#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h5t n GLN 8 N 0.00 0.00 -1.55 3.69 -0.06 -1.26 -4.86 117.38 113.34 3h5t n GLN 8 Ca 0.00 0.00 -0.42 0.00 -2.00 0.00 0.00 57.00 54.58 3h5t n GLN 8 Cb 0.00 0.00 0.01 0.00 -4.06 0.00 0.00 30.24 26.19 3h5t n GLN 8 CO 0.00 0.00 0.00 0.98 -0.20 0.00 0.00 177.06 177.84 3h5t n TYR 9 N -0.27 0.57 -1.15 3.69 9.36 -1.26 -3.31 117.16 124.79 3h5t n TYR 9 Ca 0.00 0.59 -0.05 0.00 3.32 0.00 0.00 57.90 61.76 3h5t n TYR 9 Cb 0.00 -2.14 -0.02 0.00 -0.63 0.00 0.00 39.34 36.55 3h5t n TYR 9 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3h5t n GLY 10 N 1.41 0.77 0.20 2.98 0.00 -1.26 -4.95 105.19 104.34 3h5t n GLY 10 Ca 0.11 -0.50 -0.02 0.00 0.00 0.00 0.00 46.02 45.60 3h5t n GLY 10 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3h5t h THR 11 N 0.00 0.67 -0.61 2.61 2.02 -1.88 -0.96 112.91 114.75 3h5t h THR 11 Ca -0.11 -0.06 -0.06 0.00 0.77 0.00 0.00 66.41 66.95 3h5t h THR 11 Cb 0.45 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 3h5t h THR 11 CO 0.16 0.03 0.14 -0.07 0.37 0.00 0.00 175.52 176.15 3h5t h LEU 12 N 0.17 0.91 -0.86 2.58 4.07 -1.92 -2.13 115.31 118.13 3h5t h LEU 12 Ca 0.25 -0.18 -0.08 0.00 0.08 0.00 0.00 57.88 57.94 3h5t h LEU 12 Cb 0.35 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.83 3h5t h LEU 12 CO -0.36 0.88 -0.06 0.00 -1.08 0.00 0.00 178.44 177.82 3h5t h ALA 13 N 1.23 1.04 -0.21 1.53 0.00 -1.74 -1.39 119.26 119.72 3h5t h ALA 13 Ca 0.20 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3h5t h ALA 13 Cb 0.34 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3h5t h ALA 13 CO 0.00 0.59 0.08 0.77 0.00 0.00 0.00 179.25 180.69 3h5t h SER 14 N 0.73 0.30 -0.65 0.00 0.02 -0.90 0.52 113.55 113.57 3h5t h SER 14 Ca 0.13 -0.17 0.02 0.00 -0.84 0.00 0.00 61.79 60.93 3h5t h SER 14 Cb 0.53 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.95 3h5t h SER 14 CO 0.03 0.39 0.41 0.40 -1.14 0.00 0.00 176.83 176.92 3h5t h ILE 15 N 0.18 1.10 -0.42 3.27 2.04 -1.21 0.57 117.51 123.05 3h5t h ILE 15 Ca 0.07 -0.28 -0.03 0.00 1.00 0.00 0.00 64.86 65.63 3h5t h ILE 15 Cb 0.19 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 3h5t h ILE 15 CO -0.00 0.15 0.16 0.00 0.00 0.00 0.00 178.15 178.45 3h5t h ALA 16 N 1.27 0.54 -0.50 1.87 0.00 -1.02 -2.61 119.26 118.82 3h5t h ALA 16 Ca 0.26 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3h5t h ALA 16 Cb -0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3h5t h ALA 16 CO -0.09 0.16 0.30 0.00 0.00 0.00 0.00 179.25 179.61 3h5t h ALA 17 N 1.00 0.64 0.00 0.00 0.00 -0.41 0.32 119.26 120.82 3h5t h ALA 17 Ca 0.14 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3h5t h ALA 17 Cb 0.21 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3h5t h ALA 17 CO -0.01 0.14 -0.11 -0.22 0.00 0.00 0.00 179.25 179.05 3h5t h LYS 18 N 0.67 0.00 -0.06 0.00 3.64 -0.78 -2.73 116.57 117.31 3h5t h LYS 18 Ca 0.18 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 3h5t h LYS 18 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3h5t h LYS 18 CO -0.03 0.11 0.00 1.28 -2.27 0.00 0.00 179.45 178.54 3h5t n LEU 19 N -3.95 2.57 -1.82 5.20 4.77 -0.80 -4.98 117.00 117.99 3h5t n LEU 19 Ca -0.02 -1.07 -0.16 0.00 -0.03 0.00 0.00 56.01 54.72 3h5t n LEU 19 Cb 0.20 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.26 3h5t n LEU 19 CO 0.32 0.47 -0.21 0.61 -1.33 0.00 0.00 177.39 177.25 3h5t n GLY 20 N 1.02 -0.27 1.79 -0.72 0.00 0.96 -5.01 105.19 102.96 3h5t n GLY 20 Ca 0.11 -0.21 -0.16 0.00 0.00 0.00 0.00 46.02 45.76 3h5t n GLY 20 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3h5t n ILE 21 N -4.00 0.00 -3.04 -0.61 -5.35 -0.22 -5.02 119.36 101.13 3h5t n ILE 21 Ca -0.19 -1.18 -0.26 0.00 -0.27 0.00 0.00 62.75 60.85 3h5t n ILE 21 Cb 0.64 0.22 -0.01 0.00 -1.74 0.00 0.00 39.64 38.75 3h5t n ILE 21 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 3h5t s SER 22 N -2.38 6.31 0.38 7.28 0.01 -1.26 -4.33 113.70 119.71 3h5t s SER 22 Ca 0.00 0.71 0.13 0.00 1.31 0.00 0.00 55.95 58.10 3h5t s SER 22 Cb -0.00 -2.15 0.77 0.00 0.21 0.00 0.00 66.02 64.85 3h5t s SER 22 CO 0.00 -0.41 1.86 0.08 0.41 0.00 0.00 173.24 175.18 3h5t h ARG 23 N 0.66 0.01 -0.19 12.44 0.11 -1.91 -1.23 114.38 124.28 3h5t h ARG 23 Ca -0.48 -0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.49 3h5t h ARG 23 Cb 1.21 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.27 3h5t h ARG 23 CO 0.62 0.34 -0.33 1.15 0.10 0.00 0.00 179.97 181.85 3h5t h THR 24 N 0.01 1.28 -0.18 0.08 2.02 -1.94 -0.58 112.91 113.61 3h5t h THR 24 Ca -0.00 -1.40 0.02 0.00 0.77 0.00 0.00 66.41 65.80 3h5t h THR 24 Cb 0.59 1.51 -0.02 0.00 -1.74 0.00 0.00 68.15 68.49 3h5t h THR 24 CO 0.04 0.43 0.06 0.74 0.37 0.00 0.00 175.52 177.16 3h5t h THR 25 N 0.34 0.95 -0.67 3.16 2.02 -1.62 0.73 112.91 117.82 3h5t h THR 25 Ca 0.04 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 3h5t h THR 25 Cb 0.75 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.93 3h5t h THR 25 CO 0.06 0.03 0.38 0.58 0.37 0.00 0.00 175.52 176.94 3h5t h VAL 26 N 0.15 1.20 -0.27 3.16 2.07 -1.04 -2.75 116.25 118.77 3h5t h VAL 26 Ca 0.08 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.11 3h5t h VAL 26 Cb 0.05 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 3h5t h VAL 26 CO -0.08 0.22 0.17 -1.28 0.02 0.00 0.00 177.57 176.62 3h5t h SER 27 N 0.91 0.32 -0.75 0.57 0.87 -0.54 -2.28 113.55 112.65 3h5t h SER 27 Ca 0.24 -0.03 0.14 0.00 -1.23 0.00 0.00 61.79 60.91 3h5t h SER 27 Cb 0.02 -0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 61.85 3h5t h SER 27 CO -0.04 0.26 0.50 0.78 -0.53 0.00 0.00 176.83 177.80 3h5t h ASN 28 N 0.36 0.43 -0.48 6.23 2.35 -0.61 0.52 115.58 124.37 3h5t h ASN 28 Ca 0.10 0.02 0.12 0.00 -0.55 0.00 0.00 56.30 55.99 3h5t h ASN 28 Cb -0.01 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 3h5t h ASN 28 CO -0.02 0.23 0.34 0.00 -1.65 0.00 0.00 177.43 176.32 3h5t h ALA 29 N 1.64 2.29 0.04 -0.83 0.00 -1.13 0.11 119.26 121.39 3h5t h ALA 29 Ca 0.37 -0.01 -0.37 0.00 0.00 0.00 0.00 54.91 54.89 3h5t h ALA 29 Cb 0.78 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 3h5t h ALA 29 CO -0.12 -0.42 -2.17 0.66 0.00 0.00 0.00 179.25 177.20 3h5t n TYR 30 N -4.43 0.58 0.18 0.00 4.01 0.16 -4.57 117.16 113.10 3h5t n TYR 30 Ca 0.08 0.15 0.07 0.00 -0.16 0.00 0.00 57.90 58.04 3h5t n TYR 30 Cb 0.47 -1.07 -0.10 0.00 -0.31 0.00 0.00 39.34 38.33 3h5t n TYR 30 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3h5t n ASN 31 N -3.63 1.45 -3.07 7.72 4.13 -0.03 -4.79 115.26 117.05 3h5t n ASN 31 Ca -0.41 -0.24 -0.18 0.00 1.68 0.00 0.00 54.58 55.43 3h5t n ASN 31 Cb 0.96 1.45 -0.02 0.00 -1.54 0.00 0.00 39.78 40.63 3h5t n ASN 31 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 3h5t n ARG 32 N -1.79 0.84 -0.34 3.52 1.74 0.28 -4.99 116.66 115.90 3h5t n ARG 32 Ca -0.01 -2.90 0.17 0.00 -0.77 0.00 0.00 57.85 54.34 3h5t n ARG 32 Cb 0.32 -1.39 0.39 0.00 -1.02 0.00 0.00 32.46 30.77 3h5t n ARG 32 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3h5t h PRO 33 N 3.57 0.58 0.00 5.56 0.11 -1.56 -0.93 132.00 139.34 3h5t h PRO 33 Ca 0.03 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3h5t h PRO 33 Cb 0.96 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.93 3h5t h PRO 33 CO 0.42 0.38 0.00 1.05 -0.21 0.00 0.00 178.00 179.64 3h5t h GLU 34 N 0.60 0.00 0.00 1.05 9.09 -1.94 -2.61 114.58 120.77 3h5t h GLU 34 Ca 0.62 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.03 3h5t h GLU 34 Cb 1.18 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.28 3h5t h GLU 34 CO -0.42 0.00 0.00 1.04 0.05 0.00 0.00 179.01 179.68 3h5t n GLN 35 N -2.73 0.37 -3.92 1.06 1.13 -0.35 -4.84 117.38 108.09 3h5t n GLN 35 Ca -0.02 0.07 -0.09 0.00 -1.94 0.00 0.00 57.00 55.02 3h5t n GLN 35 Cb 0.10 -1.50 -0.07 0.00 0.11 0.00 0.00 30.24 28.88 3h5t n GLN 35 CO 0.00 0.00 0.00 -0.48 -1.44 0.00 0.00 177.06 175.14 3h5t s LEU 36 N -2.49 1.09 0.72 1.08 0.05 -0.98 -5.11 118.68 113.04 3h5t s LEU 36 Ca 0.23 -0.79 -0.14 0.00 0.05 0.00 0.00 54.13 53.47 3h5t s LEU 36 Cb 0.15 1.15 0.03 0.00 -2.05 0.00 0.00 46.19 45.47 3h5t s LEU 36 CO 0.33 -0.84 1.15 -0.94 -0.55 0.00 0.00 176.35 175.49 3h5t s SER 37 N -2.93 4.52 0.56 1.48 1.04 -1.26 -4.85 113.70 112.26 3h5t s SER 37 Ca 0.13 2.13 0.28 0.00 0.48 0.00 0.00 55.95 58.97 3h5t s SER 37 Cb 0.04 -2.56 1.67 0.00 0.10 0.00 0.00 66.02 65.27 3h5t s SER 37 CO -0.04 -2.03 2.20 0.00 0.98 0.00 0.00 173.24 174.35 3h5t h ALA 38 N -0.37 1.51 0.05 5.32 0.00 -1.99 -2.07 119.26 121.70 3h5t h ALA 38 Ca -0.46 -0.03 -0.28 0.00 0.00 0.00 0.00 54.91 54.13 3h5t h ALA 38 Cb 1.26 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 19.07 3h5t h ALA 38 CO 0.51 0.04 -1.13 0.93 0.00 0.00 0.00 179.25 179.61 3h5t h GLU 39 N 0.00 0.67 -0.00 0.00 3.07 -2.00 -2.73 114.58 113.59 3h5t h GLU 39 Ca -0.00 -0.78 -0.17 0.00 -0.50 0.00 0.00 59.36 57.91 3h5t h GLU 39 Cb 0.09 0.24 -0.02 0.00 -0.84 0.00 0.00 28.75 28.22 3h5t h GLU 39 CO 0.00 1.35 -0.77 1.25 -1.40 0.00 0.00 179.01 179.44 3h5t h LEU 40 N 0.35 0.06 -0.25 1.33 5.85 -1.85 -2.08 115.31 118.72 3h5t h LEU 40 Ca -0.15 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.48 3h5t h LEU 40 Cb 1.79 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.79 3h5t h LEU 40 CO 0.22 0.81 -0.00 -0.09 -0.34 0.00 0.00 178.44 179.03 3h5t h ARG 41 N 0.03 0.44 -0.65 1.25 2.43 -1.45 -0.76 114.38 115.67 3h5t h ARG 41 Ca -0.01 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.00 3h5t h ARG 41 Cb 1.36 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.84 3h5t h ARG 41 CO 0.10 0.62 0.36 0.37 -1.51 0.00 0.00 179.97 179.91 3h5t h GLN 42 N 0.21 0.91 -0.71 0.20 5.75 -1.45 0.16 115.11 120.18 3h5t h GLN 42 Ca 0.07 -0.11 -0.01 0.00 -0.15 0.00 0.00 58.65 58.45 3h5t h GLN 42 Cb 0.42 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 28.76 3h5t h GLN 42 CO 0.01 0.68 0.40 -0.09 -2.65 0.00 0.00 178.83 177.19 3h5t h ARG 43 N 0.89 0.98 -0.48 1.69 2.43 -1.18 0.14 114.38 118.84 3h5t h ARG 43 Ca 0.23 -0.11 -0.06 0.00 -0.81 0.00 0.00 59.98 59.23 3h5t h ARG 43 Cb 0.04 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.37 3h5t h ARG 43 CO -0.04 0.72 0.05 0.82 -1.51 0.00 0.00 179.97 180.01 3h5t h ILE 44 N 0.97 1.25 -0.46 1.20 2.04 -0.75 -0.36 117.51 121.40 3h5t h ILE 44 Ca 0.25 -0.98 -0.06 0.00 1.00 0.00 0.00 64.86 65.07 3h5t h ILE 44 Cb 0.01 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 3h5t h ILE 44 CO -0.04 0.34 0.06 -0.07 0.00 0.00 0.00 178.15 178.44 3h5t h LEU 45 N 0.69 0.75 -0.50 1.44 3.38 -0.60 -1.47 115.31 119.00 3h5t h LEU 45 Ca 0.14 -0.27 -0.14 0.00 0.09 0.00 0.00 57.88 57.70 3h5t h LEU 45 Cb 0.44 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3h5t h LEU 45 CO 0.02 0.83 -0.31 0.44 0.09 0.00 0.00 178.44 179.51 3h5t h ASP 46 N 0.64 0.94 -0.25 -0.43 3.32 -0.64 -1.06 116.42 118.94 3h5t h ASP 46 Ca 0.14 -0.39 -0.03 0.00 0.02 0.00 0.00 57.03 56.77 3h5t h ASP 46 Cb 0.41 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 3h5t h ASP 46 CO 0.01 1.17 0.07 0.74 -1.72 0.00 0.00 179.24 179.51 3h5t h THR 47 N 0.76 1.16 -0.38 0.35 2.02 -0.97 0.49 112.91 116.33 3h5t h THR 47 Ca 0.08 -0.57 -0.13 0.00 0.77 0.00 0.00 66.41 66.56 3h5t h THR 47 Cb 0.88 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 3h5t h THR 47 CO 0.08 0.20 -0.27 0.00 0.37 0.00 0.00 175.52 175.90 3h5t h ALA 48 N 1.61 0.79 -0.15 6.16 0.00 -0.80 -2.73 119.26 124.15 3h5t h ALA 48 Ca 0.11 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 3h5t h ALA 48 Cb 0.20 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3h5t h ALA 48 CO -0.00 0.65 0.05 1.49 0.00 0.00 0.00 179.25 181.44 3h5t h GLU 49 N 0.69 0.23 -0.18 0.00 4.81 0.01 -0.56 114.58 119.58 3h5t h GLU 49 Ca 0.08 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.32 3h5t h GLU 49 Cb 0.81 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 3h5t h GLU 49 CO 0.07 0.34 0.22 -0.44 -0.73 0.00 0.00 179.01 178.47 3h5t h ASP 50 N 0.07 0.00 0.29 1.04 3.32 -0.85 0.13 116.42 120.42 3h5t h ASP 50 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3h5t h ASP 50 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 3h5t h ASP 50 CO -0.00 0.00 -0.31 0.80 -1.72 0.00 0.00 179.24 178.01 3h5t n MET 51 N -3.73 0.67 -1.00 3.56 1.56 -0.81 -4.93 117.12 112.44 3h5t n MET 51 Ca 0.02 -0.39 -0.00 0.00 -0.27 0.00 0.00 57.70 57.06 3h5t n MET 51 Cb 0.34 -1.49 -0.00 0.00 2.15 0.00 0.00 33.22 34.22 3h5t n MET 51 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3h5t n GLY 52 N 1.37 0.49 3.47 -5.12 0.00 0.45 -5.08 105.19 100.77 3h5t n GLY 52 Ca 0.11 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 3h5t n GLY 52 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3h5t s TYR 53 N -1.98 2.87 -0.30 1.61 5.04 -0.28 -5.01 117.35 119.29 3h5t s TYR 53 Ca 0.00 -1.03 -0.10 0.00 -2.44 0.00 0.00 57.07 53.50 3h5t s TYR 53 Cb 0.00 -4.37 0.18 0.00 0.35 0.00 0.00 41.96 38.11 3h5t s TYR 53 CO 0.00 -1.63 0.92 0.00 -1.34 0.00 0.00 175.55 173.49 3h5t s ALA 68 N 3.56 -3.02 0.00 3.97 0.00 -1.26 -4.19 121.76 120.82 3h5t s ALA 68 Ca 0.33 1.63 0.00 0.00 0.00 0.00 0.00 51.96 53.91 3h5t s ALA 68 Cb -0.07 -2.35 0.00 0.00 0.00 0.00 0.00 23.12 20.70 3h5t s ALA 68 CO -0.04 -1.36 0.00 0.41 0.00 0.00 0.00 175.76 174.77 3h5t n GLY 69 N 5.40 3.75 3.16 0.00 0.00 -1.26 -5.14 105.19 111.11 3h5t n GLY 69 Ca -0.06 -0.17 -0.12 0.00 0.00 0.00 0.00 46.02 45.67 3h5t n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h5t s ALA 70 N -1.02 -0.52 0.13 4.61 0.00 -1.26 -3.12 121.76 120.57 3h5t s ALA 70 Ca 0.00 0.13 0.10 0.00 0.00 0.00 0.00 51.96 52.19 3h5t s ALA 70 Cb 0.00 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 3h5t s ALA 70 CO 0.00 -0.22 -0.25 0.96 0.00 0.00 0.00 175.76 176.25 3h5t s ILE 71 N -1.18 2.15 0.43 0.00 -4.36 -0.27 -0.99 121.20 116.98 3h5t s ILE 71 Ca -0.13 -1.74 0.07 0.00 -0.26 0.00 0.00 60.65 58.59 3h5t s ILE 71 Cb -0.06 -1.91 -0.04 0.00 1.25 0.00 0.00 42.46 41.69 3h5t s ILE 71 CO 0.02 0.04 0.16 -0.83 0.24 0.00 0.00 174.94 174.57 3h5t s GLY 72 N -2.08 2.43 -0.12 6.27 0.00 -0.01 -0.58 107.32 113.23 3h5t s GLY 72 Ca 0.13 -1.91 -0.04 0.00 0.00 0.00 0.00 44.72 42.90 3h5t s GLY 72 CO 0.06 -1.97 0.08 0.14 0.00 0.00 0.00 173.10 171.41 3h5t s VAL 73 N -2.66 -0.06 -0.25 1.40 1.01 -0.12 -0.72 120.40 119.01 3h5t s VAL 73 Ca 0.36 0.03 -0.25 0.00 0.00 0.00 0.00 61.98 62.13 3h5t s VAL 73 Cb 0.04 -0.44 -0.00 0.00 0.00 0.00 0.00 36.38 35.97 3h5t s VAL 73 CO 0.20 -0.11 0.83 -0.22 0.00 0.00 0.00 175.10 175.80 3h5t s LEU 74 N 2.14 4.08 -0.21 3.92 0.20 -0.82 -0.68 118.68 127.31 3h5t s LEU 74 Ca 0.03 1.02 -0.02 0.00 0.69 0.00 0.00 54.13 55.85 3h5t s LEU 74 Cb -0.15 -3.19 0.01 0.00 -0.43 0.00 0.00 46.19 42.43 3h5t s LEU 74 CO -0.07 -0.53 -0.10 -0.22 -0.29 0.00 0.00 176.35 175.14 3h5t s LEU 75 N 2.86 2.65 -0.18 -0.68 2.96 0.14 -2.35 118.68 124.08 3h5t s LEU 75 Ca 0.35 -0.54 -0.01 0.00 -0.22 0.00 0.00 54.13 53.70 3h5t s LEU 75 Cb -0.15 -1.64 0.07 0.00 0.50 0.00 0.00 46.19 44.97 3h5t s LEU 75 CO 0.08 -0.03 2.25 1.07 -1.32 0.00 0.00 176.35 178.40 3h5t n THR 76 N 4.72 2.56 -4.17 3.68 5.66 -1.26 0.55 114.28 126.02 3h5t n THR 76 Ca -0.19 -1.33 -0.14 0.00 -3.05 0.00 0.00 64.05 59.33 3h5t n THR 76 Cb 0.50 -1.49 -0.07 0.00 -1.55 0.00 0.00 70.33 67.72 3h5t n THR 76 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 3h5t s GLU 77 N -0.83 1.58 0.43 1.09 0.41 -1.16 -4.24 118.70 115.97 3h5t s GLU 77 Ca 0.26 -1.72 -0.25 0.00 -0.41 0.00 0.00 54.97 52.85 3h5t s GLU 77 Cb 0.17 0.36 -0.08 0.00 -1.78 0.00 0.00 34.13 32.80 3h5t s GLU 77 CO -0.02 -0.60 1.25 -0.51 -0.49 0.00 0.00 175.26 174.89 3h5t s ASP 78 N -3.22 6.25 0.60 -0.19 1.01 -1.26 -4.08 116.67 115.77 3h5t s ASP 78 Ca 0.35 2.53 0.28 0.00 0.71 0.00 0.00 52.55 56.43 3h5t s ASP 78 Cb 0.03 -2.63 1.40 0.00 1.01 0.00 0.00 42.92 42.73 3h5t s ASP 78 CO 0.18 -0.88 1.80 0.25 0.21 0.00 0.00 175.17 176.73 3h5t h LEU 79 N 2.46 0.00 -1.15 1.23 5.85 -1.95 0.70 115.31 122.45 3h5t h LEU 79 Ca -0.49 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.16 3h5t h LEU 79 Cb 1.25 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 3h5t h LEU 79 CO 0.62 0.00 -0.09 0.71 -0.34 0.00 0.00 178.44 179.34 3h5t h THR 80 N 0.00 1.22 -0.94 1.05 1.35 -2.01 -2.98 112.91 110.60 3h5t h THR 80 Ca 0.23 -0.93 0.21 0.00 -0.55 0.00 0.00 66.41 65.37 3h5t h THR 80 Cb 1.37 1.09 -0.12 0.00 -1.73 0.00 0.00 68.15 68.76 3h5t h THR 80 CO -0.00 0.31 0.50 0.22 -0.25 0.00 0.00 175.52 176.29 3h5t h TYR 81 N 0.46 0.85 0.00 4.73 3.20 -1.21 0.27 116.97 125.27 3h5t h TYR 81 Ca 0.09 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.00 3h5t h TYR 81 Cb 0.44 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.48 3h5t h TYR 81 CO 0.01 0.06 0.00 0.00 -1.64 0.00 0.00 178.16 176.59 3h5t n ALA 82 N -2.40 1.28 -0.03 1.82 0.00 -1.12 -1.71 120.51 118.34 3h5t n ALA 82 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.67 3h5t n ALA 82 Cb 0.64 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.97 3h5t n ALA 82 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3h5t n PHE 83 N -1.59 0.00 0.05 0.00 3.72 0.79 -4.31 117.46 116.12 3h5t n PHE 83 Ca 0.01 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.44 3h5t n PHE 83 Cb 0.08 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.58 3h5t n PHE 83 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3h5t n GLU 84 N -0.65 1.44 -3.15 -1.08 1.02 -0.16 -4.86 120.64 113.20 3h5t n GLU 84 Ca 0.00 -0.03 -0.44 0.00 -0.02 0.00 0.00 57.16 56.66 3h5t n GLU 84 Cb 0.01 -1.02 -0.05 0.00 -0.02 0.00 0.00 31.44 30.35 3h5t n GLU 84 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3h5t s ASP 85 N -2.30 6.20 0.44 1.62 2.15 -0.70 -4.94 116.67 119.14 3h5t s ASP 85 Ca -0.01 -1.23 0.19 0.00 0.43 0.00 0.00 52.55 51.93 3h5t s ASP 85 Cb 0.03 -2.29 1.13 0.00 -0.30 0.00 0.00 42.92 41.49 3h5t s ASP 85 CO 0.20 -1.00 1.87 0.24 -0.17 0.00 0.00 175.17 176.32 3h5t h MET 86 N 9.08 0.34 -0.78 4.34 2.86 -1.89 -0.30 114.93 128.59 3h5t h MET 86 Ca -0.29 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.29 3h5t h MET 86 Cb 1.09 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.64 3h5t h MET 86 CO 1.04 0.23 0.32 0.00 1.06 0.00 0.00 176.91 179.55 3h5t h ALA 87 N 1.61 1.01 -0.08 6.32 0.00 -1.96 -1.36 119.26 124.81 3h5t h ALA 87 Ca 0.44 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 55.02 3h5t h ALA 87 Cb 1.17 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3h5t h ALA 87 CO -0.15 0.63 -0.57 0.77 0.00 0.00 0.00 179.25 179.93 3h5t h SER 88 N 1.12 0.30 0.60 0.00 0.02 -1.42 -1.89 113.55 112.28 3h5t h SER 88 Ca 0.26 -0.16 -0.09 0.00 -0.84 0.00 0.00 61.79 60.95 3h5t h SER 88 Cb 0.20 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 3h5t h SER 88 CO -0.02 0.81 -0.44 0.58 -1.14 0.00 0.00 176.83 176.61 3h5t h VAL 89 N 0.20 1.16 -0.00 2.27 2.07 -0.83 0.73 116.25 121.85 3h5t h VAL 89 Ca -0.00 -1.59 -0.22 0.00 0.82 0.00 0.00 66.70 65.71 3h5t h VAL 89 Cb 1.07 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 3h5t h VAL 89 CO 0.09 0.43 -0.93 0.44 0.02 0.00 0.00 177.57 177.62 3h5t h ASP 90 N 0.00 0.49 0.43 0.57 3.45 -1.01 -2.03 116.42 118.32 3h5t h ASP 90 Ca -0.00 -0.39 -0.02 0.00 0.43 0.00 0.00 57.03 57.04 3h5t h ASP 90 Cb 0.86 -0.15 0.00 0.00 -0.56 0.00 0.00 39.33 39.48 3h5t h ASP 90 CO 0.06 1.19 -0.21 0.15 -1.57 0.00 0.00 179.24 178.86 3h5t h PHE 91 N 0.21 -0.53 -0.27 4.55 3.57 -0.87 -2.81 116.94 120.78 3h5t h PHE 91 Ca -0.07 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.47 3h5t h PHE 91 Cb 1.56 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 40.47 3h5t h PHE 91 CO 0.05 -0.26 0.19 -0.07 -2.23 0.00 0.00 178.31 176.00 3h5t h LEU 92 N -0.73 0.10 -0.92 0.59 3.38 -0.89 0.23 115.31 117.06 3h5t h LEU 92 Ca -0.06 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 3h5t h LEU 92 Cb 0.52 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 3h5t h LEU 92 CO 0.10 0.07 0.42 0.00 0.09 0.00 0.00 178.44 179.11 3h5t h ALA 93 N 1.86 1.16 -0.57 1.53 0.00 -1.21 0.31 119.26 122.35 3h5t h ALA 93 Ca 0.12 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3h5t h ALA 93 Cb 0.34 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3h5t h ALA 93 CO -0.01 0.65 0.20 0.78 0.00 0.00 0.00 179.25 180.87 3h5t h GLY 94 N 1.20 0.93 2.00 0.00 0.00 -0.33 -0.31 103.07 106.56 3h5t h GLY 94 Ca 0.29 -0.53 -0.09 0.00 0.00 0.00 0.00 47.33 47.01 3h5t h GLY 94 CO -0.04 0.49 -0.42 -2.08 0.00 0.00 0.00 176.54 174.50 3h5t h VAL 95 N 0.78 1.08 -0.03 4.60 2.07 -0.65 -2.59 116.25 121.51 3h5t h VAL 95 Ca 0.19 -1.54 -0.14 0.00 0.82 0.00 0.00 66.70 66.02 3h5t h VAL 95 Cb 0.24 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 3h5t h VAL 95 CO -0.01 0.41 -0.64 0.00 0.02 0.00 0.00 177.57 177.35 3h5t h ALA 96 N 1.58 0.87 -0.04 1.67 0.00 0.27 -2.27 119.26 121.34 3h5t h ALA 96 Ca -0.00 -0.57 -0.17 0.00 0.00 0.00 0.00 54.91 54.16 3h5t h ALA 96 Cb 0.85 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3h5t h ALA 96 CO 0.05 0.77 -0.74 0.37 0.00 0.00 0.00 179.25 179.70 3h5t h GLN 97 N 0.09 0.26 0.19 0.00 4.15 -0.72 -3.29 115.11 115.81 3h5t h GLN 97 Ca -0.01 -0.23 -0.01 0.00 0.77 0.00 0.00 58.65 59.17 3h5t h GLN 97 Cb 1.14 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.88 3h5t h GLN 97 CO 0.09 0.89 -0.09 0.00 -1.93 0.00 0.00 178.83 177.79 3h5t h ALA 98 N 1.04 -0.26 -2.27 3.38 0.00 -1.43 -3.40 119.26 116.33 3h5t h ALA 98 Ca -0.03 -0.21 -0.55 0.00 0.00 0.00 0.00 54.91 54.12 3h5t h ALA 98 Cb 1.31 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 3h5t h ALA 98 CO 0.12 -0.33 0.90 0.00 0.00 0.00 0.00 179.25 179.93 3h5t s ALA 99 N -3.79 3.61 0.00 0.00 0.00 -0.86 -4.88 121.76 115.84 3h5t s ALA 99 Ca -0.12 0.74 0.00 0.00 0.00 0.00 0.00 51.96 52.57 3h5t s ALA 99 Cb 0.01 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.50 3h5t s ALA 99 CO 0.46 -1.09 0.00 0.41 0.00 0.00 0.00 175.76 175.53 3h5t n GLY 100 N 3.72 0.64 1.67 0.00 0.00 -1.26 -4.64 105.19 105.33 3h5t n GLY 100 Ca 0.14 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.22 3h5t n GLY 100 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3h5t n ASP 101 N -0.65 4.98 -4.71 1.61 8.00 -1.26 -4.92 116.55 119.60 3h5t n ASP 101 Ca 0.00 -2.78 -0.39 0.00 0.71 0.00 0.00 54.79 52.33 3h5t n ASP 101 Cb 0.00 -0.66 -0.05 0.00 -0.02 0.00 0.00 41.12 40.39 3h5t n ASP 101 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3h5t s THR 102 N -2.48 5.06 0.33 -3.53 2.01 -1.26 -4.91 115.64 110.87 3h5t s THR 102 Ca 0.46 1.33 -0.29 0.00 0.31 0.00 0.00 61.69 63.50 3h5t s THR 102 Cb 0.35 -3.99 -0.11 0.00 0.01 0.00 0.00 72.50 68.76 3h5t s THR 102 CO 0.13 0.24 1.43 -1.10 -0.69 0.00 0.00 174.62 174.64 3h5t s GLN 103 N 0.93 4.22 -0.24 4.92 -0.21 -1.18 -4.85 119.66 123.25 3h5t s GLN 103 Ca 0.34 2.40 -0.02 0.00 0.02 0.00 0.00 55.36 58.11 3h5t s GLN 103 Cb -0.17 -3.04 0.02 0.00 1.00 0.00 0.00 33.01 30.82 3h5t s GLN 103 CO 0.16 -0.41 -0.06 -1.17 -2.12 0.00 0.00 175.29 171.69 3h5t s LEU 104 N -1.47 3.12 -0.32 2.90 2.96 -1.26 -1.11 118.68 123.51 3h5t s LEU 104 Ca 0.54 -0.76 -0.08 0.00 -0.22 0.00 0.00 54.13 53.61 3h5t s LEU 104 Cb -0.44 -1.68 0.02 0.00 0.50 0.00 0.00 46.19 44.59 3h5t s LEU 104 CO 0.54 -0.11 0.13 -0.89 -1.32 0.00 0.00 176.35 174.70 3h5t s THR 105 N 1.36 4.18 -0.07 3.68 2.01 0.26 -5.00 115.64 122.06 3h5t s THR 105 Ca 0.02 -0.76 -0.28 0.00 0.31 0.00 0.00 61.69 60.98 3h5t s THR 105 Cb -0.16 -3.23 -0.02 0.00 0.01 0.00 0.00 72.50 69.10 3h5t s THR 105 CO -0.04 -0.04 0.92 -0.76 -0.69 0.00 0.00 174.62 174.01 3h5t s LEU 106 N 1.51 4.29 -0.33 4.42 1.43 -1.26 -0.94 118.68 127.80 3h5t s LEU 106 Ca 0.02 1.46 -0.04 0.00 -1.03 0.00 0.00 54.13 54.54 3h5t s LEU 106 Cb -0.18 -3.43 0.05 0.00 0.03 0.00 0.00 46.19 42.67 3h5t s LEU 106 CO 0.04 -0.32 0.07 -0.63 0.23 0.00 0.00 176.35 175.74 3h5t s ILE 107 N 1.48 3.38 -0.48 -0.59 1.01 0.15 -4.92 121.20 121.23 3h5t s ILE 107 Ca 0.46 -1.34 -0.29 0.00 0.00 0.00 0.00 60.65 59.48 3h5t s ILE 107 Cb -0.19 -2.97 0.02 0.00 0.01 0.00 0.00 42.46 39.34 3h5t s ILE 107 CO 0.20 -0.20 1.26 -2.84 0.00 0.00 0.00 174.94 173.36 3h5t s PRO 108 N 1.31 3.61 -0.15 2.79 0.02 -1.26 -0.68 135.00 140.63 3h5t s PRO 108 Ca -0.02 0.64 -0.03 0.00 0.02 0.00 0.00 61.00 61.60 3h5t s PRO 108 Cb -0.20 -3.98 -0.03 0.00 0.02 0.00 0.00 34.50 30.31 3h5t s PRO 108 CO 0.00 -1.53 -0.04 0.00 -0.33 0.00 0.00 177.00 175.10 3h5t s ALA 109 N 4.99 2.99 0.21 -1.55 0.00 0.19 -4.97 121.76 123.62 3h5t s ALA 109 Ca 0.52 -0.82 -0.30 0.00 0.00 0.00 0.00 51.96 51.36 3h5t s ALA 109 Cb -0.09 -1.54 -0.09 0.00 0.00 0.00 0.00 23.12 21.40 3h5t s ALA 109 CO 0.31 0.23 1.29 0.45 0.00 0.00 0.00 175.76 178.04 3h5t s SER 110 N 0.33 6.92 0.00 0.00 0.15 -1.26 -3.00 113.70 116.84 3h5t s SER 110 Ca -0.04 2.40 0.22 0.00 0.70 0.00 0.00 55.95 59.23 3h5t s SER 110 Cb -0.14 -2.61 0.71 0.00 -1.71 0.00 0.00 66.02 62.27 3h5t s SER 110 CO 0.03 -0.50 1.54 -0.81 1.20 0.00 0.00 173.24 174.69 3h5t n PRO 111 N 2.44 1.87 -1.89 5.44 -0.04 -1.26 -4.94 135.00 136.62 3h5t n PRO 111 Ca 0.05 -1.30 -0.39 0.00 -0.04 0.00 0.00 63.50 61.82 3h5t n PRO 111 Cb 0.43 -1.43 0.02 0.00 -0.04 0.00 0.00 33.50 32.48 3h5t n PRO 111 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h5t s ALA 112 N -1.78 3.04 -1.14 0.55 0.00 -1.26 -4.70 121.76 116.46 3h5t s ALA 112 Ca 0.34 1.31 0.15 0.00 0.00 0.00 0.00 51.96 53.76 3h5t s ALA 112 Cb 0.19 -3.54 0.68 0.00 0.00 0.00 0.00 23.12 20.44 3h5t s ALA 112 CO 0.28 -1.14 1.46 -1.13 0.00 0.00 0.00 175.76 175.23 3h5t n SER 113 N -0.51 0.00 0.03 0.00 3.41 -1.25 -2.52 113.62 112.78 3h5t n SER 113 Ca 0.07 0.36 0.13 0.00 -0.26 0.00 0.00 58.87 59.17 3h5t n SER 113 Cb 0.44 -0.43 0.43 0.00 -0.26 0.00 0.00 64.21 64.39 3h5t n SER 113 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3h5t n SER 114 N -1.43 0.37 -4.71 4.04 3.41 -1.26 -4.86 113.62 109.18 3h5t n SER 114 Ca 0.05 0.28 -0.42 0.00 -0.26 0.00 0.00 58.87 58.52 3h5t n SER 114 Cb 0.16 -0.28 -0.03 0.00 -0.26 0.00 0.00 64.21 63.79 3h5t n SER 114 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3h5t s VAL 115 N -3.04 3.43 0.44 -3.33 1.01 -1.05 -5.02 120.40 112.84 3h5t s VAL 115 Ca 0.12 0.98 0.06 0.00 0.00 0.00 0.00 61.98 63.14 3h5t s VAL 115 Cb 0.17 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 3h5t s VAL 115 CO 0.61 0.06 0.17 1.51 0.00 0.00 0.00 175.10 177.45 3h5t s ASP 116 N 1.33 4.36 0.41 3.32 1.47 -1.26 -4.94 116.67 121.35 3h5t s ASP 116 Ca 0.64 -1.21 0.10 0.00 1.18 0.00 0.00 52.55 53.27 3h5t s ASP 116 Cb -0.35 -0.22 0.91 0.00 -0.34 0.00 0.00 42.92 42.92 3h5t s ASP 116 CO 0.29 -0.65 1.99 0.45 0.68 0.00 0.00 175.17 177.94 3h5t h HIS 117 N 1.36 0.54 -0.25 2.11 3.86 -1.95 -1.85 115.15 118.97 3h5t h HIS 117 Ca -0.42 0.01 -0.11 0.00 -1.16 0.00 0.00 60.37 58.70 3h5t h HIS 117 Cb 1.27 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 29.54 3h5t h HIS 117 CO 0.80 0.29 -0.29 -0.24 0.86 0.00 0.00 177.93 179.35 3h5t h VAL 118 N 0.54 1.28 -0.09 2.45 3.04 -1.98 0.66 116.25 122.14 3h5t h VAL 118 Ca 0.26 -1.35 -0.03 0.00 -1.01 0.00 0.00 66.70 64.56 3h5t h VAL 118 Cb 0.32 1.41 -0.00 0.00 -2.01 0.00 0.00 31.29 31.00 3h5t h VAL 118 CO -0.07 0.43 -0.07 0.28 -1.01 0.00 0.00 177.57 177.12 3h5t h SER 119 N 0.43 0.22 -0.77 3.17 0.02 -1.77 -2.59 113.55 112.27 3h5t h SER 119 Ca 0.06 -0.46 -0.04 0.00 -0.84 0.00 0.00 61.79 60.51 3h5t h SER 119 Cb 0.73 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.18 3h5t h SER 119 CO 0.06 0.63 0.32 0.00 -1.14 0.00 0.00 176.83 176.70 3h5t h ALA 120 N 0.60 1.00 0.00 3.77 0.00 -1.25 -2.55 119.26 120.82 3h5t h ALA 120 Ca 0.02 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 3h5t h ALA 120 Cb 0.56 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3h5t h ALA 120 CO 0.02 0.61 -0.39 1.96 0.00 0.00 0.00 179.25 181.45 3h5t h GLN 121 N 1.11 0.00 0.02 0.00 4.20 -0.89 -1.21 115.11 118.35 3h5t h GLN 121 Ca 0.26 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.73 3h5t h GLN 121 Cb 0.20 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.98 3h5t h GLN 121 CO -0.02 0.39 -1.01 1.96 -0.67 0.00 0.00 178.83 179.48 3h5t h GLN 122 N 0.00 0.43 0.33 1.46 4.20 -1.25 -0.41 115.11 119.87 3h5t h GLN 122 Ca -0.00 -0.50 -0.02 0.00 0.06 0.00 0.00 58.65 58.19 3h5t h GLN 122 Cb 0.77 0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.70 3h5t h GLN 122 CO 0.05 1.16 -0.16 1.25 -0.67 0.00 0.00 178.83 180.46 3h5t h LEU 123 N 0.23 -0.37 -0.67 1.46 5.85 -1.21 -2.80 115.31 117.80 3h5t h LEU 123 Ca -0.10 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.49 3h5t h LEU 123 Cb 1.66 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.75 3h5t h LEU 123 CO 0.18 -0.11 0.31 0.58 -0.34 0.00 0.00 178.44 179.05 3h5t h VAL 124 N -0.63 1.23 0.00 1.05 2.07 -1.26 -2.50 116.25 116.20 3h5t h VAL 124 Ca -0.05 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.81 3h5t h VAL 124 Cb 0.45 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 3h5t h VAL 124 CO 0.07 0.27 0.00 0.59 0.02 0.00 0.00 177.57 178.52 3h5t n ASN 125 N -4.45 0.00 -1.16 0.57 3.02 -0.16 -2.39 115.26 110.69 3h5t n ASN 125 Ca 0.05 0.49 0.08 0.00 -0.03 0.00 0.00 54.58 55.17 3h5t n ASN 125 Cb 0.14 -0.50 0.28 0.00 -0.61 0.00 0.00 39.78 39.09 3h5t n ASN 125 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3h5t n ASN 126 N -1.50 4.15 -4.54 6.41 3.02 -0.95 -4.88 115.26 116.98 3h5t n ASN 126 Ca 0.05 -2.62 -0.42 0.00 -0.03 0.00 0.00 54.58 51.56 3h5t n ASN 126 Cb 0.22 -0.50 -0.08 0.00 -0.61 0.00 0.00 39.78 38.81 3h5t n ASN 126 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h5t s ALA 127 N -2.13 3.45 -1.48 5.41 0.00 -1.01 -4.97 121.76 121.04 3h5t s ALA 127 Ca 0.42 -1.08 -0.11 0.00 0.00 0.00 0.00 51.96 51.19 3h5t s ALA 127 Cb 0.30 -3.08 -0.05 0.00 0.00 0.00 0.00 23.12 20.28 3h5t s ALA 127 CO 0.16 -1.36 2.63 0.00 0.00 0.00 0.00 175.76 177.19 3h5t n ALA 128 N 5.84 6.54 -2.49 0.00 0.00 -1.26 -4.89 120.51 124.26 3h5t n ALA 128 Ca -0.04 -3.48 -0.17 0.00 0.00 0.00 0.00 53.44 49.76 3h5t n ALA 128 Cb 0.49 -3.40 -0.11 0.00 0.00 0.00 0.00 19.45 16.42 3h5t n ALA 128 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3h5t s VAL 129 N 2.71 1.19 -0.82 0.00 -7.23 -1.26 -4.76 120.40 110.22 3h5t s VAL 129 Ca 0.60 -1.70 0.25 0.00 -1.81 0.00 0.00 61.98 59.32 3h5t s VAL 129 Cb 0.16 -1.48 0.02 0.00 0.56 0.00 0.00 36.38 35.64 3h5t s VAL 129 CO -0.06 -0.48 1.36 0.47 -0.31 0.00 0.00 175.10 176.08 3h5t n ASP 130 N 0.52 0.57 -3.61 4.85 8.00 -0.16 -4.96 116.55 121.76 3h5t n ASP 130 Ca -0.15 -0.08 -0.07 0.00 0.71 0.00 0.00 54.79 55.20 3h5t n ASP 130 Cb 0.57 0.24 -0.02 0.00 -0.02 0.00 0.00 41.12 41.90 3h5t n ASP 130 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3h5t s GLY 131 N -3.32 -0.37 -0.01 0.44 0.00 -1.26 -4.41 107.32 98.39 3h5t s GLY 131 Ca 0.09 0.52 -0.00 0.00 0.00 0.00 0.00 44.72 45.32 3h5t s GLY 131 CO 0.71 0.16 0.02 0.54 0.00 0.00 0.00 173.10 174.53 3h5t s VAL 132 N -3.33 -0.03 -0.38 1.40 0.11 -0.57 -0.83 120.40 116.78 3h5t s VAL 132 Ca 0.08 0.11 -0.16 0.00 -2.93 0.00 0.00 61.98 59.08 3h5t s VAL 132 Cb -0.02 -0.05 0.00 0.00 -1.53 0.00 0.00 36.38 34.79 3h5t s VAL 132 CO -0.04 0.04 0.36 -0.69 -3.33 0.00 0.00 175.10 171.44 3h5t s VAL 133 N 0.54 5.17 -0.25 2.04 1.01 0.10 -2.26 120.40 126.75 3h5t s VAL 133 Ca -0.04 -0.23 -0.25 0.00 0.00 0.00 0.00 61.98 61.46 3h5t s VAL 133 Cb -0.06 -3.90 -0.00 0.00 0.00 0.00 0.00 36.38 32.42 3h5t s VAL 133 CO -0.01 -0.22 0.83 -0.63 0.00 0.00 0.00 175.10 175.06 3h5t s ILE 134 N 1.96 4.83 -0.34 2.22 1.01 0.11 -1.94 121.20 129.05 3h5t s ILE 134 Ca 0.10 1.55 -0.07 0.00 0.00 0.00 0.00 60.65 62.22 3h5t s ILE 134 Cb -0.17 -4.12 0.04 0.00 0.01 0.00 0.00 42.46 38.21 3h5t s ILE 134 CO 0.12 -0.09 0.12 -0.47 0.00 0.00 0.00 174.94 174.61 3h5t s TYR 135 N 2.87 3.25 -1.02 3.97 5.04 -0.99 -0.61 117.35 129.85 3h5t s TYR 135 Ca 0.35 -1.32 -0.15 0.00 -2.44 0.00 0.00 57.07 53.51 3h5t s TYR 135 Cb -0.15 -2.30 0.00 0.00 0.35 0.00 0.00 41.96 39.86 3h5t s TYR 135 CO 0.08 -0.71 0.72 0.45 -1.34 0.00 0.00 175.55 174.75 3h5t n SER 136 N 4.84 -5.46 -4.64 4.32 2.88 -0.55 -4.44 113.62 110.58 3h5t n SER 136 Ca -0.12 -0.90 -0.31 0.00 -1.33 0.00 0.00 58.87 56.20 3h5t n SER 136 Cb 0.45 -3.06 -0.09 0.00 -0.75 0.00 0.00 64.21 60.76 3h5t n SER 136 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3h5t s VAL 137 N -3.29 3.81 0.66 2.46 1.01 -0.74 -4.72 120.40 119.59 3h5t s VAL 137 Ca 0.30 -0.88 -0.17 0.00 0.00 0.00 0.00 61.98 61.23 3h5t s VAL 137 Cb -0.12 -2.73 0.00 0.00 0.00 0.00 0.00 36.38 33.53 3h5t s VAL 137 CO 0.87 0.26 1.23 0.00 0.00 0.00 0.00 175.10 177.47 3h5t s ALA 138 N -1.14 2.33 0.32 5.51 0.00 -1.26 -2.44 121.76 125.07 3h5t s ALA 138 Ca 0.21 1.02 -0.28 0.00 0.00 0.00 0.00 51.96 52.91 3h5t s ALA 138 Cb -0.11 -3.49 -0.10 0.00 0.00 0.00 0.00 23.12 19.42 3h5t s ALA 138 CO 0.12 -1.58 1.17 0.21 0.00 0.00 0.00 175.76 175.69 3h5t s LYS 139 N -3.57 4.45 0.00 0.00 2.47 -0.57 -2.50 119.74 120.01 3h5t s LYS 139 Ca 0.78 1.93 0.00 0.00 -1.56 0.00 0.00 55.97 57.12 3h5t s LYS 139 Cb -0.32 -3.06 0.00 0.00 -1.46 0.00 0.00 37.83 32.99 3h5t s LYS 139 CO 0.40 -0.00 0.00 0.41 0.16 0.00 0.00 175.35 176.32 3h5t n GLY 140 N 0.96 0.51 3.70 5.54 0.00 -1.26 -4.86 105.19 109.78 3h5t n GLY 140 Ca 0.00 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 3h5t n GLY 140 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3h5t s ASP 141 N -2.15 6.95 0.60 1.61 2.15 -1.04 -4.91 116.67 119.88 3h5t s ASP 141 Ca 0.00 2.09 0.38 0.00 0.43 0.00 0.00 52.55 55.45 3h5t s ASP 141 Cb 0.00 -2.57 2.07 0.00 -0.30 0.00 0.00 42.92 42.12 3h5t s ASP 141 CO 0.00 -0.60 2.16 1.55 -0.17 0.00 0.00 175.17 178.12 3h5t h PRO 142 N 7.18 0.00 -0.09 4.34 0.13 -1.92 -1.12 132.00 140.52 3h5t h PRO 142 Ca -0.40 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.59 3h5t h PRO 142 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 3h5t h PRO 142 CO 0.86 0.00 -0.55 0.45 -0.23 0.00 0.00 178.00 178.52 3h5t h HIS 143 N 0.00 0.35 -0.13 1.56 3.86 -1.90 -1.09 115.15 117.80 3h5t h HIS 143 Ca 0.00 -0.12 -0.00 0.00 -1.16 0.00 0.00 60.37 59.08 3h5t h HIS 143 Cb 0.10 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.50 3h5t h HIS 143 CO 0.00 0.77 0.08 0.82 0.86 0.00 0.00 177.93 180.46 3h5t h ILE 144 N 0.22 1.06 -0.59 2.45 1.08 -1.58 -0.39 117.51 119.75 3h5t h ILE 144 Ca 0.00 -0.14 -0.05 0.00 -0.39 0.00 0.00 64.86 64.29 3h5t h ILE 144 Cb 1.04 0.92 -0.03 0.00 -3.07 0.00 0.00 36.82 35.68 3h5t h ILE 144 CO 0.09 0.05 0.17 0.44 -0.69 0.00 0.00 178.15 178.21 3h5t h ASP 145 N 0.15 0.84 -0.77 1.72 3.32 -1.54 -1.86 116.42 118.28 3h5t h ASP 145 Ca 0.05 -0.15 -0.04 0.00 0.02 0.00 0.00 57.03 56.91 3h5t h ASP 145 Cb 0.02 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.31 3h5t h ASP 145 CO -0.01 0.80 0.31 0.00 -1.72 0.00 0.00 179.24 178.63 3h5t h ALA 146 N 1.31 1.00 -0.41 3.45 0.00 -0.77 -0.24 119.26 123.60 3h5t h ALA 146 Ca 0.19 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3h5t h ALA 146 Cb 0.28 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3h5t h ALA 146 CO -0.01 0.62 -0.11 0.82 0.00 0.00 0.00 179.25 180.58 3h5t h ILE 147 N 1.11 1.25 -0.43 0.00 2.04 -0.63 -2.44 117.51 118.41 3h5t h ILE 147 Ca 0.26 -1.14 -0.15 0.00 1.00 0.00 0.00 64.86 64.83 3h5t h ILE 147 Cb 0.21 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 3h5t h ILE 147 CO -0.02 0.39 -0.30 -0.09 0.00 0.00 0.00 178.15 178.13 3h5t h ARG 148 N 0.66 0.97 0.00 2.37 2.43 -0.94 -2.23 114.38 117.63 3h5t h ARG 148 Ca 0.11 -0.46 -0.04 0.00 -0.81 0.00 0.00 59.98 58.79 3h5t h ARG 148 Cb 0.57 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 3h5t h ARG 148 CO 0.04 1.13 -0.18 0.00 -1.51 0.00 0.00 179.97 179.45 3h5t h ALA 149 N 0.82 1.24 0.00 2.80 0.00 -0.87 -1.45 119.26 121.80 3h5t h ALA 149 Ca 0.08 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3h5t h ALA 149 Cb 0.89 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3h5t h ALA 149 CO 0.08 0.22 -0.59 -2.13 0.00 0.00 0.00 179.25 176.83 3h5t n ARG 150 N -3.65 0.12 -2.77 0.00 0.63 -0.94 -4.95 116.66 105.10 3h5t n ARG 150 Ca -0.01 0.02 -0.15 0.00 -0.92 0.00 0.00 57.85 56.79 3h5t n ARG 150 Cb 0.30 -1.56 0.02 0.00 0.45 0.00 0.00 32.46 31.67 3h5t n ARG 150 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3h5t n GLY 151 N 1.44 -0.14 3.66 5.14 0.00 -0.55 -4.97 105.19 109.77 3h5t n GLY 151 Ca 0.04 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 3h5t n GLY 151 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h5t s LEU 152 N -4.73 4.15 0.10 0.99 2.96 -0.94 -4.99 118.68 116.23 3h5t s LEU 152 Ca 0.20 1.16 -0.35 0.00 -0.22 0.00 0.00 54.13 54.92 3h5t s LEU 152 Cb -0.09 -3.24 -0.14 0.00 0.50 0.00 0.00 46.19 43.21 3h5t s LEU 152 CO 0.25 -0.44 1.55 -2.65 -1.32 0.00 0.00 176.35 173.74 3h5t n PRO 153 N 5.46 1.85 -3.87 0.98 -0.02 -1.26 -4.82 135.00 133.32 3h5t n PRO 153 Ca 0.05 0.67 -0.11 0.00 -2.02 0.00 0.00 63.50 62.09 3h5t n PRO 153 Cb 0.48 -2.41 -0.11 0.00 -0.02 0.00 0.00 33.50 31.44 3h5t n PRO 153 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h5t s ALA 154 N 1.20 -0.29 0.02 3.55 0.00 -1.26 -1.50 121.76 123.47 3h5t s ALA 154 Ca 0.82 -0.00 0.08 0.00 0.00 0.00 0.00 51.96 52.86 3h5t s ALA 154 Cb -0.77 -0.00 -0.02 0.00 0.00 0.00 0.00 23.12 22.33 3h5t s ALA 154 CO 0.43 -0.16 -0.23 0.54 0.00 0.00 0.00 175.76 176.34 3h5t s VAL 155 N -0.90 1.82 -0.09 0.00 0.11 -0.96 -3.78 120.40 116.59 3h5t s VAL 155 Ca -0.10 -1.14 -0.00 0.00 -2.93 0.00 0.00 61.98 57.81 3h5t s VAL 155 Cb -0.06 -1.54 -0.03 0.00 -1.53 0.00 0.00 36.38 33.22 3h5t s VAL 155 CO 0.01 0.36 -0.07 -0.63 -3.33 0.00 0.00 175.10 171.44 3h5t s ILE 156 N -0.69 3.70 -0.07 7.04 1.01 0.11 0.07 121.20 132.37 3h5t s ILE 156 Ca 0.09 -0.47 0.05 0.00 0.00 0.00 0.00 60.65 60.32 3h5t s ILE 156 Cb -0.09 -2.53 -0.01 0.00 0.01 0.00 0.00 42.46 39.84 3h5t s ILE 156 CO 0.01 0.57 -0.23 0.00 0.00 0.00 0.00 174.94 175.29 3h5t s ALA 157 N -0.51 2.22 0.00 9.38 0.00 0.22 -1.25 121.76 131.82 3h5t s ALA 157 Ca 0.08 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.02 3h5t s ALA 157 Cb -0.12 -0.76 0.00 0.00 0.00 0.00 0.00 23.12 22.24 3h5t s ALA 157 CO 0.02 0.38 0.00 -0.25 0.00 0.00 0.00 175.76 175.91 3h5t n ASP 158 N 3.10 0.00 -3.58 0.00 10.43 -0.35 -1.49 116.55 124.66 3h5t n ASP 158 Ca -0.18 0.00 -0.06 0.00 2.57 0.00 0.00 54.79 57.12 3h5t n ASP 158 Cb 0.52 0.00 -0.03 0.00 1.84 0.00 0.00 41.12 43.45 3h5t n ASP 158 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3h5t s GLN 159 N 0.00 0.43 0.25 -1.24 -2.07 -1.26 -4.74 119.66 111.03 3h5t s GLN 159 Ca 0.00 -0.09 -0.22 0.00 -1.82 0.00 0.00 55.36 53.23 3h5t s GLN 159 Cb 0.00 0.20 -0.09 0.00 -1.09 0.00 0.00 33.01 32.03 3h5t s GLN 159 CO 0.00 -0.18 0.80 -1.25 -1.32 0.00 0.00 175.29 173.34 3h5t s PRO 160 N -2.17 4.38 0.57 9.60 0.04 -1.02 -1.79 135.00 144.60 3h5t s PRO 160 Ca 0.06 1.04 -0.08 0.00 0.04 0.00 0.00 61.00 62.06 3h5t s PRO 160 Cb -0.01 -2.89 -0.02 0.00 0.04 0.00 0.00 34.50 31.62 3h5t s PRO 160 CO -0.05 0.37 0.91 0.00 0.04 0.00 0.00 177.00 178.28 3h5t s ALA 161 N -1.52 3.24 -1.30 8.56 0.00 -1.26 -4.45 121.76 125.04 3h5t s ALA 161 Ca 0.45 -0.40 -0.05 0.00 0.00 0.00 0.00 51.96 51.95 3h5t s ALA 161 Cb -0.18 -2.78 0.01 0.00 0.00 0.00 0.00 23.12 20.17 3h5t s ALA 161 CO 0.22 -0.61 1.10 0.54 0.00 0.00 0.00 175.76 177.01 3h5t n ARG 162 N -2.54 -7.38 -3.86 0.00 1.74 -1.26 -5.01 116.66 98.35 3h5t n ARG 162 Ca 0.04 0.83 -0.35 0.00 -0.77 0.00 0.00 57.85 57.59 3h5t n ARG 162 Cb 0.55 -5.87 -0.08 0.00 -1.02 0.00 0.00 32.46 26.05 3h5t n ARG 162 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3h5t s GLU 163 N -5.94 3.93 0.26 5.56 0.41 -1.26 -5.06 118.70 116.60 3h5t s GLU 163 Ca 0.35 -0.24 -0.30 0.00 -0.41 0.00 0.00 54.97 54.37 3h5t s GLU 163 Cb -0.16 -3.29 -0.09 0.00 -1.78 0.00 0.00 34.13 28.81 3h5t s GLU 163 CO 0.73 0.40 1.28 -2.00 -0.49 0.00 0.00 175.26 175.19 3h5t s GLU 164 N 0.04 4.41 -0.25 1.61 2.12 -1.26 -3.08 118.70 122.29 3h5t s GLU 164 Ca 0.08 2.08 0.00 0.00 0.36 0.00 0.00 54.97 57.49 3h5t s GLU 164 Cb -0.12 -3.15 0.00 0.00 0.26 0.00 0.00 34.13 31.13 3h5t s GLU 164 CO -0.00 -0.16 0.00 0.41 -0.54 0.00 0.00 175.26 174.97 3h5t n GLY 165 N 1.64 0.50 2.75 -1.50 0.00 -1.26 -4.98 105.19 102.33 3h5t n GLY 165 Ca 0.03 -0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 3h5t n GLY 165 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3h5t s MET 166 N -1.36 1.17 0.27 1.61 -1.94 -1.18 -4.70 119.30 113.17 3h5t s MET 166 Ca 0.00 -1.77 -0.27 0.00 -1.71 0.00 0.00 55.69 51.95 3h5t s MET 166 Cb 0.00 -2.35 -0.16 0.00 2.01 0.00 0.00 34.83 34.33 3h5t s MET 166 CO 0.00 -1.09 0.56 -2.30 -0.01 0.00 0.00 175.02 172.18 3h5t n PRO 167 N 3.94 0.32 -5.08 2.03 -0.02 -1.25 -4.47 135.00 130.47 3h5t n PRO 167 Ca 0.05 0.11 -0.30 0.00 -2.02 0.00 0.00 63.50 61.34 3h5t n PRO 167 Cb 0.37 -1.22 -0.17 0.00 -0.02 0.00 0.00 33.50 32.46 3h5t n PRO 167 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3h5t s PHE 168 N -1.14 2.29 -0.15 6.00 5.36 0.49 0.09 117.98 130.91 3h5t s PHE 168 Ca 0.62 -0.88 0.00 0.00 -0.96 0.00 0.00 56.93 55.72 3h5t s PHE 168 Cb -0.81 -1.54 0.03 0.00 -0.34 0.00 0.00 43.02 40.35 3h5t s PHE 168 CO 0.58 -0.35 -0.12 0.42 -1.46 0.00 0.00 175.22 174.29 3h5t s ILE 169 N 0.32 1.42 -0.16 3.12 1.01 -0.38 -0.98 121.20 125.55 3h5t s ILE 169 Ca -0.15 -0.59 -0.34 0.00 0.00 0.00 0.00 60.65 59.57 3h5t s ILE 169 Cb -0.17 -1.38 0.13 0.00 0.01 0.00 0.00 42.46 41.05 3h5t s ILE 169 CO 0.07 0.39 1.17 0.00 0.00 0.00 0.00 174.94 176.57 3h5t s ALA 170 N 1.54 -2.05 0.61 9.38 0.00 -0.92 -1.22 121.76 129.11 3h5t s ALA 170 Ca 0.04 1.48 -0.05 0.00 0.00 0.00 0.00 51.96 53.43 3h5t s ALA 170 Cb -0.13 -0.03 0.02 0.00 0.00 0.00 0.00 23.12 22.99 3h5t s ALA 170 CO -0.10 -0.63 0.91 -1.25 0.00 0.00 0.00 175.76 174.69 3h5t s PRO 171 N -2.51 2.70 -0.55 0.00 0.04 -1.26 -0.84 135.00 132.59 3h5t s PRO 171 Ca 0.09 -0.16 -0.25 0.00 0.04 0.00 0.00 61.00 60.72 3h5t s PRO 171 Cb -0.01 -2.28 0.04 0.00 0.04 0.00 0.00 34.50 32.29 3h5t s PRO 171 CO -0.05 -0.82 1.00 1.21 0.04 0.00 0.00 177.00 178.38 3h5t s ASN 172 N -4.37 6.38 0.18 6.66 3.04 -1.26 -4.83 114.94 120.74 3h5t s ASN 172 Ca 0.55 -0.21 -0.06 0.00 0.04 0.00 0.00 52.86 53.19 3h5t s ASN 172 Cb -0.11 -2.47 0.09 0.00 -1.54 0.00 0.00 41.25 37.23 3h5t s ASN 172 CO 0.44 -1.28 1.53 0.78 -3.04 0.00 0.00 177.10 175.53 3h5t h ASN 173 N 9.35 0.78 -0.75 -4.21 2.35 -1.94 0.38 115.58 121.55 3h5t h ASN 173 Ca -0.26 -0.36 0.02 0.00 -0.55 0.00 0.00 56.30 55.15 3h5t h ASN 173 Cb 1.07 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 39.18 3h5t h ASN 173 CO 1.11 1.09 0.50 -0.09 -1.65 0.00 0.00 177.43 178.39 3h5t h ARG 174 N 0.60 0.96 0.19 0.81 2.43 -1.91 -2.57 114.38 114.89 3h5t h ARG 174 Ca 0.05 -0.06 -0.34 0.00 -0.81 0.00 0.00 59.98 58.82 3h5t h ARG 174 Cb 0.96 -0.22 0.01 0.00 -0.42 0.00 0.00 29.97 30.31 3h5t h ARG 174 CO 0.09 0.64 -1.67 0.87 -1.51 0.00 0.00 179.97 178.39 3h5t h LYS 175 N 0.99 0.41 0.00 0.20 1.57 -1.84 -3.33 116.57 114.56 3h5t h LYS 175 Ca 0.28 -0.69 -0.01 0.00 -1.87 0.00 0.00 60.65 58.36 3h5t h LYS 175 Cb -0.07 0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 3h5t h LYS 175 CO -0.07 1.32 -0.06 0.00 -0.57 0.00 0.00 179.45 180.07 3h5t h ALA 176 N 0.18 1.74 0.00 3.86 0.00 -0.07 -2.34 119.26 122.63 3h5t h ALA 176 Ca -0.31 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 3h5t h ALA 176 Cb 2.10 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.88 3h5t h ALA 176 CO 0.20 0.07 -0.43 0.97 0.00 0.00 0.00 179.25 180.05 3h5t h ILE 177 N 0.00 0.26 -0.53 0.00 6.09 -1.61 -3.38 117.51 118.35 3h5t h ILE 177 Ca -0.00 -1.40 0.10 0.00 -1.37 0.00 0.00 64.86 62.19 3h5t h ILE 177 Cb 0.11 2.02 -0.11 0.00 0.47 0.00 0.00 36.82 39.31 3h5t h ILE 177 CO 0.01 0.15 -0.27 0.00 -3.07 0.00 0.00 178.15 174.97 3h5t h ALA 178 N 1.82 0.07 -0.82 0.18 0.00 -1.53 -1.06 119.26 117.93 3h5t h ALA 178 Ca -0.01 0.17 0.23 0.00 0.00 0.00 0.00 54.91 55.29 3h5t h ALA 178 Cb 1.15 0.64 -0.04 0.00 0.00 0.00 0.00 17.79 19.54 3h5t h ALA 178 CO 0.02 -0.60 0.58 -1.35 0.00 0.00 0.00 179.25 177.90 3h5t h PRO 179 N -0.14 0.06 0.02 0.00 0.11 -1.76 0.53 132.00 130.83 3h5t h PRO 179 Ca 0.23 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.28 3h5t h PRO 179 Cb 0.51 -0.01 0.01 0.00 0.11 0.00 0.00 31.00 31.61 3h5t h PRO 179 CO -0.61 0.04 -0.24 0.00 -0.21 0.00 0.00 178.00 176.98 3h5t h ALA 180 N 1.60 0.00 -0.53 -0.75 0.00 -1.46 -2.11 119.26 116.02 3h5t h ALA 180 Ca 0.39 -0.50 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 3h5t h ALA 180 Cb 1.47 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.27 3h5t h ALA 180 CO -0.03 0.08 -0.09 0.00 0.00 0.00 0.00 179.25 179.22 3h5t h ALA 181 N 0.17 0.85 -0.49 0.00 0.00 -1.13 -2.62 119.26 116.03 3h5t h ALA 181 Ca -0.04 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 3h5t h ALA 181 Cb 1.07 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3h5t h ALA 181 CO 0.05 0.65 0.29 0.37 0.00 0.00 0.00 179.25 180.61 3h5t h GLN 182 N 0.87 0.66 -0.45 0.00 5.75 -1.00 -1.60 115.11 119.34 3h5t h GLN 182 Ca 0.14 -0.06 0.05 0.00 -0.15 0.00 0.00 58.65 58.63 3h5t h GLN 182 Cb 0.63 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 29.02 3h5t h GLN 182 CO 0.04 0.49 0.30 0.00 -2.65 0.00 0.00 178.83 177.02 3h5t h ALA 183 N 1.14 1.91 -0.27 3.38 0.00 -1.16 0.17 119.26 124.43 3h5t h ALA 183 Ca 0.17 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.88 3h5t h ALA 183 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3h5t h ALA 183 CO -0.03 0.02 -0.56 -0.07 0.00 0.00 0.00 179.25 178.60 3h5t h LEU 184 N 0.41 0.97 -0.56 0.00 3.38 -0.98 -3.03 115.31 115.48 3h5t h LEU 184 Ca 0.19 -0.54 -0.13 0.00 0.09 0.00 0.00 57.88 57.49 3h5t h LEU 184 Cb 0.25 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3h5t h LEU 184 CO -0.05 1.33 -0.21 0.40 0.09 0.00 0.00 178.44 180.00 3h5t h ILE 185 N 0.64 1.27 0.00 1.22 1.08 -0.32 -2.64 117.51 118.77 3h5t h ILE 185 Ca 0.01 -1.36 0.00 0.00 -0.39 0.00 0.00 64.86 63.11 3h5t h ILE 185 Cb 1.18 1.14 0.00 0.00 -3.07 0.00 0.00 36.82 36.07 3h5t h ILE 185 CO 0.12 0.47 0.00 0.44 -0.69 0.00 0.00 178.15 178.49 3h5t h ASP 186 N 0.80 0.00 -0.65 1.72 3.32 -0.68 0.40 116.42 121.34 3h5t h ASP 186 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3h5t h ASP 186 Cb 0.77 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.32 3h5t h ASP 186 CO 0.06 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.58 3h5t n ALA 187 N -1.92 2.75 -1.13 3.45 0.00 -1.07 -4.94 120.51 117.65 3h5t n ALA 187 Ca -0.00 -1.34 -0.04 0.00 0.00 0.00 0.00 53.44 52.05 3h5t n ALA 187 Cb 0.15 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.60 3h5t n ALA 187 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h5t n GLY 188 N 1.33 0.71 3.74 0.00 0.00 0.13 -5.02 105.19 106.08 3h5t n GLY 188 Ca 0.24 -0.56 -0.40 0.00 0.00 0.00 0.00 46.02 45.29 3h5t n GLY 188 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3h5t s HIS 189 N -2.08 3.86 0.00 1.61 3.76 -1.02 -4.91 115.29 116.52 3h5t s HIS 189 Ca 0.00 1.77 0.00 0.00 -0.15 0.00 0.00 55.06 56.68 3h5t s HIS 189 Cb 0.00 -2.97 0.00 0.00 1.11 0.00 0.00 32.58 30.72 3h5t s HIS 189 CO 0.00 0.32 0.00 0.54 -0.85 0.00 0.00 174.74 174.75 3h5t n ARG 190 N 2.30 2.89 -3.09 1.40 5.12 -1.26 -4.51 116.66 119.51 3h5t n ARG 190 Ca -0.00 0.00 -0.44 0.00 -1.93 0.00 0.00 57.85 55.47 3h5t n ARG 190 Cb 0.49 -0.72 0.00 0.00 -1.16 0.00 0.00 32.46 31.06 3h5t n ARG 190 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3h5t n LYS 191 N -0.81 3.63 -4.23 5.56 5.02 -1.26 -4.99 118.16 121.07 3h5t n LYS 191 Ca 0.00 -4.20 -0.35 0.00 -2.02 0.00 0.00 58.31 51.74 3h5t n LYS 191 Cb 0.06 -2.73 -0.08 0.00 -0.02 0.00 0.00 35.03 32.26 3h5t n LYS 191 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3h5t s ILE 192 N -0.47 4.56 0.24 -0.18 1.01 -1.26 -1.53 121.20 123.57 3h5t s ILE 192 Ca 0.35 -0.25 0.10 0.00 0.00 0.00 0.00 60.65 60.85 3h5t s ILE 192 Cb -0.04 -2.98 -0.04 0.00 0.01 0.00 0.00 42.46 39.41 3h5t s ILE 192 CO -0.02 0.53 -0.10 -0.83 0.00 0.00 0.00 174.94 174.52 3h5t s GLY 193 N -1.16 1.73 0.02 6.18 0.00 -0.67 -4.12 107.32 109.30 3h5t s GLY 193 Ca 0.16 -1.64 0.06 0.00 0.00 0.00 0.00 44.72 43.30 3h5t s GLY 193 CO 0.06 -1.70 -0.18 -0.42 0.00 0.00 0.00 173.10 170.87 3h5t s ILE 194 N -2.11 1.40 -0.02 0.90 1.01 -0.44 -1.07 121.20 120.87 3h5t s ILE 194 Ca 0.28 -0.94 0.06 0.00 0.00 0.00 0.00 60.65 60.05 3h5t s ILE 194 Cb -0.07 -1.20 -0.01 0.00 0.01 0.00 0.00 42.46 41.18 3h5t s ILE 194 CO 0.16 0.24 -0.20 -0.76 0.00 0.00 0.00 174.94 174.38 3h5t s LEU 195 N -0.81 2.03 0.11 2.97 1.43 -0.73 -1.80 118.68 121.87 3h5t s LEU 195 Ca 0.06 -0.38 -0.02 0.00 -1.03 0.00 0.00 54.13 52.77 3h5t s LEU 195 Cb -0.08 -1.06 -0.04 0.00 0.03 0.00 0.00 46.19 45.05 3h5t s LEU 195 CO 0.01 0.24 0.05 -0.44 0.23 0.00 0.00 176.35 176.44 3h5t s SER 196 N -0.40 0.33 0.03 2.29 0.01 -0.43 -1.71 113.70 113.82 3h5t s SER 196 Ca 0.06 -1.12 0.00 0.00 1.31 0.00 0.00 55.95 56.21 3h5t s SER 196 Cb -0.09 0.28 0.00 0.00 0.21 0.00 0.00 66.02 66.43 3h5t s SER 196 CO -0.00 -0.71 0.04 2.30 0.41 0.00 0.00 173.24 175.28 3h5t n ILE 197 N -0.05 0.00 -1.33 1.44 -5.35 -1.26 -2.18 119.36 110.63 3h5t n ILE 197 Ca -0.08 -0.10 -0.53 0.00 -0.27 0.00 0.00 62.75 61.77 3h5t n ILE 197 Cb 0.63 -0.91 -0.08 0.00 -1.74 0.00 0.00 39.64 37.54 3h5t n ILE 197 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 3h5t n ARG 198 N -1.00 0.00 -0.03 6.28 0.63 -1.19 -4.70 116.66 116.64 3h5t n ARG 198 Ca 0.01 0.00 0.05 0.00 -0.92 0.00 0.00 57.85 56.98 3h5t n ARG 198 Cb 0.03 -1.18 -0.16 0.00 0.45 0.00 0.00 32.46 31.60 3h5t n ARG 198 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3h5t n LEU 199 N 3.46 0.00 -3.83 6.15 4.77 -1.26 -4.75 117.00 121.54 3h5t n LEU 199 Ca 0.27 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.17 3h5t n LEU 199 Cb -0.05 0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3h5t n LEU 199 CO 0.71 0.14 0.50 -0.62 -1.33 0.00 0.00 177.39 176.78 3h5t s ASP 200 N -4.69 -0.12 0.05 -1.43 -1.08 -1.26 -1.92 116.67 106.22 3h5t s ASP 200 Ca -0.08 -0.88 -0.23 0.00 -0.52 0.00 0.00 52.55 50.83 3h5t s ASP 200 Cb 0.11 0.79 -0.16 0.00 -1.46 0.00 0.00 42.92 42.21 3h5t s ASP 200 CO 0.85 -1.52 1.56 0.03 0.52 0.00 0.00 175.17 176.61 3h5t h ARG 201 N 2.00 0.05 -6.24 4.34 3.08 -1.97 -3.42 114.38 112.22 3h5t h ARG 201 Ca -0.26 -0.01 -0.55 0.00 0.07 0.00 0.00 59.98 59.23 3h5t h ARG 201 Cb 1.25 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 31.30 3h5t h ARG 201 CO 0.32 0.23 1.27 0.00 -1.07 0.00 0.00 179.97 180.72 3h5t s ALA 202 N -5.43 3.32 0.33 0.04 0.00 -1.26 -3.92 121.76 114.84 3h5t s ALA 202 Ca -0.14 1.03 -0.26 0.00 0.00 0.00 0.00 51.96 52.58 3h5t s ALA 202 Cb 0.05 -3.90 -0.13 0.00 0.00 0.00 0.00 23.12 19.14 3h5t s ALA 202 CO 0.67 -1.92 0.91 -1.71 0.00 0.00 0.00 175.76 173.71 3h5t n ASN 203 N 8.70 0.82 -3.59 0.00 2.85 -1.26 -5.00 115.26 117.77 3h5t n ASN 203 Ca 0.22 1.10 -0.02 0.00 -0.11 0.00 0.00 54.58 55.78 3h5t n ASN 203 Cb 0.43 -1.26 -0.05 0.00 1.24 0.00 0.00 39.78 40.14 3h5t n ASN 203 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 3h5t s ASN 204 N -0.68 -0.93 0.07 1.20 3.84 -1.26 -5.10 114.94 112.08 3h5t s ASN 204 Ca 0.61 1.32 0.10 0.00 0.21 0.00 0.00 52.86 55.09 3h5t s ASN 204 Cb -0.67 1.91 -0.03 0.00 -0.55 0.00 0.00 41.25 41.91 3h5t s ASN 204 CO 0.59 -0.19 -0.26 -1.81 -2.79 0.00 0.00 177.10 172.64 3h5t s ASP 205 N 2.46 3.28 0.00 -4.21 1.01 -1.26 -3.17 116.67 114.77 3h5t s ASP 205 Ca -0.06 -0.63 0.00 0.00 0.71 0.00 0.00 52.55 52.57 3h5t s ASP 205 Cb -0.09 -0.30 0.00 0.00 1.01 0.00 0.00 42.92 43.55 3h5t s ASP 205 CO -0.18 0.23 0.00 0.61 0.21 0.00 0.00 175.17 176.04 3h5t n GLY 206 N 1.47 -0.07 3.53 0.21 0.00 0.09 -4.90 105.19 105.52 3h5t n GLY 206 Ca -0.17 -1.33 -0.50 0.00 0.00 0.00 0.00 46.02 44.02 3h5t n GLY 206 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3h5t n GLU 207 N 1.77 0.77 -4.08 1.61 2.13 -1.26 -1.22 120.64 120.37 3h5t n GLU 207 Ca 0.00 0.28 -0.35 0.00 0.66 0.00 0.00 57.16 57.75 3h5t n GLU 207 Cb 0.00 -1.67 -0.13 0.00 0.27 0.00 0.00 31.44 29.91 3h5t n GLU 207 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3h5t s VAL 208 N -0.38 3.66 0.44 6.31 1.01 0.84 -4.82 120.40 127.46 3h5t s VAL 208 Ca 0.73 -0.41 -0.10 0.00 0.00 0.00 0.00 61.98 62.20 3h5t s VAL 208 Cb -0.92 -2.65 -0.06 0.00 0.00 0.00 0.00 36.38 32.75 3h5t s VAL 208 CO 0.54 0.43 0.81 0.42 0.00 0.00 0.00 175.10 177.30 3h5t s THR 209 N 1.12 4.79 0.32 3.92 -4.23 -1.26 -4.70 115.64 115.60 3h5t s THR 209 Ca 0.02 0.58 0.07 0.00 -1.18 0.00 0.00 61.69 61.18 3h5t s THR 209 Cb -0.15 -3.77 0.31 0.00 1.34 0.00 0.00 72.50 70.23 3h5t s THR 209 CO 0.00 -0.65 1.80 -0.09 -0.54 0.00 0.00 174.62 175.14 3h5t h ARG 210 N 0.89 0.74 -0.20 3.99 2.43 -1.99 -1.42 114.38 118.81 3h5t h ARG 210 Ca -0.47 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 58.63 3h5t h ARG 210 Cb 1.19 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.57 3h5t h ARG 210 CO 0.63 0.49 0.04 1.49 -1.51 0.00 0.00 179.97 181.10 3h5t h GLU 211 N 0.76 0.33 -0.95 0.20 4.81 -1.98 0.06 114.58 117.81 3h5t h GLU 211 Ca 0.55 -0.09 0.01 0.00 -0.13 0.00 0.00 59.36 59.70 3h5t h GLU 211 Cb 0.85 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.15 3h5t h GLU 211 CO -0.32 0.48 0.63 -0.09 -0.73 0.00 0.00 179.01 178.97 3h5t h ARG 212 N 0.13 1.24 0.23 1.92 2.43 -1.68 -1.37 114.38 117.29 3h5t h ARG 212 Ca 0.06 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 3h5t h ARG 212 Cb 0.31 -0.28 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 3h5t h ARG 212 CO 0.00 0.82 -0.11 1.25 -1.51 0.00 0.00 179.97 180.42 3h5t h LEU 213 N 1.28 -0.26 -1.69 3.80 5.85 -1.13 -0.70 115.31 122.47 3h5t h LEU 213 Ca 0.35 -0.19 0.07 0.00 0.84 0.00 0.00 57.88 58.95 3h5t h LEU 213 Cb -0.14 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 3h5t h LEU 213 CO -0.08 0.05 0.33 -0.08 -0.34 0.00 0.00 178.44 178.33 3h5t h GLU 214 N -0.60 0.37 -0.27 1.25 4.81 -0.83 -1.87 114.58 117.44 3h5t h GLU 214 Ca -0.03 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3h5t h GLU 214 Cb 0.43 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.73 3h5t h GLU 214 CO 0.05 0.24 0.00 0.09 -0.73 0.00 0.00 179.01 178.67 3h5t n ASN 215 N -4.47 3.31 -4.65 1.04 3.02 -0.53 -4.99 115.26 107.99 3h5t n ASN 215 Ca 0.07 -1.99 -0.51 0.00 -0.03 0.00 0.00 54.58 52.12 3h5t n ASN 215 Cb 0.29 -0.17 -0.06 0.00 -0.61 0.00 0.00 39.78 39.24 3h5t n ASN 215 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h5t n ALA 216 N 1.44 0.13 0.78 5.41 0.00 -0.27 -4.87 120.51 123.14 3h5t n ALA 216 Ca 0.17 0.43 0.11 0.00 0.00 0.00 0.00 53.44 54.16 3h5t n ALA 216 Cb 0.60 -2.25 0.06 0.00 0.00 0.00 0.00 19.45 17.86 3h5t n ALA 216 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3h5t n GLN 217 N 4.05 0.14 -2.89 0.00 1.13 -0.94 -4.63 117.38 114.25 3h5t n GLN 217 Ca 0.20 -0.00 -0.44 0.00 -1.94 0.00 0.00 57.00 54.83 3h5t n GLN 217 Cb 0.22 -1.55 -0.02 0.00 0.11 0.00 0.00 30.24 29.01 3h5t n GLN 217 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 3h5t s TYR 218 N -3.10 3.17 1.13 1.08 2.02 -0.81 -1.51 117.35 119.33 3h5t s TYR 218 Ca 0.07 -1.56 -0.13 0.00 -0.37 0.00 0.00 57.07 55.08 3h5t s TYR 218 Cb 0.16 -4.34 0.24 0.00 -0.40 0.00 0.00 41.96 37.62 3h5t s TYR 218 CO 0.79 -1.51 0.87 1.04 -1.57 0.00 0.00 175.55 175.17 3h5t n GLN 219 N 6.54 -2.05 0.00 -0.62 6.02 -1.26 -2.34 117.38 123.67 3h5t n GLN 219 Ca 0.29 -0.56 0.00 0.00 -0.01 0.00 0.00 57.00 56.71 3h5t n GLN 219 Cb 0.47 -2.12 0.00 0.00 1.02 0.00 0.00 30.24 29.62 3h5t n GLN 219 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3h5t n VAL 220 N -4.79 0.00 0.34 5.09 0.31 -1.26 -4.46 118.33 113.56 3h5t n VAL 220 Ca 0.04 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.20 3h5t n VAL 220 Cb 0.55 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.39 3h5t n VAL 220 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 3h5t h GLN 221 N 0.00 -0.81 -0.40 5.55 1.08 -1.85 0.75 115.11 119.42 3h5t h GLN 221 Ca 0.00 0.06 0.05 0.00 -1.45 0.00 0.00 58.65 57.31 3h5t h GLN 221 Cb 0.00 0.18 -0.05 0.00 -0.05 0.00 0.00 27.48 27.57 3h5t h GLN 221 CO 0.00 -0.52 0.13 -0.09 -0.95 0.00 0.00 178.83 177.40 3h5t h ARG 222 N -0.91 0.28 -0.02 1.46 2.43 -1.68 -0.99 114.38 114.95 3h5t h ARG 222 Ca -0.09 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 58.95 3h5t h ARG 222 Cb 0.67 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 3h5t h ARG 222 CO 0.14 0.18 -0.53 -0.44 -1.51 0.00 0.00 179.97 177.82 3h5t h ASP 223 N 0.28 0.05 0.83 -3.80 5.19 -1.79 -0.58 116.42 116.60 3h5t h ASP 223 Ca 0.19 -0.03 -0.17 0.00 -0.62 0.00 0.00 57.03 56.40 3h5t h ASP 223 Cb 0.18 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 39.65 3h5t h ASP 223 CO -0.20 0.57 -0.80 0.03 -3.12 0.00 0.00 179.24 175.73 3h5t h ARG 224 N 0.04 0.00 -0.16 3.56 3.08 0.89 -1.03 114.38 120.76 3h5t h ARG 224 Ca -0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.96 3h5t h ARG 224 Cb 0.95 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.00 3h5t h ARG 224 CO 0.07 0.80 -0.23 0.28 -1.07 0.00 0.00 179.97 179.81 3h5t h VAL 225 N 0.00 1.35 0.23 2.04 2.07 -0.98 -2.63 116.25 118.34 3h5t h VAL 225 Ca -0.01 -1.45 -0.01 0.00 0.82 0.00 0.00 66.70 66.05 3h5t h VAL 225 Cb 1.43 1.92 0.00 0.00 -1.52 0.00 0.00 31.29 33.12 3h5t h VAL 225 CO 0.10 0.43 -0.11 0.03 0.02 0.00 0.00 177.57 178.05 3h5t h ARG 226 N 0.06 -0.30 -0.99 1.57 2.47 -1.05 -0.68 114.38 115.46 3h5t h ARG 226 Ca 0.02 0.02 0.04 0.00 -1.26 0.00 0.00 59.98 58.80 3h5t h ARG 226 Cb 0.80 0.07 -0.06 0.00 -1.65 0.00 0.00 29.97 29.13 3h5t h ARG 226 CO 0.05 -0.16 0.64 0.78 0.56 0.00 0.00 179.97 181.85 3h5t h GLY 227 N -0.37 1.45 0.82 0.04 0.00 -1.26 0.21 103.07 103.96 3h5t h GLY 227 Ca -0.03 -0.49 -0.05 0.00 0.00 0.00 0.00 47.33 46.76 3h5t h GLY 227 CO 0.05 0.40 -0.07 0.00 0.00 0.00 0.00 176.54 176.93 3h5t h ALA 228 N 1.44 0.30 -0.18 3.60 0.00 -1.34 -2.86 119.26 120.22 3h5t h ALA 228 Ca 0.40 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3h5t h ALA 228 Cb 0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3h5t h ALA 228 CO -0.13 0.10 0.06 1.98 0.00 0.00 0.00 179.25 181.25 3h5t h MET 229 N 0.15 0.24 -0.10 0.00 -1.53 -0.51 -1.68 114.93 111.50 3h5t h MET 229 Ca 0.05 -0.02 -0.10 0.00 -3.44 0.00 0.00 59.70 56.19 3h5t h MET 229 Cb 0.53 -0.05 -0.01 0.00 -0.55 0.00 0.00 31.60 31.52 3h5t h MET 229 CO 0.02 0.22 -0.39 0.93 0.14 0.00 0.00 176.91 177.83 3h5t h GLU 230 N 0.25 0.22 0.00 0.39 5.08 -0.41 -0.86 114.58 119.24 3h5t h GLU 230 Ca 0.06 -0.10 -0.17 0.00 -1.00 0.00 0.00 59.36 58.15 3h5t h GLU 230 Cb 0.08 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 3h5t h GLU 230 CO -0.01 0.58 -0.82 0.28 -1.00 0.00 0.00 179.01 178.05 3h5t h VAL 231 N 0.19 1.57 -0.08 3.13 2.07 -1.11 -2.86 116.25 119.15 3h5t h VAL 231 Ca 0.02 -2.81 -0.23 0.00 0.82 0.00 0.00 66.70 64.50 3h5t h VAL 231 Cb 0.78 2.52 0.01 0.00 -1.52 0.00 0.00 31.29 33.08 3h5t h VAL 231 CO 0.06 0.80 -0.86 -0.26 0.02 0.00 0.00 177.57 177.33 3h5t h PHE 232 N 0.00 0.88 -0.54 1.57 0.04 -1.02 -2.94 116.94 114.92 3h5t h PHE 232 Ca -0.01 -0.43 -0.00 0.00 2.80 0.00 0.00 57.97 60.33 3h5t h PHE 232 Cb 1.46 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 39.46 3h5t h PHE 232 CO 0.00 1.24 0.32 0.82 -0.60 0.00 0.00 178.31 180.10 3h5t h ILE 233 N 0.40 1.17 0.00 -0.55 2.04 -1.17 -1.08 117.51 118.31 3h5t h ILE 233 Ca -0.07 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 3h5t h ILE 233 Cb 1.49 0.43 -0.00 0.00 -0.74 0.00 0.00 36.82 38.00 3h5t h ILE 233 CO 0.17 0.17 -0.04 -0.08 0.00 0.00 0.00 178.15 178.37 3h5t h GLU 234 N 0.73 0.00 0.00 2.37 4.57 -1.52 -0.36 114.58 120.38 3h5t h GLU 234 Ca 0.19 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.37 3h5t h GLU 234 Cb -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.58 3h5t h GLU 234 CO -0.04 0.04 -0.26 0.00 -1.18 0.00 0.00 179.01 177.57 3h5t h ALA 235 N 1.96 0.84 0.00 2.92 0.00 -1.03 -3.47 119.26 120.48 3h5t h ALA 235 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3h5t h ALA 235 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3h5t h ALA 235 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 3h5t n GLY 236 N 1.26 1.22 3.63 0.00 0.00 -0.14 -5.09 105.19 106.07 3h5t n GLY 236 Ca 0.04 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.60 3h5t n GLY 236 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3h5t n ILE 237 N -0.08 1.04 -3.11 -0.61 5.41 -0.89 -4.93 119.36 116.19 3h5t n ILE 237 Ca 0.00 -0.26 -0.40 0.00 1.00 0.00 0.00 62.75 63.09 3h5t n ILE 237 Cb 0.00 -1.20 -0.06 0.00 -0.71 0.00 0.00 39.64 37.67 3h5t n ILE 237 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3h5t s ASP 238 N 0.10 6.65 0.37 4.38 2.15 -1.26 -4.06 116.67 124.99 3h5t s ASP 238 Ca 0.69 0.79 0.19 0.00 0.43 0.00 0.00 52.55 54.65 3h5t s ASP 238 Cb -0.73 -2.34 1.21 0.00 -0.30 0.00 0.00 42.92 40.76 3h5t s ASP 238 CO 0.52 -0.31 1.64 -0.65 -0.17 0.00 0.00 175.17 176.20 3h5t h PRO 239 N 7.64 0.21 0.00 4.34 0.11 -1.94 0.20 132.00 142.55 3h5t h PRO 239 Ca -0.30 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3h5t h PRO 239 Cb 1.13 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3h5t h PRO 239 CO 0.77 0.14 0.00 0.78 -0.21 0.00 0.00 178.00 179.48 3h5t h GLY 240 N 0.21 0.00 1.06 -0.55 0.00 -2.03 -2.58 103.07 99.19 3h5t h GLY 240 Ca 0.77 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.10 3h5t h GLY 240 CO -0.59 0.00 -0.65 -1.30 0.00 0.00 0.00 176.54 174.00 3h5t n THR 241 N -2.49 0.26 -3.09 4.70 -2.24 0.06 -4.78 114.28 106.70 3h5t n THR 241 Ca 0.00 -0.22 -0.44 0.00 -2.27 0.00 0.00 64.05 61.12 3h5t n THR 241 Cb 0.16 -0.02 -0.05 0.00 -2.10 0.00 0.00 70.33 68.31 3h5t n THR 241 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3h5t s VAL 242 N -3.14 4.77 0.44 2.28 1.01 -0.97 -4.91 120.40 119.88 3h5t s VAL 242 Ca 0.07 -0.62 -0.25 0.00 0.00 0.00 0.00 61.98 61.18 3h5t s VAL 242 Cb 0.14 -4.42 -0.08 0.00 0.00 0.00 0.00 36.38 32.02 3h5t s VAL 242 CO 0.73 -1.01 1.33 -2.16 0.00 0.00 0.00 175.10 173.99 3h5t s PRO 243 N 2.87 3.76 -0.18 2.72 0.04 -1.26 -4.85 135.00 138.10 3h5t s PRO 243 Ca 0.15 2.21 -0.02 0.00 0.04 0.00 0.00 61.00 63.39 3h5t s PRO 243 Cb -0.20 -2.63 0.05 0.00 0.04 0.00 0.00 34.50 31.75 3h5t s PRO 243 CO 0.10 -0.68 -0.00 0.42 0.04 0.00 0.00 177.00 176.88 3h5t s ILE 244 N -1.27 0.78 0.19 0.56 1.01 -1.26 -1.32 121.20 119.88 3h5t s ILE 244 Ca 0.60 -0.57 0.08 0.00 0.00 0.00 0.00 60.65 60.77 3h5t s ILE 244 Cb -0.39 -1.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.91 3h5t s ILE 244 CO 0.50 -0.05 -0.05 -0.04 0.00 0.00 0.00 174.94 175.30 3h5t s MET 245 N 1.76 2.22 0.06 2.79 -1.94 -0.74 -0.11 119.30 123.34 3h5t s MET 245 Ca -0.00 -1.22 -0.00 0.00 -1.71 0.00 0.00 55.69 52.75 3h5t s MET 245 Cb -0.16 -2.24 -0.04 0.00 2.01 0.00 0.00 34.83 34.40 3h5t s MET 245 CO -0.07 0.43 -0.04 -2.00 -0.01 0.00 0.00 175.02 173.33 3h5t s GLU 246 N -2.97 0.63 -0.19 2.03 2.12 -0.35 -1.31 118.70 118.66 3h5t s GLU 246 Ca 0.27 -1.19 -0.01 0.00 0.36 0.00 0.00 54.97 54.40 3h5t s GLU 246 Cb -0.09 0.12 0.05 0.00 0.26 0.00 0.00 34.13 34.48 3h5t s GLU 246 CO 0.17 -0.09 -0.04 0.00 -0.54 0.00 0.00 175.26 174.77 3h5t h TRP 248 N 8.09 0.88 -3.33 0.00 7.01 -1.87 -3.15 115.95 123.58 3h5t h TRP 248 Ca -0.21 0.03 -0.61 0.00 2.11 0.00 0.00 58.89 60.22 3h5t h TRP 248 Cb 1.10 -0.27 -0.13 0.00 -2.10 0.00 0.00 29.16 27.76 3h5t h TRP 248 CO 0.43 0.33 -0.51 0.42 -2.79 0.00 0.00 178.44 176.32 3h5t s ILE 249 N -6.01 5.23 -0.82 2.65 1.01 -1.26 -4.07 121.20 117.93 3h5t s ILE 249 Ca -0.12 0.13 -0.18 0.00 0.00 0.00 0.00 60.65 60.47 3h5t s ILE 249 Cb 0.20 -3.39 0.14 0.00 0.01 0.00 0.00 42.46 39.42 3h5t s ILE 249 CO 0.78 0.43 0.95 0.21 0.00 0.00 0.00 174.94 177.32 3h5t s ASN 250 N 0.48 6.53 0.31 3.58 2.47 -1.26 -4.71 114.94 122.34 3h5t s ASN 250 Ca 0.07 -1.97 0.05 0.00 0.42 0.00 0.00 52.86 51.42 3h5t s ASN 250 Cb -0.12 -2.34 -0.06 0.00 -1.45 0.00 0.00 41.25 37.28 3h5t s ASN 250 CO -0.00 -1.00 0.02 0.20 -3.72 0.00 0.00 177.10 172.59 3h5t s ASN 251 N 3.32 2.53 0.22 -4.21 0.02 -1.26 -5.01 114.94 110.56 3h5t s ASN 251 Ca 0.24 -1.32 -0.02 0.00 -1.02 0.00 0.00 52.86 50.75 3h5t s ASN 251 Cb -0.11 -0.12 0.22 0.00 0.02 0.00 0.00 41.25 41.27 3h5t s ASN 251 CO -0.05 -0.52 1.62 -0.09 0.02 0.00 0.00 177.10 178.09 3h5t h ARG 252 N 2.16 0.65 -0.09 -0.60 2.43 -1.96 -0.08 114.38 116.89 3h5t h ARG 252 Ca -0.41 -0.29 -0.22 0.00 -0.81 0.00 0.00 59.98 58.25 3h5t h ARG 252 Cb 1.24 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 30.78 3h5t h ARG 252 CO 0.69 0.88 -0.84 0.37 -1.51 0.00 0.00 179.97 179.56 3h5t h GLN 253 N 0.55 0.64 -0.01 0.20 5.75 -1.97 -2.86 115.11 117.41 3h5t h GLN 253 Ca 0.06 -0.57 -0.21 0.00 -0.15 0.00 0.00 58.65 57.79 3h5t h GLN 253 Cb 0.81 0.13 -0.00 0.00 1.07 0.00 0.00 27.48 29.49 3h5t h GLN 253 CO 0.07 1.18 -0.90 0.45 -2.65 0.00 0.00 178.83 176.98 3h5t h HIS 254 N 0.41 0.52 -0.58 3.99 3.86 -1.83 -2.28 115.15 119.23 3h5t h HIS 254 Ca -0.06 -0.28 -0.03 0.00 -1.16 0.00 0.00 60.37 58.84 3h5t h HIS 254 Cb 1.46 -0.06 -0.03 0.00 1.06 0.00 0.00 27.41 29.84 3h5t h HIS 254 CO 0.08 1.09 0.24 -0.91 0.86 0.00 0.00 177.93 179.28 3h5t h ASN 255 N 0.20 0.76 0.33 2.45 2.35 -1.05 -0.69 115.58 119.94 3h5t h ASN 255 Ca -0.06 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.58 3h5t h ASN 255 Cb 1.53 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 39.70 3h5t h ASN 255 CO 0.15 0.68 -0.16 0.15 -1.65 0.00 0.00 177.43 176.60 3h5t h PHE 256 N 0.83 -0.41 0.18 1.19 3.57 -1.45 -2.73 116.94 118.12 3h5t h PHE 256 Ca 0.20 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.70 3h5t h PHE 256 Cb 0.15 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.98 3h5t h PHE 256 CO 0.01 -0.08 -0.47 0.93 -2.23 0.00 0.00 178.31 176.46 3h5t h GLU 257 N -0.81 -0.72 -0.37 1.11 4.39 -1.20 0.24 114.58 117.23 3h5t h GLU 257 Ca -0.05 0.05 0.11 0.00 0.34 0.00 0.00 59.36 59.81 3h5t h GLU 257 Cb 0.52 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.32 3h5t h GLU 257 CO 0.08 -0.48 0.31 -0.24 -1.16 0.00 0.00 179.01 177.51 3h5t h VAL 258 N -0.75 0.61 0.06 3.13 3.04 -1.22 0.13 116.25 121.25 3h5t h VAL 258 Ca -0.00 0.00 -0.28 0.00 -1.01 0.00 0.00 66.70 65.41 3h5t h VAL 258 Cb 0.74 0.77 0.02 0.00 -2.01 0.00 0.00 31.29 30.82 3h5t h VAL 258 CO -0.23 0.00 -1.15 0.00 -1.01 0.00 0.00 177.57 175.18 3h5t h ALA 259 N 1.72 0.07 -0.12 3.17 0.00 -0.93 -2.96 119.26 120.21 3h5t h ALA 259 Ca 0.17 -0.74 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 3h5t h ALA 259 Cb 0.80 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3h5t h ALA 259 CO -0.00 0.70 0.05 -0.22 0.00 0.00 0.00 179.25 179.78 3h5t h LYS 260 N 0.32 0.18 -0.64 0.00 3.64 0.88 -2.58 116.57 118.37 3h5t h LYS 260 Ca -0.16 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.24 3h5t h LYS 260 Cb 1.81 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 33.55 3h5t h LYS 260 CO 0.22 0.27 0.37 1.49 -2.27 0.00 0.00 179.45 179.53 3h5t h GLU 261 N 0.05 0.68 -0.35 1.90 4.81 -1.24 0.15 114.58 120.59 3h5t h GLU 261 Ca 0.04 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 3h5t h GLU 261 Cb 0.15 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 3h5t h GLU 261 CO -0.00 0.45 0.04 1.25 -0.73 0.00 0.00 179.01 180.02 3h5t h LEU 262 N 0.70 0.56 -0.24 1.64 5.85 -1.47 0.12 115.31 122.49 3h5t h LEU 262 Ca 0.28 -0.27 -0.10 0.00 0.84 0.00 0.00 57.88 58.63 3h5t h LEU 262 Cb 0.12 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 3h5t h LEU 262 CO -0.15 0.70 -0.45 -0.07 -0.34 0.00 0.00 178.44 178.12 3h5t h LEU 263 N 0.41 0.00 0.06 2.25 3.38 -1.31 -0.01 115.31 120.09 3h5t h LEU 263 Ca 0.10 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.83 3h5t h LEU 263 Cb 0.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3h5t h LEU 263 CO 0.01 0.45 -1.16 -0.08 0.09 0.00 0.00 178.44 177.76 3h5t h GLU 264 N 0.00 0.13 0.15 1.13 4.81 -0.62 -3.08 114.58 117.09 3h5t h GLU 264 Ca -0.00 -0.22 -0.30 0.00 -0.13 0.00 0.00 59.36 58.70 3h5t h GLU 264 Cb 1.25 0.08 0.01 0.00 0.63 0.00 0.00 28.75 30.72 3h5t h GLU 264 CO 0.06 1.08 -1.42 1.15 -0.73 0.00 0.00 179.01 179.15 3h5t h THR 265 N 0.04 1.30 -2.72 0.32 2.02 -0.68 -3.39 112.91 109.79 3h5t h THR 265 Ca -0.09 -2.87 -0.61 0.00 0.77 0.00 0.00 66.41 63.61 3h5t h THR 265 Cb 1.88 2.88 -0.41 0.00 -1.74 0.00 0.00 68.15 70.76 3h5t h THR 265 CO 0.16 0.85 -0.68 1.41 0.37 0.00 0.00 175.52 177.63 3h5t n HIS 266 N -3.54 2.36 0.31 3.16 8.25 -0.02 -4.94 115.22 120.80 3h5t n HIS 266 Ca -0.14 -4.06 0.11 0.00 -0.26 0.00 0.00 57.72 53.37 3h5t n HIS 266 Cb 1.05 -0.44 0.50 0.00 1.12 0.00 0.00 29.99 32.22 3h5t n HIS 266 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 3h5t n PRO 267 N 1.87 0.16 0.07 -0.41 -0.02 -1.17 -2.58 135.00 132.93 3h5t n PRO 267 Ca 0.24 0.49 0.13 0.00 -2.02 0.00 0.00 63.50 62.34 3h5t n PRO 267 Cb 0.40 -1.87 0.41 0.00 -0.02 0.00 0.00 33.50 32.42 3h5t n PRO 267 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3h5t n ASP 268 N -2.19 0.58 -4.76 2.55 5.75 -1.26 -4.90 116.55 112.32 3h5t n ASP 268 Ca 0.01 0.44 -0.41 0.00 -0.01 0.00 0.00 54.79 54.81 3h5t n ASP 268 Cb 0.15 -0.52 -0.01 0.00 -1.03 0.00 0.00 41.12 39.72 3h5t n ASP 268 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3h5t n LEU 269 N -2.01 4.57 -0.01 -2.12 4.77 -1.06 -4.92 117.00 116.22 3h5t n LEU 269 Ca 0.06 1.20 0.08 0.00 -0.03 0.00 0.00 56.01 57.31 3h5t n LEU 269 Cb 0.40 -1.61 -0.12 0.00 -2.33 0.00 0.00 43.42 39.77 3h5t n LEU 269 CO 0.31 0.13 -0.52 0.35 -1.33 0.00 0.00 177.39 176.33 3h5t n THR 270 N 1.09 0.00 -3.76 -5.08 -2.24 -0.58 -4.97 114.28 98.73 3h5t n THR 270 Ca 0.04 -0.31 -0.12 0.00 -2.27 0.00 0.00 64.05 61.39 3h5t n THR 270 Cb 0.38 0.36 -0.08 0.00 -2.10 0.00 0.00 70.33 68.89 3h5t n THR 270 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h5t s ALA 271 N -2.98 -0.70 -0.10 6.98 0.00 -1.22 -1.71 121.76 122.03 3h5t s ALA 271 Ca -0.03 0.11 -0.01 0.00 0.00 0.00 0.00 51.96 52.03 3h5t s ALA 271 Cb 0.11 0.22 0.03 0.00 0.00 0.00 0.00 23.12 23.48 3h5t s ALA 271 CO 0.68 -0.35 -0.00 0.08 0.00 0.00 0.00 175.76 176.17 3h5t s VAL 272 N -2.06 0.50 -0.26 0.00 1.01 0.82 -1.67 120.40 118.75 3h5t s VAL 272 Ca -0.08 -0.05 -0.13 0.00 0.00 0.00 0.00 61.98 61.72 3h5t s VAL 272 Cb -0.03 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.62 3h5t s VAL 272 CO -0.00 0.20 0.28 -0.22 0.00 0.00 0.00 175.10 175.35 3h5t s LEU 273 N 1.91 4.07 0.01 3.92 0.20 -0.24 -2.14 118.68 126.42 3h5t s LEU 273 Ca 0.04 0.20 -0.02 0.00 0.69 0.00 0.00 54.13 55.04 3h5t s LEU 273 Cb -0.13 -2.28 -0.04 0.00 -0.43 0.00 0.00 46.19 43.31 3h5t s LEU 273 CO -0.06 -0.07 0.17 0.00 -0.29 0.00 0.00 176.35 176.10 3h5t h THR 275 N 2.66 0.00 -2.86 0.00 2.02 -1.64 -3.38 112.91 109.71 3h5t h THR 275 Ca -0.48 -0.76 -0.13 0.00 0.77 0.00 0.00 66.41 65.80 3h5t h THR 275 Cb 1.18 1.68 -0.24 0.00 -1.74 0.00 0.00 68.15 69.03 3h5t h THR 275 CO 0.70 0.00 -0.29 0.54 0.37 0.00 0.00 175.52 176.84 3h5t s VAL 276 N -3.18 0.00 0.32 3.16 0.11 -1.26 -4.55 120.40 115.00 3h5t s VAL 276 Ca 0.08 -0.01 0.10 0.00 -2.93 0.00 0.00 61.98 59.22 3h5t s VAL 276 Cb 0.09 -0.51 0.31 0.00 -1.53 0.00 0.00 36.38 34.74 3h5t s VAL 276 CO 0.66 -0.00 1.69 0.44 -3.33 0.00 0.00 175.10 174.55 3h5t h ASP 277 N 5.55 0.47 -0.74 3.54 3.32 -1.29 -0.14 116.42 127.13 3h5t h ASP 277 Ca -0.27 0.17 0.15 0.00 0.02 0.00 0.00 57.03 57.11 3h5t h ASP 277 Cb 1.18 0.12 -0.10 0.00 0.22 0.00 0.00 39.33 40.75 3h5t h ASP 277 CO 0.28 -0.04 0.24 0.00 -1.72 0.00 0.00 179.24 178.00 3h5t h ALA 278 N 1.78 1.01 -0.68 3.45 0.00 -1.97 0.81 119.26 123.66 3h5t h ALA 278 Ca 0.66 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.67 3h5t h ALA 278 Cb 1.37 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 19.29 3h5t h ALA 278 CO -0.56 -0.29 0.25 -0.07 0.00 0.00 0.00 179.25 178.59 3h5t h LEU 279 N 0.34 0.93 -0.96 0.00 3.38 -1.39 -2.11 115.31 115.50 3h5t h LEU 279 Ca 0.42 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 58.21 3h5t h LEU 279 Cb 0.68 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 3h5t h LEU 279 CO -0.46 0.84 0.32 0.00 0.09 0.00 0.00 178.44 179.23 3h5t h ALA 280 N 1.29 1.18 0.00 1.53 0.00 -0.80 -1.94 119.26 120.52 3h5t h ALA 280 Ca 0.23 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3h5t h ALA 280 Cb 0.22 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3h5t h ALA 280 CO -0.02 0.61 -0.29 0.74 0.00 0.00 0.00 179.25 180.29 3h5t h PHE 281 N 1.05 0.00 0.00 0.00 0.04 -0.64 -1.19 116.94 116.21 3h5t h PHE 281 Ca 0.25 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.91 3h5t h PHE 281 Cb 0.16 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.30 3h5t h PHE 281 CO 0.02 0.29 -0.50 0.78 -0.60 0.00 0.00 178.31 178.29 3h5t h GLY 282 N 1.69 0.00 1.87 -1.45 0.00 -0.75 -0.06 103.07 104.36 3h5t h GLY 282 Ca -0.00 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.13 3h5t h GLY 282 CO 0.04 0.00 -0.90 -2.08 0.00 0.00 0.00 176.54 173.60 3h5t h VAL 283 N 0.00 1.56 0.12 4.60 2.07 -0.60 -2.05 116.25 121.95 3h5t h VAL 283 Ca -0.01 -2.82 -0.27 0.00 0.82 0.00 0.00 66.70 64.42 3h5t h VAL 283 Cb 1.06 2.57 0.03 0.00 -1.52 0.00 0.00 31.29 33.42 3h5t h VAL 283 CO 0.07 0.81 -1.15 -0.07 0.02 0.00 0.00 177.57 177.25 3h5t h LEU 284 N 0.06 0.81 -1.49 2.57 3.38 -1.00 -0.77 115.31 118.87 3h5t h LEU 284 Ca -0.03 -0.83 -0.05 0.00 0.09 0.00 0.00 57.88 57.05 3h5t h LEU 284 Cb 1.56 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 3h5t h LEU 284 CO 0.13 1.56 -0.25 -0.08 0.09 0.00 0.00 178.44 179.89 3h5t h GLU 285 N 0.17 0.00 0.03 1.13 4.81 -1.06 -1.17 114.58 118.49 3h5t h GLU 285 Ca -0.18 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.01 3h5t h GLU 285 Cb 1.84 0.00 0.01 0.00 0.63 0.00 0.00 28.75 31.22 3h5t h GLU 285 CO 0.22 0.25 -0.21 -0.92 -0.73 0.00 0.00 179.01 177.62 3h5t h TYR 286 N 0.00 0.15 -0.78 0.92 3.20 -1.31 -3.02 116.97 116.12 3h5t h TYR 286 Ca -0.00 -0.10 0.12 0.00 3.14 0.00 0.00 58.73 61.88 3h5t h TYR 286 Cb 0.53 -0.01 -0.08 0.00 1.54 0.00 0.00 36.73 38.71 3h5t h TYR 286 CO 0.00 1.06 0.40 -0.07 -1.64 0.00 0.00 178.16 177.90 3h5t h LEU 287 N -0.80 0.50 -1.69 2.82 3.38 -1.01 -0.98 115.31 117.52 3h5t h LEU 287 Ca -0.04 0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.04 3h5t h LEU 287 Cb 1.14 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 3h5t h LEU 287 CO 0.04 0.25 0.25 0.50 0.09 0.00 0.00 178.44 179.57 3h5t h LYS 288 N 0.62 0.39 0.00 1.13 3.64 -1.15 -0.93 116.57 120.28 3h5t h LYS 288 Ca 0.41 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 3h5t h LYS 288 Cb 0.50 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 3h5t h LYS 288 CO -0.32 0.26 0.00 0.66 -2.27 0.00 0.00 179.45 177.78 3h5t h SER 289 N 0.41 0.00 -0.18 4.20 4.64 -1.04 -3.02 113.55 118.57 3h5t h SER 289 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3h5t h SER 289 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 3h5t h SER 289 CO -0.03 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.26 3h5t n VAL 290 N -2.59 2.01 -0.25 0.95 0.24 -0.73 -4.97 118.33 112.98 3h5t n VAL 290 Ca 0.03 -1.89 0.00 0.00 -2.04 0.00 0.00 64.34 60.43 3h5t n VAL 290 Cb 0.33 -0.16 0.00 0.00 -1.47 0.00 0.00 33.84 32.54 3h5t n VAL 290 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h5t n GLY 291 N -0.72 2.40 3.97 7.63 0.00 -1.08 -5.02 105.19 112.38 3h5t n GLY 291 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 3h5t n GLY 291 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h5t s LYS 292 N -0.01 2.01 0.37 1.61 1.02 -0.43 -4.95 119.74 119.35 3h5t s LYS 292 Ca 0.00 -0.78 -0.07 0.00 0.02 0.00 0.00 55.97 55.15 3h5t s LYS 292 Cb 0.00 -2.32 0.03 0.00 -0.52 0.00 0.00 37.83 35.02 3h5t s LYS 292 CO 0.00 -1.22 0.60 -1.13 -0.92 0.00 0.00 175.35 172.67 3h5t n SER 293 N -2.75 -1.70 -4.09 2.83 3.41 -1.26 -3.12 113.62 106.94 3h5t n SER 293 Ca 0.11 -2.77 -0.23 0.00 -0.26 0.00 0.00 58.87 55.72 3h5t n SER 293 Cb 0.60 3.00 -0.15 0.00 -0.26 0.00 0.00 64.21 67.40 3h5t n SER 293 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h5t s ALA 294 N -2.51 1.21 0.00 7.33 0.00 -1.26 -2.54 121.76 123.99 3h5t s ALA 294 Ca 0.24 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.64 3h5t s ALA 294 Cb -0.02 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.73 3h5t s ALA 294 CO 0.17 0.25 0.00 -2.30 0.00 0.00 0.00 175.76 173.88 3h5t n PRO 295 N 3.00 0.00 0.00 0.00 -0.02 -1.25 -4.86 135.00 131.87 3h5t n PRO 295 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 3h5t n PRO 295 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.02 3h5t n PRO 295 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h5t n ALA 296 N -3.00 0.00 0.01 3.55 0.00 -1.26 -0.89 120.51 118.92 3h5t n ALA 296 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 3h5t n ALA 296 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 3h5t n ALA 296 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3h5t h ASP 297 N 0.00 0.00 -3.81 0.00 3.32 -1.88 -3.48 116.42 110.57 3h5t h ASP 297 Ca 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 3h5t h ASP 297 Cb 0.00 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 39.34 3h5t h ASP 297 CO 0.00 0.75 0.11 -0.22 -1.72 0.00 0.00 179.24 178.16 3h5t s LEU 298 N -5.92 -0.79 -0.18 1.55 1.98 -0.07 -4.92 118.68 110.33 3h5t s LEU 298 Ca -0.03 1.46 -0.12 0.00 -2.89 0.00 0.00 54.13 52.55 3h5t s LEU 298 Cb 0.08 2.45 -0.05 0.00 0.66 0.00 0.00 46.19 49.34 3h5t s LEU 298 CO 0.82 -0.25 0.22 -0.44 -1.89 0.00 0.00 176.35 174.81 3h5t s SER 299 N 0.62 6.33 0.05 3.68 0.01 -0.70 -3.88 113.70 119.81 3h5t s SER 299 Ca -0.02 0.37 0.03 0.00 1.31 0.00 0.00 55.95 57.64 3h5t s SER 299 Cb -0.05 -2.14 -0.03 0.00 0.21 0.00 0.00 66.02 64.01 3h5t s SER 299 CO -0.03 0.13 -0.09 -1.48 0.41 0.00 0.00 173.24 172.18 3h5t s LEU 300 N 0.44 2.27 0.15 2.44 0.05 -1.22 -0.12 118.68 122.70 3h5t s LEU 300 Ca 0.12 -0.58 0.09 0.00 0.05 0.00 0.00 54.13 53.81 3h5t s LEU 300 Cb -0.12 -0.25 -0.04 0.00 -2.05 0.00 0.00 46.19 43.72 3h5t s LEU 300 CO 0.01 -0.18 -0.19 -0.89 -0.55 0.00 0.00 176.35 174.55 3h5t s THR 301 N -1.42 1.83 0.08 5.48 2.01 -0.91 -4.45 115.64 118.26 3h5t s THR 301 Ca -0.07 -1.84 0.00 0.00 0.31 0.00 0.00 61.69 60.09 3h5t s THR 301 Cb -0.10 -1.80 -0.00 0.00 0.01 0.00 0.00 72.50 70.61 3h5t s THR 301 CO 0.01 -0.24 0.01 0.61 -0.69 0.00 0.00 174.62 174.32 3h5t n GLY 302 N 0.47 4.02 3.59 4.40 0.00 0.09 -1.92 105.19 115.83 3h5t n GLY 302 Ca -0.15 -2.08 -0.04 0.00 0.00 0.00 0.00 46.02 43.75 3h5t n GLY 302 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3h5t s PHE 303 N -1.58 -1.17 0.00 1.61 5.36 -1.26 -2.84 117.98 118.09 3h5t s PHE 303 Ca 0.02 2.14 0.00 0.00 -0.96 0.00 0.00 56.93 58.13 3h5t s PHE 303 Cb 0.00 0.68 0.00 0.00 -0.34 0.00 0.00 43.02 43.36 3h5t s PHE 303 CO 0.01 -0.59 0.00 -0.25 -1.46 0.00 0.00 175.22 172.93 3h5t n ASP 304 N 5.06 0.00 -0.26 6.13 8.00 0.59 -0.79 116.55 135.28 3h5t n ASP 304 Ca -0.14 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.36 3h5t n ASP 304 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 3h5t n ASP 304 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h5t n GLY 305 N 0.00 0.91 3.70 0.44 0.00 -1.20 -0.83 105.19 108.21 3h5t n GLY 305 Ca 0.00 -0.56 -0.31 0.00 0.00 0.00 0.00 46.02 45.16 3h5t n GLY 305 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h5t s THR 306 N -2.52 2.46 0.28 2.61 -4.23 -1.26 -4.71 115.64 108.27 3h5t s THR 306 Ca 0.00 0.15 0.02 0.00 -1.18 0.00 0.00 61.69 60.68 3h5t s THR 306 Cb 0.00 -2.33 0.27 0.00 1.34 0.00 0.00 72.50 71.78 3h5t s THR 306 CO 0.00 -0.20 1.75 -0.74 -0.54 0.00 0.00 174.62 174.90 3h5t h HIS 307 N -1.67 0.82 -0.43 3.99 2.76 -1.96 0.06 115.15 118.71 3h5t h HIS 307 Ca -0.44 0.04 -0.11 0.00 -2.20 0.00 0.00 60.37 57.65 3h5t h HIS 307 Cb 1.26 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 29.98 3h5t h HIS 307 CO 0.51 0.15 -0.18 0.52 -1.30 0.00 0.00 177.93 177.63 3h5t h MET 308 N 0.61 0.84 -0.18 5.26 2.07 -2.00 -2.14 114.93 119.39 3h5t h MET 308 Ca 0.51 -0.32 0.00 0.00 -2.07 0.00 0.00 59.70 57.82 3h5t h MET 308 Cb 0.80 -0.05 -0.01 0.00 -1.87 0.00 0.00 31.60 30.48 3h5t h MET 308 CO -0.40 0.95 0.11 0.00 1.07 0.00 0.00 176.91 178.65 3h5t h ALA 309 N 1.05 0.23 -0.03 6.32 0.00 -1.34 -2.49 119.26 123.00 3h5t h ALA 309 Ca 0.11 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3h5t h ALA 309 Cb 0.70 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3h5t h ALA 309 CO 0.05 -0.30 -0.26 -0.07 0.00 0.00 0.00 179.25 178.67 3h5t h LEU 310 N 0.23 0.05 -0.75 0.00 4.07 -1.26 -0.36 115.31 117.30 3h5t h LEU 310 Ca 0.07 -0.01 -0.12 0.00 0.08 0.00 0.00 57.88 57.89 3h5t h LEU 310 Cb -0.02 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 41.70 3h5t h LEU 310 CO -0.02 0.32 -0.38 0.00 -1.08 0.00 0.00 178.44 177.28 3h5t h ALA 311 N 1.69 0.92 -0.00 1.53 0.00 -1.06 -1.77 119.26 120.57 3h5t h ALA 311 Ca 0.01 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3h5t h ALA 311 Cb 0.50 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3h5t h ALA 311 CO 0.04 0.63 -0.18 -2.13 0.00 0.00 0.00 179.25 177.60 3h5t n ARG 312 N -4.04 0.35 -3.57 0.00 0.00 -0.97 -4.92 116.66 103.51 3h5t n ARG 312 Ca -0.01 -0.13 -0.20 0.00 -0.00 0.00 0.00 57.85 57.51 3h5t n ARG 312 Cb 0.49 -1.50 0.05 0.00 0.00 0.00 0.00 32.46 31.51 3h5t n ARG 312 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 3h5t n ASP 313 N -1.21 -2.61 -4.76 6.15 2.03 -0.54 -4.81 116.55 110.80 3h5t n ASP 313 Ca 0.10 -0.78 -0.40 0.00 0.52 0.00 0.00 54.79 54.24 3h5t n ASP 313 Cb 0.31 -4.42 -0.05 0.00 -0.72 0.00 0.00 41.12 36.24 3h5t n ASP 313 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3h5t s LEU 314 N -6.39 4.55 0.02 -2.67 2.96 -0.26 -0.59 118.68 116.30 3h5t s LEU 314 Ca 0.12 2.08 -0.30 0.00 -0.22 0.00 0.00 54.13 55.80 3h5t s LEU 314 Cb -0.03 -3.69 -0.06 0.00 0.50 0.00 0.00 46.19 42.92 3h5t s LEU 314 CO 0.79 -0.03 1.35 -0.89 -1.32 0.00 0.00 176.35 176.25 3h5t s THR 315 N -1.24 3.76 0.19 3.68 2.01 -1.26 -4.47 115.64 118.31 3h5t s THR 315 Ca 0.44 1.17 -0.23 0.00 0.31 0.00 0.00 61.69 63.39 3h5t s THR 315 Cb -0.28 -3.75 0.07 0.00 0.01 0.00 0.00 72.50 68.55 3h5t s THR 315 CO 0.35 0.02 0.97 0.28 -0.69 0.00 0.00 174.62 175.55 3h5t s THR 316 N 2.06 0.00 -0.30 -0.82 -1.32 -0.96 -0.73 115.64 113.57 3h5t s THR 316 Ca 0.62 -0.67 -0.11 0.00 -1.21 0.00 0.00 61.69 60.32 3h5t s THR 316 Cb -0.31 -2.47 -0.04 0.00 -1.51 0.00 0.00 72.50 68.18 3h5t s THR 316 CO 0.27 0.00 0.20 -0.69 -2.21 0.00 0.00 174.62 172.18 3h5t s VAL 317 N -2.72 5.19 -0.10 5.08 1.01 -1.13 -0.30 120.40 127.44 3h5t s VAL 317 Ca 0.17 -0.01 -0.27 0.00 0.00 0.00 0.00 61.98 61.86 3h5t s VAL 317 Cb -0.02 -3.54 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 3h5t s VAL 317 CO 0.05 0.16 0.90 -0.63 0.00 0.00 0.00 175.10 175.57 3h5t s ILE 318 N 1.73 4.88 -0.12 2.22 1.01 0.74 -0.30 121.20 131.35 3h5t s ILE 318 Ca 0.07 1.82 0.03 0.00 0.00 0.00 0.00 60.65 62.56 3h5t s ILE 318 Cb -0.16 -4.21 0.01 0.00 0.01 0.00 0.00 42.46 38.10 3h5t s ILE 318 CO 0.10 0.08 -0.23 -1.58 0.00 0.00 0.00 174.94 173.32 3h5t s GLN 319 N 1.65 3.00 -1.18 2.79 0.74 -0.01 -1.76 119.66 124.88 3h5t s GLN 319 Ca 0.44 -0.85 -0.20 0.00 0.05 0.00 0.00 55.36 54.80 3h5t s GLN 319 Cb -0.18 -2.35 -0.03 0.00 1.10 0.00 0.00 33.01 31.54 3h5t s GLN 319 CO 0.18 0.07 1.91 -0.35 -0.55 0.00 0.00 175.29 176.55 3h5t n PRO 320 N 3.84 2.27 0.02 1.67 -0.04 -1.26 -4.77 135.00 136.72 3h5t n PRO 320 Ca -0.20 -2.63 -0.01 0.00 -0.04 0.00 0.00 63.50 60.63 3h5t n PRO 320 Cb 0.52 -3.44 0.27 0.00 -0.04 0.00 0.00 33.50 30.81 3h5t n PRO 320 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 3h5t h ASN 321 N 8.14 0.46 -0.28 3.54 2.35 -1.90 -1.27 115.58 126.62 3h5t h ASN 321 Ca 0.38 -0.11 -0.15 0.00 -0.55 0.00 0.00 56.30 55.87 3h5t h ASN 321 Cb 0.82 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.06 3h5t h ASN 321 CO 1.54 0.61 -0.39 0.50 -1.65 0.00 0.00 177.43 178.03 3h5t h LYS 322 N 0.45 0.83 -0.45 0.81 3.64 -1.84 -1.99 116.57 118.00 3h5t h LYS 322 Ca 0.09 -0.43 -0.10 0.00 -1.27 0.00 0.00 60.65 58.93 3h5t h LYS 322 Cb 0.46 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 3h5t h LYS 322 CO 0.03 1.07 -0.14 1.25 -2.27 0.00 0.00 179.45 179.39 3h5t h LEU 323 N 0.67 0.85 -1.14 5.20 5.85 -1.82 -0.34 115.31 124.58 3h5t h LEU 323 Ca 0.05 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 3h5t h LEU 323 Cb 0.96 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 3h5t h LEU 323 CO 0.09 0.99 0.40 0.50 -0.34 0.00 0.00 178.44 180.08 3h5t h LYS 324 N 0.76 1.00 -0.09 1.25 3.64 -1.03 0.75 116.57 122.84 3h5t h LYS 324 Ca 0.12 -0.10 -0.23 0.00 -1.27 0.00 0.00 60.65 59.17 3h5t h LYS 324 Cb 0.65 -0.20 0.01 0.00 -0.41 0.00 0.00 32.23 32.28 3h5t h LYS 324 CO 0.05 0.72 -0.85 0.78 -2.27 0.00 0.00 179.45 177.88 3h5t h GLY 325 N 1.05 0.75 0.90 5.01 0.00 -0.93 -1.80 103.07 108.06 3h5t h GLY 325 Ca 0.26 -1.14 -0.02 0.00 0.00 0.00 0.00 47.33 46.43 3h5t h GLY 325 CO -0.04 1.01 0.10 -2.75 0.00 0.00 0.00 176.54 174.85 3h5t h PHE 326 N 0.44 0.39 -0.45 5.60 3.57 -0.51 -0.82 116.94 125.16 3h5t h PHE 326 Ca -0.07 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.35 3h5t h PHE 326 Cb 1.47 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 40.08 3h5t h PHE 326 CO 0.08 0.41 0.07 0.87 -2.23 0.00 0.00 178.31 177.52 3h5t h LYS 327 N 0.26 0.69 0.87 1.11 1.57 -0.91 -0.68 116.57 119.48 3h5t h LYS 327 Ca 0.08 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 3h5t h LYS 327 Cb 0.19 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 32.41 3h5t h LYS 327 CO -0.01 0.66 -0.42 0.00 -0.57 0.00 0.00 179.45 179.11 3h5t h ALA 328 N 1.42 -1.16 -0.71 3.86 0.00 -0.88 0.12 119.26 121.90 3h5t h ALA 328 Ca 0.14 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.83 3h5t h ALA 328 Cb 0.31 0.45 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 3h5t h ALA 328 CO 0.00 -1.13 0.44 0.78 0.00 0.00 0.00 179.25 179.34 3h5t h GLY 329 N -1.20 1.03 0.99 0.00 0.00 -1.08 -0.94 103.07 101.87 3h5t h GLY 329 Ca -0.12 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 3h5t h GLY 329 CO 0.20 0.27 0.24 0.83 0.00 0.00 0.00 176.54 178.07 3h5t h GLU 330 N 0.86 0.51 -0.72 4.80 4.39 -1.05 -0.31 114.58 123.07 3h5t h GLU 330 Ca 0.29 -0.04 0.03 0.00 0.34 0.00 0.00 59.36 59.98 3h5t h GLU 330 Cb 0.04 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 28.53 3h5t h GLU 330 CO -0.12 0.37 0.45 1.15 -1.16 0.00 0.00 179.01 179.71 3h5t h THR 331 N 0.50 1.10 0.31 1.13 2.02 -0.34 -0.23 112.91 117.41 3h5t h THR 331 Ca 0.14 -0.30 -0.02 0.00 0.77 0.00 0.00 66.41 67.00 3h5t h THR 331 Cb -0.01 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.54 3h5t h THR 331 CO -0.03 0.16 -0.15 0.25 0.37 0.00 0.00 175.52 176.12 3h5t h LEU 332 N 0.88 -0.35 -0.67 2.58 5.85 -0.62 -1.14 115.31 121.83 3h5t h LEU 332 Ca 0.29 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 59.06 3h5t h LEU 332 Cb 0.02 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.08 3h5t h LEU 332 CO -0.11 -0.22 0.36 -0.07 -0.34 0.00 0.00 178.44 178.06 3h5t h LEU 333 N -0.46 0.52 -1.44 2.25 3.38 -0.74 -0.22 115.31 118.60 3h5t h LEU 333 Ca -0.04 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3h5t h LEU 333 Cb 0.35 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3h5t h LEU 333 CO 0.07 0.33 0.03 0.11 0.09 0.00 0.00 178.44 179.07 3h5t h LYS 334 N 0.66 0.40 0.02 1.13 1.57 -0.88 -0.14 116.57 119.32 3h5t h LYS 334 Ca 0.31 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 59.02 3h5t h LYS 334 Cb 0.22 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3h5t h LYS 334 CO -0.20 0.40 -0.01 0.52 -0.57 0.00 0.00 179.45 179.59 3h5t h MET 335 N 0.39 -0.03 0.00 3.15 2.86 0.20 1.18 114.93 122.68 3h5t h MET 335 Ca 0.09 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.71 3h5t h MET 335 Cb 0.21 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.88 3h5t h MET 335 CO 0.00 0.23 -0.13 0.82 1.06 0.00 0.00 176.91 178.90 3h5t h ILE 336 N -0.29 0.96 -0.46 -1.22 2.04 -0.81 -1.00 117.51 116.72 3h5t h ILE 336 Ca -0.00 -0.45 -0.07 0.00 1.00 0.00 0.00 64.86 65.34 3h5t h ILE 336 Cb 0.28 1.25 -0.04 0.00 -0.74 0.00 0.00 36.82 37.56 3h5t h ILE 336 CO 0.00 0.12 0.09 -0.67 0.00 0.00 0.00 178.15 177.70 3h5t n ASP 337 N -4.20 4.17 -2.30 1.72 4.64 -0.10 -4.89 116.55 115.59 3h5t n ASP 337 Ca -0.02 -2.74 -0.14 0.00 -1.38 0.00 0.00 54.79 50.50 3h5t n ASP 337 Cb 0.20 -0.65 -0.01 0.00 -1.04 0.00 0.00 41.12 39.62 3h5t n ASP 337 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 3h5t n LYS 338 N 0.23 -1.99 -2.79 -0.67 4.76 -0.38 -4.97 118.16 112.35 3h5t n LYS 338 Ca 0.24 0.72 -0.24 0.00 -2.87 0.00 0.00 58.31 56.16 3h5t n LYS 338 Cb 0.99 -5.29 0.02 0.00 -1.84 0.00 0.00 35.03 28.92 3h5t n LYS 338 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3h5t s GLU 339 N -4.79 2.98 0.19 1.97 0.41 0.40 -5.00 118.70 114.86 3h5t s GLU 339 Ca 0.00 -0.37 -0.28 0.00 -0.41 0.00 0.00 54.97 53.91 3h5t s GLU 339 Cb 0.00 -2.47 -0.08 0.00 -1.78 0.00 0.00 34.13 29.80 3h5t s GLU 339 CO 0.00 -0.43 0.88 -0.47 -0.49 0.00 0.00 175.26 174.75 3h5t s TYR 340 N -2.70 3.92 0.04 1.61 5.04 -1.26 -4.38 117.35 119.63 3h5t s TYR 340 Ca 0.51 1.78 0.02 0.00 -2.44 0.00 0.00 57.07 56.94 3h5t s TYR 340 Cb -0.10 -2.91 -0.03 0.00 0.35 0.00 0.00 41.96 39.27 3h5t s TYR 340 CO 0.40 0.43 -0.07 0.14 -1.34 0.00 0.00 175.55 175.11 3h5t s VAL 341 N -0.93 0.49 0.20 3.14 -7.23 -1.26 -4.96 120.40 109.85 3h5t s VAL 341 Ca 0.40 -1.16 -0.30 0.00 -1.81 0.00 0.00 61.98 59.11 3h5t s VAL 341 Cb -0.24 -0.69 -0.08 0.00 0.56 0.00 0.00 36.38 35.93 3h5t s VAL 341 CO 0.29 -0.46 1.06 -1.61 -0.31 0.00 0.00 175.10 174.07 3h5t s GLU 342 N -1.84 4.65 0.32 4.82 2.02 -1.26 -4.94 118.70 122.47 3h5t s GLU 342 Ca -0.08 1.67 0.03 0.00 0.02 0.00 0.00 54.97 56.60 3h5t s GLU 342 Cb -0.08 -3.27 0.53 0.00 0.10 0.00 0.00 34.13 31.41 3h5t s GLU 342 CO -0.01 0.18 1.85 -1.35 0.02 0.00 0.00 175.26 175.96 3h5t h PRO 343 N 4.79 0.61 -3.74 0.39 0.11 -1.98 -3.42 132.00 128.75 3h5t h PRO 343 Ca -0.45 -0.13 -0.27 0.00 0.11 0.00 0.00 66.00 65.26 3h5t h PRO 343 Cb 1.21 -0.09 -0.30 0.00 0.11 0.00 0.00 31.00 31.93 3h5t h PRO 343 CO 0.71 0.62 -0.73 -1.21 -0.21 0.00 0.00 178.00 177.17 3h5t s GLU 344 N -5.00 0.07 -0.04 1.05 2.02 -1.26 -0.38 118.70 115.15 3h5t s GLU 344 Ca -0.08 0.03 0.02 0.00 0.02 0.00 0.00 54.97 54.96 3h5t s GLU 344 Cb 0.15 -0.16 0.01 0.00 0.10 0.00 0.00 34.13 34.24 3h5t s GLU 344 CO 0.78 -0.04 -0.07 0.08 0.02 0.00 0.00 175.26 176.02 3h5t s VAL 345 N 0.36 0.70 -0.29 2.63 1.01 -0.15 -4.98 120.40 119.68 3h5t s VAL 345 Ca -0.03 -0.25 -0.10 0.00 0.00 0.00 0.00 61.98 61.59 3h5t s VAL 345 Cb -0.05 -0.67 -0.03 0.00 0.00 0.00 0.00 36.38 35.63 3h5t s VAL 345 CO -0.01 0.25 0.16 -0.70 0.00 0.00 0.00 175.10 174.80 3h5t s GLU 346 N 0.62 3.62 0.16 2.72 2.12 -1.26 -2.17 118.70 124.51 3h5t s GLU 346 Ca -0.09 -0.53 -0.27 0.00 0.36 0.00 0.00 54.97 54.44 3h5t s GLU 346 Cb -0.13 -3.58 -0.08 0.00 0.26 0.00 0.00 34.13 30.61 3h5t s GLU 346 CO 0.01 -0.30 0.82 -0.51 -0.54 0.00 0.00 175.26 174.75 3h5t s LEU 347 N 1.68 4.58 0.25 2.70 1.43 -0.02 -4.91 118.68 124.39 3h5t s LEU 347 Ca 0.06 1.69 -0.15 0.00 -1.03 0.00 0.00 54.13 54.70 3h5t s LEU 347 Cb -0.16 -3.38 -0.08 0.00 0.03 0.00 0.00 46.19 42.60 3h5t s LEU 347 CO 0.08 0.15 0.67 -0.70 0.23 0.00 0.00 176.35 176.78 3h5t s GLU 348 N -0.89 4.03 0.40 1.70 2.12 -1.26 -4.03 118.70 120.77 3h5t s GLU 348 Ca 0.38 0.63 0.07 0.00 0.36 0.00 0.00 54.97 56.41 3h5t s GLU 348 Cb -0.23 -2.66 -0.08 0.00 0.26 0.00 0.00 34.13 31.42 3h5t s GLU 348 CO 0.27 0.29 0.02 0.95 -0.54 0.00 0.00 175.26 176.25 3h5t s THR 349 N -1.76 1.88 -0.08 -1.70 -4.23 -1.26 -4.44 115.64 104.06 3h5t s THR 349 Ca 0.48 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.93 3h5t s THR 349 Cb -0.13 -2.97 0.03 0.00 1.34 0.00 0.00 72.50 70.78 3h5t s THR 349 CO 0.19 -0.00 0.19 -0.94 -0.54 0.00 0.00 174.62 173.52 3h5t s SER 350 N -3.68 -0.19 0.44 3.99 1.04 -0.72 -4.97 113.70 109.61 3h5t s SER 350 Ca 0.35 0.40 -0.23 0.00 0.48 0.00 0.00 55.95 56.95 3h5t s SER 350 Cb 0.10 0.33 -0.08 0.00 0.10 0.00 0.00 66.02 66.47 3h5t s SER 350 CO 0.18 -0.12 1.12 0.12 0.98 0.00 0.00 173.24 175.52 3h5t s PHE 351 N 0.75 3.01 -0.45 5.02 5.36 -1.26 -0.19 117.98 130.22 3h5t s PHE 351 Ca -0.05 1.57 0.04 0.00 -0.96 0.00 0.00 56.93 57.53 3h5t s PHE 351 Cb -0.07 -3.29 0.12 0.00 -0.34 0.00 0.00 43.02 39.44 3h5t s PHE 351 CO -0.04 -1.20 0.19 -1.58 -1.46 0.00 0.00 175.22 171.13 3h5t s HIS 352 N -1.60 3.26 0.29 10.12 5.65 0.59 -4.84 115.29 128.77 3h5t s HIS 352 Ca 0.62 -3.04 0.11 0.00 0.25 0.00 0.00 55.06 53.00 3h5t s HIS 352 Cb -0.26 -2.77 0.93 0.00 -1.18 0.00 0.00 32.58 29.30 3h5t s HIS 352 CO 0.32 -0.81 1.33 -2.30 -0.65 0.00 0.00 174.74 172.63 3h5t n PRO 353 N 3.54 -0.06 0.00 2.88 -0.02 -1.26 -2.26 135.00 137.83 3h5t n PRO 353 Ca 0.05 1.21 0.00 0.00 -2.02 0.00 0.00 63.50 62.74 3h5t n PRO 353 Cb 0.36 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 3h5t n PRO 353 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h5t n GLY 354 N -1.31 0.90 2.70 -1.23 0.00 -1.26 -4.46 105.19 100.53 3h5t n GLY 354 Ca 0.27 -0.81 -0.06 0.00 0.00 0.00 0.00 46.02 45.42 3h5t n GLY 354 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h5t n SER 355 N -3.13 2.05 -1.82 1.61 3.41 0.25 -4.78 113.62 111.21 3h5t n SER 355 Ca 0.00 -2.42 -0.04 0.00 -0.26 0.00 0.00 58.87 56.15 3h5t n SER 355 Cb 0.00 -0.47 0.07 0.00 -0.26 0.00 0.00 64.21 63.55 3h5t n SER 355 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3h5t n THR 356 N -0.50 1.49 0.00 6.66 -2.24 -1.26 -4.43 114.28 114.00 3h5t n THR 356 Ca 0.13 -2.86 0.00 0.00 -2.27 0.00 0.00 64.05 59.05 3h5t n THR 356 Cb 0.82 0.27 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 3h5t n THR 356 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 3h5t n VAL 357 N -0.48 0.00 -0.46 2.28 3.14 -1.26 -3.37 118.33 118.18 3h5t n VAL 357 Ca 0.19 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.57 3h5t n VAL 357 Cb 0.90 -0.01 0.00 0.00 -1.06 0.00 0.00 33.84 33.68 3h5t n VAL 357 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37