 2wcq h MET 109 CO 0.03 1.06 0.37 0.74 1.06 0.00 0.00 176.91 180.17 2wcq h PHE 110 N 0.76 0.70 -0.91 -0.22 0.04 -0.89 -1.71 116.94 114.70 2wcq h PHE 110 Ca 0.09 0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.88 2wcq h PHE 110 Cb 0.85 -0.23 -0.04 0.00 2.20 0.00 0.00 35.95 38.72 2wcq h PHE 110 CO 0.05 0.43 0.59 0.82 -0.60 0.00 0.00 178.31 179.60 2wcq h ILE 111 N 0.75 1.24 0.00 -0.55 2.04 -1.12 -1.49 117.51 118.38 2wcq h ILE 111 Ca 0.22 -0.44 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 2wcq h ILE 111 Cb -0.06 -0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 35.92 2wcq h ILE 111 CO -0.06 0.23 -0.11 1.56 0.00 0.00 0.00 178.15 179.77 2wcq h GLN 112 N 1.23 0.00 0.00 2.37 4.20 -0.29 -2.51 115.11 120.11 2wcq h GLN 112 Ca 0.33 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.04 2wcq h GLN 112 Cb -0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.65 2wcq h GLN 112 CO -0.07 0.11 0.00 0.52 -0.67 0.00 0.00 178.83 178.72 2wcq h MET 113 N 0.00 0.00 -0.83 1.46 2.86 -0.40 -3.23 114.93 114.79 2wcq h MET 113 Ca -0.00 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 57.75 2wcq h MET 113 Cb 0.22 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 31.80 2wcq h MET 113 CO 0.01 0.00 0.46 1.15 1.06 0.00 0.00 176.91 179.59 2wcq h THR 114 N 0.00 0.85 0.03 2.22 2.02 -1.48 -2.36 112.91 114.18 2wcq h THR 114 Ca 0.00 -0.25 -0.00 0.00 0.77 0.00 0.00 66.41 66.93 2wcq h THR 114 Cb 0.39 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 2wcq h THR 114 CO 0.00 0.13 -0.01 -0.61 0.37 0.00 0.00 175.52 175.40 2wcq h GLN 115 N 0.73 -0.04 -0.12 6.66 5.75 -1.78 0.32 115.11 126.64 2wcq h GLN 115 Ca 0.42 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.89 2wcq h GLN 115 Cb 0.46 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.01 2wcq h GLN 115 CO -0.28 0.45 -0.08 -1.00 -2.65 0.00 0.00 178.83 175.27 2wcq h PRO 116 N -0.53 0.17 0.15 -2.39 0.13 -1.73 0.74 132.00 128.54 2wcq h PRO 116 Ca -0.00 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.09 2wcq h PRO 116 Cb 0.50 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.60 2wcq h PRO 116 CO 0.01 0.26 -0.07 0.82 -0.23 0.00 0.00 178.00 178.79 2wcq h ILE 117 N 0.17 0.98 -0.71 -3.56 2.04 -1.29 -2.62 117.51 112.52 2wcq h ILE 117 Ca 0.04 -0.61 0.15 0.00 1.00 0.00 0.00 64.86 65.44 2wcq h ILE 117 Cb 0.25 1.35 -0.10 0.00 -0.74 0.00 0.00 36.82 37.57 2wcq h ILE 117 CO 0.01 0.14 0.16 0.22 0.00 0.00 0.00 178.15 178.69 2wcq h TYR 118 N -0.50 0.25 -0.47 1.37 3.20 -0.53 -1.66 116.97 118.63 2wcq h TYR 118 Ca -0.02 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2wcq h TYR 118 Cb 0.39 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 2wcq h TYR 118 CO 0.02 -0.07 0.30 -0.44 -1.64 0.00 0.00 178.16 176.33 2wcq h ASP 119 N 0.27 0.54 0.63 -2.11 3.32 -0.76 -2.56 116.42 115.74 2wcq h ASP 119 Ca 0.39 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.42 2wcq h ASP 119 Cb 0.65 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.06 2wcq h ASP 119 CO -0.49 0.41 -0.28 -1.54 -1.72 0.00 0.00 179.24 175.62 2wcq n SER 120 N -4.45 0.36 -4.77 6.45 3.41 -0.65 -4.91 113.62 109.05 2wcq n SER 120 Ca 0.04 -0.09 -0.40 0.00 -0.26 0.00 0.00 58.87 58.16 2wcq n SER 120 Cb 0.06 -0.04 -0.00 0.00 -0.26 0.00 0.00 64.21 63.97 2wcq n SER 120 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2wcq s LEU 121 N -2.90 4.25 0.02 1.04 1.43 -0.97 -0.44 118.68 121.10 2wcq s LEU 121 Ca 0.15 2.77 0.05 0.00 -1.03 0.00 0.00 54.13 56.06 2wcq s LEU 121 Cb 0.18 -3.83 -0.02 0.00 0.03 0.00 0.00 46.19 42.55 2wcq s LEU 121 CO 0.61 -0.86 -0.14 -0.04 0.23 0.00 0.00 176.35 176.14 2wcq s MET 122 N -2.18 1.04 -1.09 1.70 -1.94 -0.40 -4.85 119.30 111.57 2wcq s MET 122 Ca 0.56 -0.64 -0.14 0.00 -1.71 0.00 0.00 55.69 53.75 2wcq s MET 122 Cb -0.41 -1.03 -0.04 0.00 2.01 0.00 0.00 34.83 35.37 2wcq s MET 122 CO 0.53 0.27 0.85 0.09 -0.01 0.00 0.00 175.02 176.75 2wcq n ASN 123 N 2.28 -5.96 -4.54 3.03 4.13 -1.26 -2.60 115.26 110.33 2wcq n ASN 123 Ca -0.16 -0.87 -0.43 0.00 1.68 0.00 0.00 54.58 54.80 2wcq n ASN 123 Cb 0.55 -4.22 -0.05 0.00 -1.54 0.00 0.00 39.78 34.52 2wcq n ASN 123 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2wcq s VAL 124 N -3.42 4.60 -0.00 2.41 1.01 -1.26 -1.63 120.40 122.11 2wcq s VAL 124 Ca 0.47 0.47 -0.21 0.00 0.00 0.00 0.00 61.98 62.70 2wcq s VAL 124 Cb -0.12 -4.36 -0.05 0.00 0.00 0.00 0.00 36.38 31.85 2wcq s VAL 124 CO 0.81 -0.77 0.63 -1.81 0.00 0.00 0.00 175.10 173.96 2wcq s ASP 125 N 2.21 7.01 -0.50 3.32 1.01 -0.11 -4.87 116.67 124.75 2wcq s ASP 125 Ca 0.31 1.21 -0.27 0.00 0.71 0.00 0.00 52.55 54.51 2wcq s ASP 125 Cb -0.12 -2.38 0.03 0.00 1.01 0.00 0.00 42.92 41.46 2wcq s ASP 125 CO 0.23 0.07 1.03 -0.60 0.21 0.00 0.00 175.17 176.11 2wcq s ARG 126 N -0.09 3.55 0.22 8.23 3.52 -1.26 -0.77 118.95 132.36 2wcq s ARG 126 Ca 0.33 0.22 0.23 0.00 -0.13 0.00 0.00 55.73 56.37 2wcq s ARG 126 Cb -0.19 -3.95 0.06 0.00 -1.56 0.00 0.00 34.95 29.31 2wcq s ARG 126 CO 0.18 -1.38 1.13 -0.07 -0.81 0.00 0.00 175.30 174.35 2wcq h LEU 127 N 11.02 0.00 -7.00 -0.88 3.38 -0.16 -3.49 115.31 118.18 2wcq h LEU 127 Ca -0.24 -0.02 0.10 0.00 0.09 0.00 0.00 57.88 57.81 2wcq h LEU 127 Cb 1.07 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.62 2wcq h LEU 127 CO 1.09 0.01 0.53 -0.83 0.09 0.00 0.00 178.44 179.33 2wcq s GLY 128 N -4.30 -0.35 -0.03 0.83 0.00 -1.07 -4.97 107.32 97.44 2wcq s GLY 128 Ca 0.01 1.59 0.02 0.00 0.00 0.00 0.00 44.72 46.34 2wcq s GLY 128 CO 0.77 0.73 -0.08 -0.42 0.00 0.00 0.00 173.10 174.10 2wcq s ILE 129 N -1.96 0.72 -0.03 0.90 -1.09 -1.26 -1.59 121.20 116.89 2wcq s ILE 129 Ca 0.01 -0.32 0.02 0.00 -2.23 0.00 0.00 60.65 58.14 2wcq s ILE 129 Cb -0.01 -0.65 0.01 0.00 -1.58 0.00 0.00 42.46 40.23 2wcq s ILE 129 CO -0.03 0.23 -0.08 -0.47 -1.23 0.00 0.00 174.94 173.37 2wcq s TYR 130 N 0.28 0.92 -0.20 3.97 5.04 0.09 -4.99 117.35 122.46 2wcq s TYR 130 Ca -0.04 -0.25 -0.02 0.00 -2.44 0.00 0.00 57.07 54.32 2wcq s TYR 130 Cb -0.09 -0.69 -0.00 0.00 0.35 0.00 0.00 41.96 41.53 2wcq s TYR 130 CO 0.00 -0.13 -0.08 0.42 -1.34 0.00 0.00 175.55 174.42 2wcq s ILE 131 N 0.41 3.06 -0.21 3.14 1.01 -1.26 0.29 121.20 127.64 2wcq s ILE 131 Ca -0.06 -0.60 -0.29 0.00 0.00 0.00 0.00 60.65 59.69 2wcq s ILE 131 Cb -0.10 -2.37 -0.02 0.00 0.01 0.00 0.00 42.46 39.98 2wcq s ILE 131 CO 0.01 0.46 1.48 0.21 0.00 0.00 0.00 174.94 177.09 2wcq s ASN 132 N 1.35 6.58 0.58 3.58 3.84 -0.22 -4.91 114.94 125.74 2wcq s ASN 132 Ca 0.04 1.59 0.37 0.00 0.21 0.00 0.00 52.86 55.07 2wcq s ASN 132 Cb -0.14 -2.54 1.69 0.00 -0.55 0.00 0.00 41.25 39.71 2wcq s ASN 132 CO -0.05 -1.10 2.10 1.55 -2.79 0.00 0.00 177.10 176.82 2wcq h PRO 133 N 9.81 0.00 0.06 0.43 0.13 -1.96 0.28 132.00 140.76 2wcq h PRO 133 Ca -0.31 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.55 2wcq h PRO 133 Cb 1.13 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.28 2wcq h PRO 133 CO 1.00 0.01 -1.11 -0.91 -0.23 0.00 0.00 178.00 176.76 2wcq h ASN 134 N 0.00 0.71 0.00 1.44 2.35 -1.98 -3.37 115.58 114.73 2wcq h ASN 134 Ca -0.00 -0.62 0.00 0.00 -0.55 0.00 0.00 56.30 55.13 2wcq h ASN 134 Cb 0.35 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.50 2wcq h ASN 134 CO 0.00 1.44 0.00 -0.46 -1.65 0.00 0.00 177.43 176.76 2wcq n ASN 135 N -3.75 1.61 -2.10 5.81 6.94 -1.19 -5.01 115.26 117.56 2wcq n ASN 135 Ca -0.10 -1.72 -0.15 0.00 -0.02 0.00 0.00 54.58 52.58 2wcq n ASN 135 Cb 0.92 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 38.32 2wcq n ASN 135 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2wcq n GLU 136 N -0.36 -1.81 -2.76 -3.83 4.71 0.99 -4.76 120.64 112.82 2wcq n GLU 136 Ca 0.00 0.79 -0.38 0.00 -0.01 0.00 0.00 57.16 57.56 2wcq n GLU 136 Cb 0.23 -5.30 -0.06 0.00 -1.01 0.00 0.00 31.44 25.30 2wcq n GLU 136 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 2wcq s GLU 137 N -4.46 4.68 -0.19 3.49 2.12 -1.22 -4.15 118.70 118.97 2wcq s GLU 137 Ca 0.00 1.40 -0.05 0.00 0.36 0.00 0.00 54.97 56.67 2wcq s GLU 137 Cb 0.00 -2.98 -0.03 0.00 0.26 0.00 0.00 34.13 31.38 2wcq s GLU 137 CO 0.00 0.36 0.01 0.08 -0.54 0.00 0.00 175.26 175.17 2wcq s VAL 138 N -1.45 4.16 -0.07 3.70 1.01 -0.21 -1.05 120.40 126.48 2wcq s VAL 138 Ca 0.47 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.20 2wcq s VAL 138 Cb -0.22 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 2wcq s VAL 138 CO 0.27 0.44 -0.05 -0.36 0.00 0.00 0.00 175.10 175.40 2wcq s PHE 139 N 0.76 2.99 -0.03 5.22 0.40 0.15 -1.32 117.98 126.14 2wcq s PHE 139 Ca 0.01 0.06 0.06 0.00 -0.60 0.00 0.00 56.93 56.46 2wcq s PHE 139 Cb -0.14 -1.73 -0.01 0.00 0.51 0.00 0.00 43.02 41.65 2wcq s PHE 139 CO 0.02 0.37 -0.20 0.00 0.70 0.00 0.00 175.22 176.11 2wcq s ALA 140 N -0.83 1.70 -0.20 5.36 0.00 -0.29 -0.73 121.76 126.78 2wcq s ALA 140 Ca 0.13 -0.83 -0.04 0.00 0.00 0.00 0.00 51.96 51.21 2wcq s ALA 140 Cb -0.11 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.49 2wcq s ALA 140 CO 0.02 0.36 -0.02 -1.17 0.00 0.00 0.00 175.76 174.95 2wcq s LEU 141 N -0.24 3.11 0.19 0.00 2.96 -0.62 -2.48 118.68 121.61 2wcq s LEU 141 Ca 0.02 -0.26 0.08 0.00 -0.22 0.00 0.00 54.13 53.74 2wcq s LEU 141 Cb -0.10 -1.78 -0.05 0.00 0.50 0.00 0.00 46.19 44.76 2wcq s LEU 141 CO 0.01 0.06 -0.15 0.68 -1.32 0.00 0.00 176.35 175.63 2wcq s VAL 142 N 1.04 1.71 -0.06 1.68 -7.23 -0.12 0.62 120.40 118.03 2wcq s VAL 142 Ca 0.01 -2.15 -0.02 0.00 -1.81 0.00 0.00 61.98 58.01 2wcq s VAL 142 Cb -0.14 -1.99 0.04 0.00 0.56 0.00 0.00 36.38 34.84 2wcq s VAL 142 CO 0.01 -0.56 0.11 -0.60 -0.31 0.00 0.00 175.10 173.75 2wcq s ARG 143 N -3.51 0.01 -0.20 4.82 3.52 0.05 -1.30 118.95 122.35 2wcq s ARG 143 Ca 0.21 0.40 -0.29 0.00 -0.13 0.00 0.00 55.73 55.92 2wcq s ARG 143 Cb -0.01 -0.29 -0.00 0.00 -1.56 0.00 0.00 34.95 33.09 2wcq s ARG 143 CO 0.06 -0.24 1.12 0.00 -0.81 0.00 0.00 175.30 175.43 2wcq s ALA 144 N 1.72 3.66 0.32 6.12 0.00 -0.39 -0.93 121.76 132.26 2wcq s ALA 144 Ca -0.02 0.30 0.08 0.00 0.00 0.00 0.00 51.96 52.31 2wcq s ALA 144 Cb -0.12 -3.57 0.56 0.00 0.00 0.00 0.00 23.12 19.99 2wcq s ALA 144 CO -0.05 -1.06 1.76 0.00 0.00 0.00 0.00 175.76 176.42 2wcq h ARG 145 N 7.68 0.20 0.00 0.00 3.08 -1.23 -3.47 114.38 120.64 2wcq h ARG 145 Ca -0.23 -0.08 0.02 0.00 0.07 0.00 0.00 59.98 59.76 2wcq h ARG 145 Cb 1.08 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.12 2wcq h ARG 145 CO 0.97 0.53 0.09 0.41 -1.07 0.00 0.00 179.97 180.90 2wcq n GLY 146 N -0.36 1.43 3.36 0.04 0.00 -1.07 -5.05 105.19 103.54 2wcq n GLY 146 Ca -0.01 -1.00 -0.10 0.00 0.00 0.00 0.00 46.02 44.91 2wcq n GLY 146 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2wcq s PHE 147 N -6.26 0.10 -0.44 1.61 -0.71 -1.26 -1.27 117.98 109.76 2wcq s PHE 147 Ca 0.04 -0.47 -0.17 0.00 -1.04 0.00 0.00 56.93 55.29 2wcq s PHE 147 Cb -0.01 0.12 0.03 0.00 -1.21 0.00 0.00 43.02 41.96 2wcq s PHE 147 CO 0.02 -0.74 0.43 0.34 -1.34 0.00 0.00 175.22 173.93 2wcq s ASP 148 N -2.89 6.18 0.21 1.98 2.15 0.42 -4.88 116.67 119.83 2wcq s ASP 148 Ca 0.10 -0.83 -0.10 0.00 0.43 0.00 0.00 52.55 52.15 2wcq s ASP 148 Cb 0.02 -2.22 0.23 0.00 -0.30 0.00 0.00 42.92 40.66 2wcq s ASP 148 CO -0.05 -0.61 1.81 0.50 -0.17 0.00 0.00 175.17 176.65 2wcq h LYS 149 N 8.75 0.66 -0.48 4.34 3.64 -2.00 -2.00 116.57 129.48 2wcq h LYS 149 Ca -0.27 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 58.95 2wcq h LYS 149 Cb 1.11 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.77 2wcq h LYS 149 CO 0.82 0.44 -0.19 -0.44 -2.27 0.00 0.00 179.45 177.80 2wcq h ASP 150 N 0.68 1.00 -0.73 4.20 3.32 -2.00 -1.47 116.42 121.44 2wcq h ASP 150 Ca 0.29 -0.39 -0.06 0.00 0.02 0.00 0.00 57.03 56.90 2wcq h ASP 150 Cb 0.17 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 2wcq h ASP 150 CO -0.18 1.17 0.23 0.00 -1.72 0.00 0.00 179.24 178.74 2wcq h ALA 151 N 0.87 0.95 -0.13 3.45 0.00 -1.92 -1.90 119.26 120.58 2wcq h ALA 151 Ca 0.11 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2wcq h ALA 151 Cb 0.77 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2wcq h ALA 151 CO 0.06 0.63 0.08 1.25 0.00 0.00 0.00 179.25 181.27 2wcq h LEU 152 N 1.07 0.16 -0.13 0.00 5.85 -1.04 -1.21 115.31 120.01 2wcq h LEU 152 Ca 0.23 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 2wcq h LEU 152 Cb 0.30 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 2wcq h LEU 152 CO -0.01 0.15 0.08 0.28 -0.34 0.00 0.00 178.44 178.61 2wcq h SER 153 N 0.14 0.16 -0.59 1.25 0.02 -1.12 0.56 113.55 113.98 2wcq h SER 153 Ca 0.05 -0.05 0.07 0.00 -0.84 0.00 0.00 61.79 61.01 2wcq h SER 153 Cb 0.03 -0.04 -0.06 0.00 0.14 0.00 0.00 62.40 62.47 2wcq h SER 153 CO -0.01 0.17 0.27 -0.08 -1.14 0.00 0.00 176.83 176.04 2wcq h GLU 154 N 0.14 0.49 -0.53 3.45 4.81 -1.34 0.11 114.58 121.71 2wcq h GLU 154 Ca 0.05 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 2wcq h GLU 154 Cb 0.04 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 2wcq h GLU 154 CO -0.01 0.32 0.28 0.78 -0.73 0.00 0.00 179.01 179.65 2wcq h GLY 155 N 0.50 0.79 1.38 1.92 0.00 -0.69 -2.20 103.07 104.77 2wcq h GLY 155 Ca 0.28 -0.37 -0.15 0.00 0.00 0.00 0.00 47.33 47.10 2wcq h GLY 155 CO -0.23 0.35 -0.42 1.41 0.00 0.00 0.00 176.54 177.65 2wcq h LEU 156 N 0.70 0.73 -1.60 3.11 3.38 -0.42 -2.76 115.31 118.45 2wcq h LEU 156 Ca 0.18 -0.34 0.08 0.00 0.09 0.00 0.00 57.88 57.89 2wcq h LEU 156 Cb 0.07 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 2wcq h LEU 156 CO -0.03 1.05 0.38 0.45 0.09 0.00 0.00 178.44 180.39 2wcq h HIS 157 N 0.55 0.49 0.00 1.13 3.86 -0.67 -1.90 115.15 118.61 2wcq h HIS 157 Ca 0.04 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 2wcq h HIS 157 Cb 0.96 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 29.27 2wcq h HIS 157 CO 0.05 0.25 0.00 0.87 0.86 0.00 0.00 177.93 179.96 2wcq h LYS 158 N 0.47 0.00 -0.90 2.45 6.56 -1.10 -3.22 116.57 120.83 2wcq h LYS 158 Ca 0.26 0.00 -0.57 0.00 -1.06 0.00 0.00 60.65 59.28 2wcq h LYS 158 Cb 0.40 0.00 -0.29 0.00 -0.57 0.00 0.00 32.23 31.77 2wcq h LYS 158 CO -0.07 0.00 0.54 0.00 -2.06 0.00 0.00 179.45 177.85 2wcq n MET 159 N -2.44 2.56 -2.68 3.15 0.00 -0.71 -4.94 117.12 112.05 2wcq n MET 159 Ca 0.04 -3.29 -0.20 0.00 0.00 0.00 0.00 57.70 54.25 2wcq n MET 159 Cb 0.38 -2.21 0.01 0.00 0.00 0.00 0.00 33.22 31.41 2wcq n MET 159 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 2wcq n SER 160 N -0.99 -5.75 -4.78 3.17 7.64 -1.22 -5.01 113.62 106.69 2wcq n SER 160 Ca 0.57 -0.15 -0.39 0.00 1.01 0.00 0.00 58.87 59.91 2wcq n SER 160 Cb 1.04 -4.67 -0.06 0.00 -1.01 0.00 0.00 64.21 59.51 2wcq n SER 160 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2wcq s LEU 161 N -5.97 4.50 0.88 -3.43 1.43 -1.24 -5.08 118.68 109.77 2wcq s LEU 161 Ca 0.15 1.32 -0.12 0.00 -1.03 0.00 0.00 54.13 54.45 2wcq s LEU 161 Cb -0.07 -3.01 0.12 0.00 0.03 0.00 0.00 46.19 43.26 2wcq s LEU 161 CO 0.18 0.18 1.10 1.51 0.23 0.00 0.00 176.35 179.56 2wcq s ASP 162 N -0.70 3.70 0.24 2.29 1.47 -1.26 -4.74 116.67 117.67 2wcq s ASP 162 Ca 0.32 1.26 -0.05 0.00 1.18 0.00 0.00 52.55 55.25 2wcq s ASP 162 Cb -0.20 -1.93 0.38 0.00 -0.34 0.00 0.00 42.92 40.83 2wcq s ASP 162 CO 0.20 -2.46 1.81 0.78 0.68 0.00 0.00 175.17 176.17 2wcq h ASN 163 N -1.43 0.65 -0.38 2.11 2.35 -2.00 -1.80 115.58 115.08 2wcq h ASN 163 Ca -0.50 0.05 -0.04 0.00 -0.55 0.00 0.00 56.30 55.26 2wcq h ASN 163 Cb 1.30 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 39.58 2wcq h ASN 163 CO 0.58 0.37 0.07 -0.61 -1.65 0.00 0.00 177.43 176.20 2wcq h GLN 164 N 0.77 0.62 -0.46 0.81 4.15 -1.99 -1.43 115.11 117.57 2wcq h GLN 164 Ca 0.38 -0.16 -0.01 0.00 0.77 0.00 0.00 58.65 59.64 2wcq h GLN 164 Cb 0.35 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.94 2wcq h GLN 164 CO -0.24 0.67 0.27 0.00 -1.93 0.00 0.00 178.83 177.60 2wcq h ALA 165 N 0.92 0.59 -0.46 3.38 0.00 -1.80 -1.00 119.26 120.90 2wcq h ALA 165 Ca 0.12 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2wcq h ALA 165 Cb 0.35 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2wcq h ALA 165 CO 0.01 0.10 0.21 0.28 0.00 0.00 0.00 179.25 179.84 2wcq h VAL 166 N 0.61 1.19 -0.68 0.00 2.07 -1.23 0.16 116.25 118.38 2wcq h VAL 166 Ca 0.16 -0.55 -0.04 0.00 0.82 0.00 0.00 66.70 67.09 2wcq h VAL 166 Cb 0.02 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 2wcq h VAL 166 CO -0.03 0.21 0.27 -1.28 0.02 0.00 0.00 177.57 176.77 2wcq h SER 167 N 0.59 0.93 -0.10 0.57 0.87 -0.88 -0.31 113.55 115.23 2wcq h SER 167 Ca 0.16 -0.17 -0.23 0.00 -1.23 0.00 0.00 61.79 60.32 2wcq h SER 167 Cb 0.14 -0.24 0.01 0.00 -0.44 0.00 0.00 62.40 61.87 2wcq h SER 167 CO -0.02 0.85 -0.80 0.40 -0.53 0.00 0.00 176.83 176.73 2wcq h ILE 168 N 0.96 1.28 -0.63 2.23 2.04 -0.87 -2.28 117.51 120.24 2wcq h ILE 168 Ca 0.23 -2.02 -0.00 0.00 1.00 0.00 0.00 64.86 64.07 2wcq h ILE 168 Cb 0.20 2.03 -0.03 0.00 -0.74 0.00 0.00 36.82 38.28 2wcq h ILE 168 CO -0.02 0.64 0.38 -0.07 0.00 0.00 0.00 178.15 179.08 2wcq h LEU 169 N 0.51 0.76 -0.51 1.44 3.38 -0.29 -1.25 115.31 119.35 2wcq h LEU 169 Ca -0.06 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 2wcq h LEU 169 Cb 1.43 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 2wcq h LEU 169 CO 0.16 0.60 0.05 0.58 0.09 0.00 0.00 178.44 179.92 2wcq h VAL 170 N 0.86 1.26 -0.95 1.22 2.07 -1.05 -1.62 116.25 118.04 2wcq h VAL 170 Ca 0.23 -1.01 0.01 0.00 0.82 0.00 0.00 66.70 66.75 2wcq h VAL 170 Cb -0.02 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 2wcq h VAL 170 CO -0.04 0.36 0.63 0.00 0.02 0.00 0.00 177.57 178.53 2wcq h ALA 171 N 0.96 1.33 -0.54 1.67 0.00 -1.18 0.35 119.26 121.84 2wcq h ALA 171 Ca 0.15 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 2wcq h ALA 171 Cb 0.45 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2wcq h ALA 171 CO 0.02 0.62 -0.12 -0.22 0.00 0.00 0.00 179.25 179.54 2wcq h LYS 172 N 1.28 1.04 -0.52 0.00 1.63 -0.92 -0.70 116.57 118.39 2wcq h LYS 172 Ca 0.35 -0.39 -0.04 0.00 -0.85 0.00 0.00 60.65 59.72 2wcq h LYS 172 Cb -0.14 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.41 2wcq h LYS 172 CO -0.08 1.09 0.17 0.28 -3.45 0.00 0.00 179.45 177.46 2wcq h VAL 173 N 0.92 1.23 -0.40 2.00 2.07 -0.91 0.28 116.25 121.44 2wcq h VAL 173 Ca 0.14 -0.75 0.08 0.00 0.82 0.00 0.00 66.70 66.99 2wcq h VAL 173 Cb 0.70 0.74 -0.07 0.00 -1.52 0.00 0.00 31.29 31.14 2wcq h VAL 173 CO 0.05 0.28 -0.08 -0.33 0.02 0.00 0.00 177.57 177.51 2wcq h GLU 174 N 0.70 0.02 -0.66 1.57 5.08 -0.73 -2.16 114.58 118.40 2wcq h GLU 174 Ca 0.17 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2wcq h GLU 174 Cb 0.25 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 2wcq h GLU 174 CO -0.01 0.01 0.43 1.49 -1.00 0.00 0.00 179.01 179.94 2wcq h GLU 175 N 0.02 0.87 -0.46 2.33 4.22 -0.62 0.01 114.58 120.95 2wcq h GLU 175 Ca 0.19 -0.06 0.08 0.00 0.08 0.00 0.00 59.36 59.65 2wcq h GLU 175 Cb 0.29 -0.19 -0.06 0.00 0.50 0.00 0.00 28.75 29.28 2wcq h GLU 175 CO -0.39 0.58 0.09 0.82 -2.18 0.00 0.00 179.01 177.94 2wcq h ILE 176 N 0.89 0.75 -0.36 2.32 2.04 -0.42 -0.20 117.51 122.54 2wcq h ILE 176 Ca 0.24 -0.08 -0.10 0.00 1.00 0.00 0.00 64.86 65.92 2wcq h ILE 176 Cb -0.09 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 2wcq h ILE 176 CO -0.05 0.04 -0.16 -0.26 0.00 0.00 0.00 178.15 177.72 2wcq h PHE 177 N 0.23 0.85 -0.69 1.37 0.04 -1.11 -2.87 116.94 114.75 2wcq h PHE 177 Ca 0.23 -0.21 0.03 0.00 2.80 0.00 0.00 57.97 60.82 2wcq h PHE 177 Cb 0.29 -0.20 -0.04 0.00 2.20 0.00 0.00 35.95 38.20 2wcq h PHE 177 CO -0.22 0.93 0.43 -0.22 -0.60 0.00 0.00 178.31 178.63 2wcq h LYS 178 N 0.52 0.81 -0.58 1.51 1.63 -0.51 -3.06 116.57 116.90 2wcq h LYS 178 Ca 0.08 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 2wcq h LYS 178 Cb 0.69 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 32.14 2wcq h LYS 178 CO 0.05 0.54 0.00 -0.25 -3.45 0.00 0.00 179.45 176.34 2wcq n ASP 179 N -4.68 5.62 -4.74 4.20 8.00 -0.13 -5.01 116.55 119.82 2wcq n ASP 179 Ca 0.07 -2.88 -0.41 0.00 0.71 0.00 0.00 54.79 52.28 2wcq n ASP 179 Cb 0.09 -0.67 -0.03 0.00 -0.02 0.00 0.00 41.12 40.48 2wcq n ASP 179 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2wcq s SER 180 N -0.83 7.12 0.00 -2.24 1.04 -1.09 -5.02 113.70 112.68 2wcq s SER 180 Ca 0.54 2.19 0.00 0.00 0.48 0.00 0.00 55.95 59.16 2wcq s SER 180 Cb 0.41 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.92 2wcq s SER 180 CO 0.17 -0.36 0.09 0.52 0.98 0.00 0.00 173.24 174.64