#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y1x n THR 11 N 0.00 0.00 -4.40 3.45 -2.24 -1.26 -0.43 114.28 109.40 1y1x n THR 11 Ca 0.00 -0.23 -0.25 0.00 -2.27 0.00 0.00 64.05 61.30 1y1x n THR 11 Cb 0.00 1.04 -0.13 0.00 -2.10 0.00 0.00 70.33 69.14 1y1x n THR 11 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1y1x s SER 12 N -2.12 2.58 -0.00 3.42 0.01 -1.26 -4.75 113.70 111.57 1y1x s SER 12 Ca 0.07 -0.64 -0.19 0.00 1.31 0.00 0.00 55.95 56.50 1y1x s SER 12 Cb 0.10 -0.16 -0.06 0.00 0.21 0.00 0.00 66.02 66.11 1y1x s SER 12 CO 0.50 0.10 0.53 -0.89 0.41 0.00 0.00 173.24 173.89 1y1x s THR 13 N -1.05 4.94 0.64 1.44 2.01 -1.26 -3.29 115.64 119.07 1y1x s THR 13 Ca 0.07 1.11 -0.09 0.00 0.31 0.00 0.00 61.69 63.08 1y1x s THR 13 Cb -0.10 -3.86 -0.00 0.00 0.01 0.00 0.00 72.50 68.55 1y1x s THR 13 CO 0.04 0.47 1.01 -0.83 -0.69 0.00 0.00 174.62 174.61 1y1x s GLY 14 N -0.46 1.62 0.59 4.40 0.00 0.37 -4.90 107.32 108.94 1y1x s GLY 14 Ca 0.28 -0.40 0.38 0.00 0.00 0.00 0.00 44.72 44.98 1y1x s GLY 14 CO 0.16 -0.09 2.13 -0.39 0.00 0.00 0.00 173.10 174.91 1y1x h VAL 15 N -0.40 0.01 -0.06 1.40 -1.51 -1.74 -2.75 116.25 111.20 1y1x h VAL 15 Ca -0.45 -0.33 0.00 0.00 -1.23 0.00 0.00 66.70 64.69 1y1x h VAL 15 Cb 1.24 1.33 0.00 0.00 -2.13 0.00 0.00 31.29 31.73 1y1x h VAL 15 CO 0.63 0.00 0.00 -1.22 -1.23 0.00 0.00 177.57 175.75 1y1x n TYR 16 N -3.09 0.04 -1.74 5.19 4.01 0.83 -4.76 117.16 117.64 1y1x n TYR 16 Ca -0.01 -0.02 -0.40 0.00 -0.16 0.00 0.00 57.90 57.31 1y1x n TYR 16 Cb 0.22 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.27 1y1x n TYR 16 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1y1x n ALA 17 N 1.35 1.69 -0.32 -0.72 0.00 -1.04 -4.79 120.51 116.68 1y1x n ALA 17 Ca 0.15 0.22 0.09 0.00 0.00 0.00 0.00 53.44 53.90 1y1x n ALA 17 Cb 0.60 -2.34 0.20 0.00 0.00 0.00 0.00 19.45 17.91 1y1x n ALA 17 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1y1x h PRO 18 N 2.03 0.03 -0.27 0.00 0.11 -1.89 -2.30 132.00 129.71 1y1x h PRO 18 Ca -0.50 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1y1x h PRO 18 Cb 1.29 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1y1x h PRO 18 CO 0.60 0.02 0.00 -1.13 -0.21 0.00 0.00 178.00 177.28 1y1x n SER 19 N -5.48 2.69 -4.69 -2.05 3.41 -1.26 -4.74 113.62 101.50 1y1x n SER 19 Ca 0.18 -1.88 -0.44 0.00 -0.26 0.00 0.00 58.87 56.46 1y1x n SER 19 Cb 0.59 -0.18 -0.03 0.00 -0.26 0.00 0.00 64.21 64.33 1y1x n SER 19 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1y1x n ALA 20 N 0.53 1.75 -1.66 7.33 0.00 -0.87 -4.88 120.51 122.71 1y1x n ALA 20 Ca 0.10 0.42 0.06 0.00 0.00 0.00 0.00 53.44 54.02 1y1x n ALA 20 Cb 0.39 -2.38 0.18 0.00 0.00 0.00 0.00 19.45 17.64 1y1x n ALA 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1y1x n ARG 21 N 3.04 1.35 -0.19 0.00 1.74 -1.26 -4.66 116.66 116.68 1y1x n ARG 21 Ca 0.14 -3.05 0.02 0.00 -0.77 0.00 0.00 57.85 54.20 1y1x n ARG 21 Cb 0.32 -1.40 0.29 0.00 -1.02 0.00 0.00 32.46 30.64 1y1x n ARG 21 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1y1x h HIS 22 N 0.89 0.87 -3.32 -1.55 3.86 -1.90 -3.43 115.15 110.58 1y1x h HIS 22 Ca -0.03 0.02 -0.39 0.00 -1.16 0.00 0.00 60.37 58.81 1y1x h HIS 22 Cb 1.11 -0.29 -0.16 0.00 1.06 0.00 0.00 27.41 29.13 1y1x h HIS 22 CO 0.61 0.52 -0.73 -1.64 0.86 0.00 0.00 177.93 177.55 1y1x s MET 23 N -5.78 1.12 -0.16 2.45 -1.94 -1.26 -5.13 119.30 108.59 1y1x s MET 23 Ca -0.10 -1.42 -0.08 0.00 -1.71 0.00 0.00 55.69 52.38 1y1x s MET 23 Cb 0.18 -0.85 -0.04 0.00 2.01 0.00 0.00 34.83 36.13 1y1x s MET 23 CO 0.78 0.14 0.11 1.21 -0.01 0.00 0.00 175.02 177.25 1y1x s ASN 24 N -2.96 6.10 0.59 3.03 3.84 -1.26 -4.99 114.94 119.28 1y1x s ASN 24 Ca 0.16 0.28 0.29 0.00 0.21 0.00 0.00 52.86 53.80 1y1x s ASN 24 Cb -0.01 -2.02 1.42 0.00 -0.55 0.00 0.00 41.25 40.10 1y1x s ASN 24 CO 0.03 0.27 1.82 0.44 -2.79 0.00 0.00 177.10 176.87 1y1x h ASP 25 N 5.97 0.00 0.59 -4.21 5.19 -2.00 -0.64 116.42 121.33 1y1x h ASP 25 Ca -0.46 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.95 1y1x h ASP 25 Cb 1.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.69 1y1x h ASP 25 CO 0.67 0.00 -0.13 -0.46 -3.12 0.00 0.00 179.24 176.20 1y1x n ASN 26 N -3.71 0.28 -4.76 6.45 0.23 -1.26 -4.93 115.26 107.56 1y1x n ASN 26 Ca 0.12 -0.16 -0.35 0.00 -0.53 0.00 0.00 54.58 53.66 1y1x n ASN 26 Cb 0.82 -0.17 0.03 0.00 -2.08 0.00 0.00 39.78 38.39 1y1x n ASN 26 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 1y1x s GLN 27 N -2.72 2.95 0.51 -3.83 -0.21 -0.25 -4.96 119.66 111.14 1y1x s GLN 27 Ca 0.22 1.64 -0.22 0.00 0.02 0.00 0.00 55.36 57.01 1y1x s GLN 27 Cb 0.19 -1.95 -0.07 0.00 1.00 0.00 0.00 33.01 32.19 1y1x s GLN 27 CO 0.53 -1.18 1.20 0.39 -2.12 0.00 0.00 175.29 174.11 1y1x n GLU 28 N -1.85 1.53 -0.27 2.91 -0.58 -1.26 -4.82 120.64 116.31 1y1x n GLU 28 Ca 0.12 0.56 0.00 0.00 -0.42 0.00 0.00 57.16 57.42 1y1x n GLU 28 Cb 0.51 -2.36 0.21 0.00 -0.57 0.00 0.00 31.44 29.23 1y1x n GLU 28 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1y1x h LEU 29 N 1.42 0.95 -1.06 -4.62 5.85 -1.97 -1.85 115.31 114.02 1y1x h LEU 29 Ca -0.49 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.13 1y1x h LEU 29 Cb 1.32 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 1y1x h LEU 29 CO 0.56 0.68 -0.22 -0.03 -0.34 0.00 0.00 178.44 179.10 1y1x h MET 30 N 1.12 0.41 -0.15 1.25 4.05 -1.98 1.00 114.93 120.62 1y1x h MET 30 Ca 0.31 -0.14 0.00 0.00 -0.28 0.00 0.00 59.70 59.60 1y1x h MET 30 Cb -0.10 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.66 1y1x h MET 30 CO -0.07 0.61 0.09 0.93 0.23 0.00 0.00 176.91 178.69 1y1x h GLU 31 N 0.37 0.18 -0.62 0.39 5.08 -1.68 -1.17 114.58 117.13 1y1x h GLU 31 Ca 0.06 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1y1x h GLU 31 Cb 0.59 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.76 1y1x h GLU 31 CO 0.04 0.12 0.40 -1.49 -1.00 0.00 0.00 179.01 177.08 1y1x h TRP 32 N 0.19 0.74 -0.20 4.33 4.06 -1.32 -1.59 115.95 122.16 1y1x h TRP 32 Ca 0.06 0.02 0.01 0.00 2.06 0.00 0.00 58.89 61.04 1y1x h TRP 32 Cb -0.01 -0.25 -0.02 0.00 -1.00 0.00 0.00 29.16 27.88 1y1x h TRP 32 CO -0.07 0.45 0.09 0.35 -3.56 0.00 0.00 178.44 175.69 1y1x h PHE 33 N 0.79 0.16 0.00 0.49 3.57 -0.57 -2.04 116.94 119.34 1y1x h PHE 33 Ca 0.24 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.66 1y1x h PHE 33 Cb -0.03 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 1y1x h PHE 33 CO -0.04 0.09 -0.42 0.00 -2.23 0.00 0.00 178.31 175.71 1y1x h ARG 34 N 0.20 0.00 -0.23 1.11 3.08 -1.08 0.27 114.38 117.73 1y1x h ARG 34 Ca 0.08 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.04 1y1x h ARG 34 Cb 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1y1x h ARG 34 CO -0.07 0.42 -0.26 0.00 -1.07 0.00 0.00 179.97 179.00 1y1x h ALA 35 N 1.58 1.14 0.07 0.04 0.00 -0.85 -3.16 119.26 118.07 1y1x h ALA 35 Ca -0.00 -0.34 -0.30 0.00 0.00 0.00 0.00 54.91 54.27 1y1x h ALA 35 Cb 0.78 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1y1x h ALA 35 CO 0.05 0.54 -1.61 0.28 0.00 0.00 0.00 179.25 178.52 1y1x h VAL 36 N 0.38 1.02 -1.08 0.00 2.07 -0.88 -3.41 116.25 114.36 1y1x h VAL 36 Ca 0.06 -2.76 -0.73 0.00 0.82 0.00 0.00 66.70 64.09 1y1x h VAL 36 Cb 0.66 2.61 -0.12 0.00 -1.52 0.00 0.00 31.29 32.93 1y1x h VAL 36 CO 0.05 0.74 2.23 -0.67 0.02 0.00 0.00 177.57 179.93 1y1x n ASP 37 N -3.31 4.76 0.22 0.57 2.03 0.90 -4.70 116.55 117.02 1y1x n ASP 37 Ca -0.17 -2.98 0.15 0.00 0.52 0.00 0.00 54.79 52.30 1y1x n ASP 37 Cb 1.04 -1.59 0.53 0.00 -0.72 0.00 0.00 41.12 40.38 1y1x n ASP 37 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1y1x h THR 38 N 4.27 0.00 -0.02 5.18 1.35 -1.80 -1.78 112.91 120.12 1y1x h THR 38 Ca 0.44 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 1y1x h THR 38 Cb 0.72 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 1y1x h THR 38 CO 1.60 0.00 -0.08 -0.90 -0.25 0.00 0.00 175.52 175.89 1y1x n ASP 39 N -2.84 1.76 -1.54 5.36 5.75 -1.26 -4.96 116.55 118.82 1y1x n ASP 39 Ca 0.02 -1.49 -0.15 0.00 -0.01 0.00 0.00 54.79 53.15 1y1x n ASP 39 Cb 0.34 0.06 -0.03 0.00 -1.03 0.00 0.00 41.12 40.45 1y1x n ASP 39 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1y1x n GLY 40 N 1.26 0.43 0.13 6.12 0.00 -0.67 -4.89 105.19 107.57 1y1x n GLY 40 Ca 0.16 -0.26 0.13 0.00 0.00 0.00 0.00 46.02 46.05 1y1x n GLY 40 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1y1x h SER 41 N 0.00 0.00 0.00 1.61 4.64 -1.93 -3.47 113.55 114.40 1y1x h SER 41 Ca -0.35 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1y1x h SER 41 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1y1x h SER 41 CO 0.44 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 177.02 1y1x n GLY 42 N 1.25 0.75 3.16 -0.77 0.00 -1.26 -5.06 105.19 103.26 1y1x n GLY 42 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 1y1x n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y1x s ALA 43 N -2.41 -0.58 -0.15 4.61 0.00 -1.26 -4.42 121.76 117.56 1y1x s ALA 43 Ca 0.00 0.34 -0.23 0.00 0.00 0.00 0.00 51.96 52.07 1y1x s ALA 43 Cb 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.98 1y1x s ALA 43 CO 0.00 -0.19 0.70 0.42 0.00 0.00 0.00 175.76 176.70 1y1x s ILE 44 N -0.74 4.99 0.58 0.00 1.01 0.16 -4.80 121.20 122.41 1y1x s ILE 44 Ca -0.08 1.39 -0.04 0.00 0.00 0.00 0.00 60.65 61.91 1y1x s ILE 44 Cb -0.05 -4.03 0.02 0.00 0.01 0.00 0.00 42.46 38.42 1y1x s ILE 44 CO 0.02 0.14 0.86 -0.94 0.00 0.00 0.00 174.94 175.02 1y1x s SER 45 N 1.04 5.43 0.14 3.58 1.04 -1.26 -0.50 113.70 123.17 1y1x s SER 45 Ca 0.34 0.48 -0.26 0.00 0.48 0.00 0.00 55.95 56.99 1y1x s SER 45 Cb -0.17 -1.43 -0.01 0.00 0.10 0.00 0.00 66.02 64.52 1y1x s SER 45 CO 0.13 -1.12 1.60 0.58 0.98 0.00 0.00 173.24 175.41 1y1x h VAL 46 N -0.12 0.22 -0.89 5.02 2.07 -1.95 -0.30 116.25 120.29 1y1x h VAL 46 Ca -0.45 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.17 1y1x h VAL 46 Cb 1.27 0.22 -0.08 0.00 -1.52 0.00 0.00 31.29 31.19 1y1x h VAL 46 CO 0.59 0.00 0.53 -0.65 0.02 0.00 0.00 177.57 178.06 1y1x h PRO 47 N -0.38 0.86 -0.53 1.57 0.11 -1.98 0.21 132.00 131.86 1y1x h PRO 47 Ca 0.12 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.17 1y1x h PRO 47 Cb 0.57 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 31.46 1y1x h PRO 47 CO -0.44 0.57 0.33 0.93 -0.21 0.00 0.00 178.00 179.19 1y1x h GLU 48 N 0.89 0.70 -0.43 1.05 5.08 -1.82 -0.95 114.58 119.10 1y1x h GLU 48 Ca 0.43 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.60 1y1x h GLU 48 Cb 0.37 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1y1x h GLU 48 CO -0.24 0.49 -0.26 1.25 -1.00 0.00 0.00 179.01 179.25 1y1x h LEU 49 N 0.71 0.94 -0.36 1.33 5.85 -0.62 -2.83 115.31 120.34 1y1x h LEU 49 Ca 0.19 -0.37 0.06 0.00 0.84 0.00 0.00 57.88 58.60 1y1x h LEU 49 Cb -0.05 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.67 1y1x h LEU 49 CO -0.04 1.14 0.03 -1.13 -0.34 0.00 0.00 178.44 178.11 1y1x h ASN 50 N 0.78 -0.07 -0.87 1.25 -0.73 -0.40 -2.19 115.58 113.36 1y1x h ASN 50 Ca 0.09 0.07 0.04 0.00 1.87 0.00 0.00 56.30 58.38 1y1x h ASN 50 Cb 0.82 0.11 -0.05 0.00 0.27 0.00 0.00 38.32 39.47 1y1x h ASN 50 CO 0.07 0.00 0.57 0.00 -0.37 0.00 0.00 177.43 177.70 1y1x h ALA 51 N 1.29 1.49 -0.38 1.57 0.00 -1.02 -1.94 119.26 120.27 1y1x h ALA 51 Ca 0.17 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1y1x h ALA 51 Cb 0.22 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1y1x h ALA 51 CO -0.26 0.41 -0.14 0.00 0.00 0.00 0.00 179.25 179.27 1y1x h ALA 52 N 1.51 1.06 0.00 0.00 0.00 -1.18 -3.09 119.26 117.56 1y1x h ALA 52 Ca 0.35 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1y1x h ALA 52 Cb 0.08 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1y1x h ALA 52 CO -0.11 0.57 -0.34 -0.07 0.00 0.00 0.00 179.25 179.30 1y1x h LEU 53 N 0.61 0.00-10.20 0.00 3.38 -1.05 0.25 115.31 108.29 1y1x h LEU 53 Ca 0.10 -0.02 -0.48 0.00 0.09 0.00 0.00 57.88 57.58 1y1x h LEU 53 Cb 0.58 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.35 1y1x h LEU 53 CO 0.04 0.01 0.36 -0.44 0.09 0.00 0.00 178.44 178.50 1y1x s SER 54 N -5.58 6.59 0.21 -0.43 0.01 -0.76 -4.24 113.70 109.49 1y1x s SER 54 Ca 0.05 1.53 0.10 0.00 1.31 0.00 0.00 55.95 58.94 1y1x s SER 54 Cb 0.08 -2.49 -0.04 0.00 0.21 0.00 0.00 66.02 63.77 1y1x s SER 54 CO 0.70 -0.60 -0.12 -0.44 0.41 0.00 0.00 173.24 173.20 1y1x s SER 55 N -3.16 4.07 -0.25 2.44 0.01 -0.76 -0.47 113.70 115.57 1y1x s SER 55 Ca 0.58 -0.70 -0.39 0.00 1.31 0.00 0.00 55.95 56.75 1y1x s SER 55 Cb -0.10 -0.60 -0.15 0.00 0.21 0.00 0.00 66.02 65.38 1y1x s SER 55 CO 0.33 0.08 1.77 0.00 0.41 0.00 0.00 173.24 175.83 1y1x n ALA 56 N -0.15 -0.02 -0.93 1.44 0.00 -1.21 -0.62 120.51 119.03 1y1x n ALA 56 Ca -0.10 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1y1x n ALA 56 Cb 0.57 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.75 1y1x n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y1x n GLY 57 N 4.23 0.85 2.61 0.00 0.00 0.43 -4.96 105.19 108.34 1y1x n GLY 57 Ca 0.26 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.99 1y1x n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y1x s VAL 58 N -3.52 0.69 0.35 1.61 1.01 0.21 -4.92 120.40 115.83 1y1x s VAL 58 Ca 0.00 -1.83 -0.28 0.00 0.00 0.00 0.00 61.98 59.88 1y1x s VAL 58 Cb 0.00 -1.50 -0.09 0.00 0.00 0.00 0.00 36.38 34.78 1y1x s VAL 58 CO 0.00 -0.87 1.24 -2.84 0.00 0.00 0.00 175.10 172.64 1y1x s PRO 59 N 1.05 4.26 -0.08 2.72 0.02 -1.26 -1.83 135.00 139.88 1y1x s PRO 59 Ca 0.15 2.06 -0.11 0.00 0.02 0.00 0.00 61.00 63.13 1y1x s PRO 59 Cb -0.22 -2.95 -0.05 0.00 0.02 0.00 0.00 34.50 31.31 1y1x s PRO 59 CO -0.08 -0.21 0.26 0.12 -0.33 0.00 0.00 177.00 176.75 1y1x s PHE 60 N -1.22 3.62 0.16 6.54 2.19 -1.26 -4.94 117.98 123.07 1y1x s PHE 60 Ca 0.51 0.70 -0.34 0.00 0.33 0.00 0.00 56.93 58.14 1y1x s PHE 60 Cb -0.36 -2.13 -0.14 0.00 -1.31 0.00 0.00 43.02 39.08 1y1x s PHE 60 CO 0.47 0.62 1.53 0.45 1.83 0.00 0.00 175.22 180.13 1y1x n SER 61 N 2.20 2.89 -0.09 6.13 2.88 -1.26 -4.92 113.62 121.45 1y1x n SER 61 Ca -0.17 1.09 -0.11 0.00 -1.33 0.00 0.00 58.87 58.36 1y1x n SER 61 Cb 0.53 -1.40 -0.04 0.00 -0.75 0.00 0.00 64.21 62.56 1y1x n SER 61 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1y1x h LEU 62 N 5.59 0.41 -0.84 2.46 5.85 -1.99 -1.10 115.31 125.70 1y1x h LEU 62 Ca -0.45 -0.24 0.06 0.00 0.84 0.00 0.00 57.88 58.08 1y1x h LEU 62 Cb 1.27 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 42.13 1y1x h LEU 62 CO 0.86 0.54 0.52 0.00 -0.34 0.00 0.00 178.44 180.03 1y1x h ALA 63 N 0.88 1.14 -0.52 1.25 0.00 -1.99 0.11 119.26 120.13 1y1x h ALA 63 Ca 0.08 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1y1x h ALA 63 Cb 0.30 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1y1x h ALA 63 CO 0.00 0.28 -0.11 1.15 0.00 0.00 0.00 179.25 180.57 1y1x h THR 64 N 0.96 1.27 -0.42 0.00 2.02 -1.91 -1.01 112.91 113.82 1y1x h THR 64 Ca 0.36 -1.25 0.03 0.00 0.77 0.00 0.00 66.41 66.32 1y1x h THR 64 Cb 0.14 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 1y1x h THR 64 CO -0.16 0.44 0.23 0.74 0.37 0.00 0.00 175.52 177.14 1y1x h THR 65 N 0.87 1.01 -0.48 3.16 2.02 -0.36 -1.39 112.91 117.73 1y1x h THR 65 Ca 0.14 -0.16 0.04 0.00 0.77 0.00 0.00 66.41 67.20 1y1x h THR 65 Cb 0.65 0.50 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 1y1x h THR 65 CO 0.05 0.09 0.23 -0.33 0.37 0.00 0.00 175.52 175.93 1y1x h GLU 66 N 0.47 0.45 -0.50 6.66 5.08 -0.50 -1.25 114.58 124.99 1y1x h GLU 66 Ca 0.17 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.43 1y1x h GLU 66 Cb 0.05 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1y1x h GLU 66 CO -0.10 0.30 0.02 -0.22 -1.00 0.00 0.00 179.01 178.00 1y1x h LYS 67 N 0.46 0.87 -0.22 2.33 3.64 -1.01 -0.70 116.57 121.93 1y1x h LYS 67 Ca 0.21 -0.27 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 1y1x h LYS 67 Cb 0.13 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1y1x h LYS 67 CO -0.16 0.90 0.10 1.25 -2.27 0.00 0.00 179.45 179.27 1y1x h LEU 68 N 0.73 0.29 -0.08 5.20 5.85 -1.01 -2.28 115.31 124.03 1y1x h LEU 68 Ca 0.14 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 1y1x h LEU 68 Cb 0.49 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 1y1x h LEU 68 CO 0.02 0.34 0.03 0.25 -0.34 0.00 0.00 178.44 178.75 1y1x h LEU 69 N 0.22 0.10 -0.87 2.25 6.46 -1.09 -2.99 115.31 119.40 1y1x h LEU 69 Ca 0.08 -0.15 0.15 0.00 -0.12 0.00 0.00 57.88 57.83 1y1x h LEU 69 Cb 0.13 -0.03 -0.09 0.00 -0.73 0.00 0.00 40.66 39.94 1y1x h LEU 69 CO -0.01 0.23 0.47 -0.74 -0.62 0.00 0.00 178.44 177.77 1y1x h HIS 70 N -0.03 0.82 -1.01 1.25 2.76 -1.10 -0.54 115.15 117.31 1y1x h HIS 70 Ca 0.03 0.03 0.25 0.00 -2.20 0.00 0.00 60.37 58.48 1y1x h HIS 70 Cb 0.15 -0.23 -0.09 0.00 1.55 0.00 0.00 27.41 28.79 1y1x h HIS 70 CO -0.02 0.21 0.65 0.52 -1.30 0.00 0.00 177.93 178.00 1y1x h MET 71 N 0.67 0.41 -0.01 5.26 2.86 -1.25 -2.76 114.93 120.11 1y1x h MET 71 Ca 0.47 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 58.09 1y1x h MET 71 Cb 0.65 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.21 1y1x h MET 71 CO -0.35 0.27 -0.36 0.66 1.06 0.00 0.00 176.91 178.19 1y1x n TYR 72 N -4.60 0.00 -2.19 -0.22 4.01 -0.56 -4.80 117.16 108.80 1y1x n TYR 72 Ca 0.24 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.56 1y1x n TYR 72 Cb 0.82 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.84 1y1x n TYR 72 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1y1x n ASP 73 N -0.40 4.31 0.00 7.72 2.03 -0.32 -4.78 116.55 125.12 1y1x n ASP 73 Ca 0.05 -2.86 -0.00 0.00 0.52 0.00 0.00 54.79 52.50 1y1x n ASP 73 Cb 0.28 -1.69 0.30 0.00 -0.72 0.00 0.00 41.12 39.29 1y1x n ASP 73 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1y1x h LYS 74 N 7.25 0.52 -0.67 -0.67 1.79 -1.87 -1.95 116.57 120.97 1y1x h LYS 74 Ca 0.47 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 58.83 1y1x h LYS 74 Cb 0.79 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.37 1y1x h LYS 74 CO 1.61 0.55 0.00 0.27 -1.08 0.00 0.00 179.45 180.80 1y1x n ASN 75 N -4.28 4.28 -3.57 0.86 6.94 -1.26 -4.97 115.26 113.26 1y1x n ASN 75 Ca 0.01 -2.28 -0.26 0.00 -0.02 0.00 0.00 54.58 52.03 1y1x n ASN 75 Cb 0.25 -0.53 0.04 0.00 -2.36 0.00 0.00 39.78 37.17 1y1x n ASN 75 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1y1x n HIS 76 N 1.23 -2.33 0.93 -2.53 8.25 -0.73 -4.87 115.22 115.17 1y1x n HIS 76 Ca 0.24 0.80 0.13 0.00 -0.26 0.00 0.00 57.72 58.62 1y1x n HIS 76 Cb 0.77 -4.24 0.34 0.00 1.12 0.00 0.00 29.99 27.98 1y1x n HIS 76 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1y1x n SER 77 N -2.74 0.40 0.00 0.41 3.41 -1.26 -4.95 113.62 108.89 1y1x n SER 77 Ca -0.01 0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1y1x n SER 77 Cb 0.56 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 1y1x n SER 77 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1y1x n GLY 78 N 1.47 1.24 3.21 5.00 0.00 -1.26 -5.02 105.19 109.84 1y1x n GLY 78 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 1y1x n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1y1x s GLU 79 N -0.54 1.02 -0.30 1.61 2.02 -1.26 -4.53 118.70 116.73 1y1x s GLU 79 Ca 0.00 -1.48 -0.09 0.00 0.02 0.00 0.00 54.97 53.42 1y1x s GLU 79 Cb 0.00 -0.18 -0.01 0.00 0.10 0.00 0.00 34.13 34.04 1y1x s GLU 79 CO 0.00 -0.13 0.14 0.42 0.02 0.00 0.00 175.26 175.71 1y1x s ILE 80 N -3.70 4.56 0.51 -1.63 -1.09 0.34 -4.85 121.20 115.33 1y1x s ILE 80 Ca 0.21 -0.36 -0.01 0.00 -2.23 0.00 0.00 60.65 58.26 1y1x s ILE 80 Cb 0.06 -3.29 0.01 0.00 -1.58 0.00 0.00 42.46 37.66 1y1x s ILE 80 CO 0.02 0.12 0.75 0.42 -1.23 0.00 0.00 174.94 175.02 1y1x s THR 81 N 1.62 3.50 0.41 2.92 -4.23 -1.26 0.41 115.64 119.00 1y1x s THR 81 Ca 0.05 -0.46 0.08 0.00 -1.18 0.00 0.00 61.69 60.18 1y1x s THR 81 Cb -0.17 -3.32 0.24 0.00 1.34 0.00 0.00 72.50 70.59 1y1x s THR 81 CO 0.06 -0.24 2.03 0.15 -0.54 0.00 0.00 174.62 176.07 1y1x h PHE 82 N 0.18 0.43 -0.54 3.99 3.57 -1.99 0.63 116.94 123.20 1y1x h PHE 82 Ca -0.45 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.05 1y1x h PHE 82 Cb 1.27 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.84 1y1x h PHE 82 CO 0.43 0.32 0.35 0.38 -2.23 0.00 0.00 178.31 177.56 1y1x h ASP 83 N 0.44 0.62 1.04 0.41 2.03 -1.97 -2.68 116.42 116.32 1y1x h ASP 83 Ca 0.11 -0.03 -0.05 0.00 -0.73 0.00 0.00 57.03 56.34 1y1x h ASP 83 Cb 0.06 -0.16 -0.01 0.00 -0.83 0.00 0.00 39.33 38.39 1y1x h ASP 83 CO -0.02 0.46 -0.23 -0.33 -1.03 0.00 0.00 179.24 178.10 1y1x h GLU 84 N 0.73 0.00 0.00 4.15 5.08 -1.36 -3.30 114.58 119.87 1y1x h GLU 84 Ca 0.20 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.48 1y1x h GLU 84 Cb -0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1y1x h GLU 84 CO -0.04 0.23 -0.37 0.35 -1.00 0.00 0.00 179.01 178.17 1y1x h PHE 85 N 0.00 0.00 -0.28 4.33 3.57 -0.60 -3.25 116.94 120.71 1y1x h PHE 85 Ca -0.00 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.56 1y1x h PHE 85 Cb 0.81 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.48 1y1x h PHE 85 CO 0.00 0.37 -0.14 -0.22 -2.23 0.00 0.00 178.31 176.09 1y1x h LYS 86 N 0.00 -0.10 0.00 1.11 3.64 -1.64 0.14 116.57 119.72 1y1x h LYS 86 Ca -0.00 0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.23 1y1x h LYS 86 Cb 0.67 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.50 1y1x h LYS 86 CO 0.05 -0.07 -0.72 -0.44 -2.27 0.00 0.00 179.45 176.00 1y1x h ASP 87 N -0.11 0.00 0.06 4.20 5.19 -1.83 -2.56 116.42 121.37 1y1x h ASP 87 Ca 0.15 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.56 1y1x h ASP 87 Cb 0.33 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.84 1y1x h ASP 87 CO -0.35 0.72 -0.03 0.25 -3.12 0.00 0.00 179.24 176.72 1y1x h LEU 88 N 0.00 -0.07 -0.23 1.55 5.85 -1.41 -1.95 115.31 119.06 1y1x h LEU 88 Ca -0.01 -0.22 0.06 0.00 0.84 0.00 0.00 57.88 58.55 1y1x h LEU 88 Cb 1.44 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 42.43 1y1x h LEU 88 CO 0.09 0.19 -0.21 -0.74 -0.34 0.00 0.00 178.44 177.43 1y1x h HIS 89 N -0.32 -0.54 -0.79 1.25 2.76 -0.77 0.12 115.15 116.86 1y1x h HIS 89 Ca -0.01 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.17 1y1x h HIS 89 Cb 0.28 0.27 -0.04 0.00 1.55 0.00 0.00 27.41 29.48 1y1x h HIS 89 CO 0.01 -0.28 0.39 0.45 -1.30 0.00 0.00 177.93 177.19 1y1x h HIS 90 N -0.21 1.13 -0.49 5.26 3.86 -1.45 0.47 115.15 123.71 1y1x h HIS 90 Ca 0.13 -0.05 -0.03 0.00 -1.16 0.00 0.00 60.37 59.27 1y1x h HIS 90 Cb 0.42 -0.35 -0.02 0.00 1.06 0.00 0.00 27.41 28.51 1y1x h HIS 90 CO -0.36 0.81 0.20 0.35 0.86 0.00 0.00 177.93 179.80 1y1x h PHE 91 N 1.11 0.74 -0.73 2.45 3.57 -0.95 -1.07 116.94 122.06 1y1x h PHE 91 Ca 0.27 -0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.67 1y1x h PHE 91 Cb 0.10 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.59 1y1x h PHE 91 CO 0.01 0.62 0.27 0.82 -2.23 0.00 0.00 178.31 177.79 1y1x h ILE 92 N 0.65 1.26 -0.75 1.41 2.04 -0.30 -1.08 117.51 120.74 1y1x h ILE 92 Ca 0.16 -0.84 -0.04 0.00 1.00 0.00 0.00 64.86 65.15 1y1x h ILE 92 Cb 0.18 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 1y1x h ILE 92 CO -0.01 0.33 0.32 -0.07 0.00 0.00 0.00 178.15 178.72 1y1x h LEU 93 N 1.06 0.99 -0.68 1.44 3.38 -0.57 -0.19 115.31 120.74 1y1x h LEU 93 Ca 0.24 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1y1x h LEU 93 Cb 0.25 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1y1x h LEU 93 CO -0.01 0.87 0.31 0.77 0.09 0.00 0.00 178.44 180.46 1y1x h SER 94 N 1.07 0.91 -0.50 -0.43 4.64 -0.84 -1.63 113.55 116.79 1y1x h SER 94 Ca 0.25 -0.15 -0.12 0.00 -0.47 0.00 0.00 61.79 61.30 1y1x h SER 94 Cb 0.16 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.00 1y1x h SER 94 CO -0.03 0.81 -0.17 0.24 -0.87 0.00 0.00 176.83 176.81 1y1x h MET 95 N 0.96 1.00 -0.68 4.77 2.86 -0.46 -0.55 114.93 122.84 1y1x h MET 95 Ca 0.23 -0.40 -0.00 0.00 -2.06 0.00 0.00 59.70 57.46 1y1x h MET 95 Cb 0.16 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 1y1x h MET 95 CO -0.03 1.08 0.41 0.00 1.06 0.00 0.00 176.91 179.44 1y1x h ARG 96 N 0.88 0.92 -0.06 1.72 3.08 -0.99 -0.49 114.38 119.44 1y1x h ARG 96 Ca 0.12 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 1y1x h ARG 96 Cb 0.75 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.60 1y1x h ARG 96 CO 0.06 0.66 -0.02 1.49 -1.07 0.00 0.00 179.97 181.08 1y1x h GLU 97 N 0.92 0.12 -0.74 0.04 4.81 -1.00 -1.14 114.58 117.58 1y1x h GLU 97 Ca 0.24 -0.05 0.10 0.00 -0.13 0.00 0.00 59.36 59.52 1y1x h GLU 97 Cb -0.03 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.28 1y1x h GLU 97 CO -0.05 0.49 0.38 0.78 -0.73 0.00 0.00 179.01 179.89 1y1x h GLY 98 N -0.26 1.13 0.74 1.92 0.00 -1.05 -1.79 103.07 103.75 1y1x h GLY 98 Ca 0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 1y1x h GLY 98 CO 0.01 0.06 -0.02 -2.75 0.00 0.00 0.00 176.54 173.84 1y1x h PHE 99 N 0.63 0.23 -0.01 5.60 3.04 -0.92 -2.63 116.94 122.89 1y1x h PHE 99 Ca 0.37 -0.05 -0.11 0.00 3.98 0.00 0.00 57.97 62.16 1y1x h PHE 99 Cb 0.40 -0.06 -0.02 0.00 2.56 0.00 0.00 35.95 38.83 1y1x h PHE 99 CO -0.10 0.49 -0.53 0.07 -2.02 0.00 0.00 178.31 176.22 1y1x h ARG 100 N -0.10 0.01 -0.38 1.11 0.11 -1.00 -0.23 114.38 113.91 1y1x h ARG 100 Ca 0.03 -0.01 -0.02 0.00 0.10 0.00 0.00 59.98 60.08 1y1x h ARG 100 Cb 0.41 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.47 1y1x h ARG 100 CO 0.01 0.54 0.15 -0.22 0.10 0.00 0.00 179.97 180.55 1y1x h LYS 101 N 0.01 0.53 0.00 0.08 3.64 -1.28 -3.24 116.57 116.31 1y1x h LYS 101 Ca -0.00 -0.07 -0.17 0.00 -1.27 0.00 0.00 60.65 59.14 1y1x h LYS 101 Cb 0.94 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.62 1y1x h LYS 101 CO 0.07 0.45 -1.58 0.54 -2.27 0.00 0.00 179.45 176.66 1y1x n ARG 102 N -4.39 0.63 -2.38 1.90 5.12 -0.76 -4.73 116.66 112.05 1y1x n ARG 102 Ca 0.02 0.14 -0.36 0.00 -1.93 0.00 0.00 57.85 55.73 1y1x n ARG 102 Cb 0.14 -1.74 -0.04 0.00 -1.16 0.00 0.00 32.46 29.66 1y1x n ARG 102 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1y1x s ASP 103 N -5.58 6.04 0.19 0.55 2.15 -0.17 -4.84 116.67 115.00 1y1x s ASP 103 Ca -0.04 -1.20 -0.07 0.00 0.43 0.00 0.00 52.55 51.66 1y1x s ASP 103 Cb 0.09 -2.57 0.10 0.00 -0.30 0.00 0.00 42.92 40.24 1y1x s ASP 103 CO 0.82 -1.93 1.59 0.28 -0.17 0.00 0.00 175.17 175.76 1y1x h SER 104 N 10.27 0.92 0.81 -0.34 0.02 -1.84 -3.12 113.55 120.28 1y1x h SER 104 Ca 0.17 -0.33 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 1y1x h SER 104 Cb 1.01 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.29 1y1x h SER 104 CO 1.35 1.09 -0.25 -1.54 -1.14 0.00 0.00 176.83 176.34 1y1x n SER 105 N -4.12 0.31 -1.47 3.07 3.41 -1.26 -4.94 113.62 108.62 1y1x n SER 105 Ca 0.00 0.17 -0.14 0.00 -0.26 0.00 0.00 58.87 58.64 1y1x n SER 105 Cb 0.44 -0.16 -0.02 0.00 -0.26 0.00 0.00 64.21 64.20 1y1x n SER 105 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1y1x n GLY 106 N 1.48 0.33 0.66 5.00 0.00 -1.18 -4.93 105.19 106.55 1y1x n GLY 106 Ca 0.06 -0.30 0.12 0.00 0.00 0.00 0.00 46.02 45.89 1y1x n GLY 106 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1y1x n ASP 107 N -0.61 1.99 -0.05 1.61 5.75 -1.26 -4.94 116.55 119.04 1y1x n ASP 107 Ca -0.16 -1.73 -0.01 0.00 -0.01 0.00 0.00 54.79 52.88 1y1x n ASP 107 Cb 0.58 -0.09 -0.00 0.00 -1.03 0.00 0.00 41.12 40.57 1y1x n ASP 107 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1y1x n GLY 108 N 1.21 0.44 3.28 6.12 0.00 -1.26 -5.02 105.19 109.96 1y1x n GLY 108 Ca 0.17 -0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 1y1x n GLY 108 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1y1x s ARG 109 N -0.71 1.11 -0.19 1.61 1.81 -1.26 -4.03 118.95 117.29 1y1x s ARG 109 Ca 0.00 -1.22 -0.05 0.00 -1.72 0.00 0.00 55.73 52.74 1y1x s ARG 109 Cb 0.00 -1.20 -0.03 0.00 -0.45 0.00 0.00 34.95 33.27 1y1x s ARG 109 CO 0.00 0.26 -0.00 -0.51 -0.68 0.00 0.00 175.30 174.37 1y1x s LEU 110 N -2.21 3.29 1.03 2.53 1.43 0.41 -4.73 118.68 120.43 1y1x s LEU 110 Ca 0.08 -0.17 -0.16 0.00 -1.03 0.00 0.00 54.13 52.85 1y1x s LEU 110 Cb -0.08 -1.83 0.21 0.00 0.03 0.00 0.00 46.19 44.53 1y1x s LEU 110 CO 0.04 0.09 1.22 1.51 0.23 0.00 0.00 176.35 179.45 1y1x s ASP 111 N 0.83 2.52 0.27 2.29 1.47 -1.26 -1.72 116.67 121.07 1y1x s ASP 111 Ca 0.00 0.51 -0.01 0.00 1.18 0.00 0.00 52.55 54.24 1y1x s ASP 111 Cb -0.14 -0.71 0.36 0.00 -0.34 0.00 0.00 42.92 42.09 1y1x s ASP 111 CO 0.02 -3.12 1.74 0.77 0.68 0.00 0.00 175.17 175.26 1y1x h SER 112 N -1.90 0.67 -0.07 2.11 4.64 -1.99 -1.15 113.55 115.86 1y1x h SER 112 Ca -0.45 -0.18 -0.11 0.00 -0.47 0.00 0.00 61.79 60.57 1y1x h SER 112 Cb 1.27 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 63.17 1y1x h SER 112 CO 0.41 0.80 -0.32 0.78 -0.87 0.00 0.00 176.83 177.63 1y1x h ASN 113 N 0.63 0.56 -0.82 4.97 2.35 -1.95 0.11 115.58 121.43 1y1x h ASN 113 Ca 0.11 -0.22 -0.03 0.00 -0.55 0.00 0.00 56.30 55.61 1y1x h ASN 113 Cb 0.53 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.71 1y1x h ASN 113 CO 0.03 0.85 0.39 -0.33 -1.65 0.00 0.00 177.43 176.71 1y1x h GLU 114 N 0.46 1.18 -0.36 0.81 5.08 -1.81 -0.73 114.58 119.21 1y1x h GLU 114 Ca 0.06 -0.18 -0.11 0.00 -1.00 0.00 0.00 59.36 58.13 1y1x h GLU 114 Cb 0.79 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1y1x h GLU 114 CO 0.06 0.91 -0.21 0.28 -1.00 0.00 0.00 179.01 179.05 1y1x h VAL 115 N 1.16 1.29 -0.97 3.13 2.07 -0.72 -1.50 116.25 120.71 1y1x h VAL 115 Ca 0.28 -1.35 0.06 0.00 0.82 0.00 0.00 66.70 66.51 1y1x h VAL 115 Cb 0.13 1.38 -0.06 0.00 -1.52 0.00 0.00 31.29 31.21 1y1x h VAL 115 CO -0.03 0.44 0.62 0.03 0.02 0.00 0.00 177.57 178.65 1y1x h ARG 116 N 0.56 1.11 -0.27 1.57 3.08 -0.71 -1.51 114.38 118.22 1y1x h ARG 116 Ca 0.08 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1y1x h ARG 116 Cb 0.77 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1y1x h ARG 116 CO 0.06 0.74 0.08 0.00 -1.07 0.00 0.00 179.97 179.78 1y1x h ALA 117 N 1.43 0.36 -0.64 0.04 0.00 -0.90 -1.26 119.26 118.29 1y1x h ALA 117 Ca 0.41 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1y1x h ALA 117 Cb 0.14 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1y1x h ALA 117 CO -0.16 -0.01 0.37 0.00 0.00 0.00 0.00 179.25 179.45 1y1x h ALA 118 N 0.91 1.44 -0.02 0.00 0.00 -0.93 -0.31 119.26 120.35 1y1x h ALA 118 Ca 0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1y1x h ALA 118 Cb 0.25 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1y1x h ALA 118 CO -0.00 0.48 -0.04 1.25 0.00 0.00 0.00 179.25 180.93 1y1x h LEU 119 N 0.89 0.06 -0.21 0.00 5.85 -1.13 -3.33 115.31 117.43 1y1x h LEU 119 Ca 0.23 -0.59 0.00 0.00 0.84 0.00 0.00 57.88 58.36 1y1x h LEU 119 Cb -0.00 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.01 1y1x h LEU 119 CO -0.04 0.64 0.00 -0.07 -0.34 0.00 0.00 178.44 178.63 1y1x h LEU 120 N -0.52 0.00 -2.16 2.25 3.38 -1.13 -3.26 115.31 113.87 1y1x h LEU 120 Ca -0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 1y1x h LEU 120 Cb 0.64 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1y1x h LEU 120 CO 0.01 0.00 0.29 0.28 0.09 0.00 0.00 178.44 179.10 1y1x h SER 121 N 0.00 0.00 0.14 -0.43 0.02 -1.16 -1.42 113.55 110.70 1y1x h SER 121 Ca 0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 1y1x h SER 121 Cb 0.80 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.33 1y1x h SER 121 CO 0.00 0.00 -0.36 0.77 -1.14 0.00 0.00 176.83 176.10 1y1x h SER 122 N 0.00 0.31 0.00 3.07 4.64 -1.77 -3.47 113.55 116.33 1y1x h SER 122 Ca 0.09 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1y1x h SER 122 Cb 0.66 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1y1x h SER 122 CO -0.00 0.65 0.00 0.61 -0.87 0.00 0.00 176.83 177.22 1y1x n GLY 123 N -0.27 0.36 3.69 -0.77 0.00 -0.53 -5.07 105.19 102.60 1y1x n GLY 123 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1y1x n GLY 123 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1y1x s TYR 124 N -2.00 3.53 -0.20 1.61 2.02 -1.26 -5.03 117.35 116.02 1y1x s TYR 124 Ca 0.00 1.44 -0.29 0.00 -0.37 0.00 0.00 57.07 57.85 1y1x s TYR 124 Cb 0.00 -3.04 0.00 0.00 -0.40 0.00 0.00 41.96 38.52 1y1x s TYR 124 CO 0.00 -0.13 1.04 -1.14 -1.57 0.00 0.00 175.55 173.75 1y1x s GLN 125 N 1.62 4.30 -0.03 -0.62 0.74 -1.26 -4.62 119.66 119.79 1y1x s GLN 125 Ca 0.44 1.38 0.05 0.00 0.05 0.00 0.00 55.36 57.27 1y1x s GLN 125 Cb -0.18 -3.62 -0.01 0.00 1.10 0.00 0.00 33.01 30.30 1y1x s GLN 125 CO 0.18 -0.55 -0.17 0.08 -0.55 0.00 0.00 175.29 174.28 1y1x s VAL 126 N 2.89 1.41 0.79 1.34 1.01 -1.26 -5.15 120.40 121.43 1y1x s VAL 126 Ca 0.45 -0.74 -0.11 0.00 0.00 0.00 0.00 61.98 61.58 1y1x s VAL 126 Cb -0.16 -1.19 0.06 0.00 0.00 0.00 0.00 36.38 35.09 1y1x s VAL 126 CO 0.09 0.40 1.09 -0.94 0.00 0.00 0.00 175.10 175.75 1y1x s SER 127 N -0.19 4.58 0.28 3.32 1.04 -1.26 -4.87 113.70 116.61 1y1x s SER 127 Ca 0.02 1.33 -0.02 0.00 0.48 0.00 0.00 55.95 57.76 1y1x s SER 127 Cb -0.09 -2.08 0.40 0.00 0.10 0.00 0.00 66.02 64.35 1y1x s SER 127 CO 0.01 -1.91 1.85 -0.08 0.98 0.00 0.00 173.24 174.08 1y1x h GLU 128 N -1.05 0.90 -0.75 4.02 4.57 -2.01 -0.01 114.58 120.24 1y1x h GLU 128 Ca -0.47 -0.15 -0.06 0.00 -1.18 0.00 0.00 59.36 57.50 1y1x h GLU 128 Cb 1.26 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 29.67 1y1x h GLU 128 CO 0.59 0.75 0.24 0.37 -1.18 0.00 0.00 179.01 179.78 1y1x h GLN 129 N 0.88 1.17 -0.43 1.92 -0.00 -1.99 -0.31 115.11 116.35 1y1x h GLN 129 Ca 0.20 -0.25 -0.09 0.00 -0.00 0.00 0.00 58.65 58.52 1y1x h GLN 129 Cb 0.21 -0.17 -0.01 0.00 0.00 0.00 0.00 27.48 27.51 1y1x h GLN 129 CO -0.01 0.99 -0.07 1.15 0.00 0.00 0.00 178.83 180.88 1y1x h THR 130 N 1.12 1.27 -0.49 2.39 2.02 -1.84 -2.13 112.91 115.25 1y1x h THR 130 Ca 0.24 -1.16 0.10 0.00 0.77 0.00 0.00 66.41 66.36 1y1x h THR 130 Cb 0.31 1.15 -0.09 0.00 -1.74 0.00 0.00 68.15 67.78 1y1x h THR 130 CO -0.01 0.39 -0.08 0.15 0.37 0.00 0.00 175.52 176.35 1y1x h PHE 131 N 0.63 -0.17 -1.00 3.16 3.57 -0.72 0.10 116.94 122.51 1y1x h PHE 131 Ca 0.11 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.69 1y1x h PHE 131 Cb 0.59 0.15 -0.06 0.00 2.79 0.00 0.00 35.95 39.43 1y1x h PHE 131 CO 0.05 -0.18 0.65 1.96 -2.23 0.00 0.00 178.31 178.56 1y1x h GLN 132 N 0.04 1.22 -0.17 1.11 1.08 -0.80 0.22 115.11 117.81 1y1x h GLN 132 Ca 0.24 -0.07 -0.11 0.00 -1.45 0.00 0.00 58.65 57.26 1y1x h GLN 132 Cb 0.37 -0.27 -0.01 0.00 -0.05 0.00 0.00 27.48 27.51 1y1x h GLN 132 CO -0.47 0.81 -0.37 0.00 -0.95 0.00 0.00 178.83 177.84 1y1x h ALA 133 N 1.41 1.06 -0.21 3.87 0.00 -0.69 -1.30 119.26 123.40 1y1x h ALA 133 Ca 0.40 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1y1x h ALA 133 Cb 0.01 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1y1x h ALA 133 CO -0.13 0.59 -0.16 -0.07 0.00 0.00 0.00 179.25 179.48 1y1x h LEU 134 N 0.31 0.50 -0.66 0.00 3.38 -0.01 -2.55 115.31 116.28 1y1x h LEU 134 Ca 0.03 -0.45 0.03 0.00 0.09 0.00 0.00 57.88 57.58 1y1x h LEU 134 Cb 0.79 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 1y1x h LEU 134 CO 0.06 0.85 0.41 0.24 0.09 0.00 0.00 178.44 180.09 1y1x h MET 135 N 0.16 0.79 -0.88 1.13 2.86 -0.51 -1.38 114.93 117.09 1y1x h MET 135 Ca 0.04 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1y1x h MET 135 Cb 0.68 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 32.12 1y1x h MET 135 CO 0.04 0.52 0.52 -0.09 1.06 0.00 0.00 176.91 178.96 1y1x h ARG 136 N 0.81 1.20 -0.12 1.72 2.43 -1.17 -0.16 114.38 119.09 1y1x h ARG 136 Ca 0.26 -0.12 -0.18 0.00 -0.81 0.00 0.00 59.98 59.13 1y1x h ARG 136 Cb 0.00 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 29.30 1y1x h ARG 136 CO -0.10 0.85 -0.69 -0.22 -1.51 0.00 0.00 179.97 178.31 1y1x h LYS 137 N 1.22 0.51 0.00 0.20 1.63 -1.03 -3.37 116.57 115.73 1y1x h LYS 137 Ca 0.31 -0.38 -0.05 0.00 -0.85 0.00 0.00 60.65 59.68 1y1x h LYS 137 Cb -0.03 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.66 1y1x h LYS 137 CO -0.06 1.01 -1.65 1.19 -3.45 0.00 0.00 179.45 176.49 1y1x n PHE 138 N -3.89 0.42 -2.18 1.91 3.72 -0.56 -4.55 117.46 112.33 1y1x n PHE 138 Ca -0.04 0.13 -0.43 0.00 -0.05 0.00 0.00 57.45 57.06 1y1x n PHE 138 Cb 0.68 -0.76 0.00 0.00 -0.94 0.00 0.00 39.48 38.47 1y1x n PHE 138 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1y1x n ASP 139 N -2.51 4.46 0.20 4.37 2.03 -0.09 -4.75 116.55 120.26 1y1x n ASP 139 Ca -0.06 -2.90 0.04 0.00 0.52 0.00 0.00 54.79 52.39 1y1x n ASP 139 Cb 0.64 -1.68 0.41 0.00 -0.72 0.00 0.00 41.12 39.78 1y1x n ASP 139 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1y1x h ARG 140 N 6.68 0.00 -0.01 -0.67 3.08 -1.86 -1.47 114.38 120.13 1y1x h ARG 140 Ca 0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.55 1y1x h ARG 140 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.79 1y1x h ARG 140 CO 1.66 0.30 -0.12 1.04 -1.07 0.00 0.00 179.97 181.79 1y1x n GLN 141 N -4.18 0.95 -3.49 0.04 6.02 -1.26 -4.95 117.38 110.51 1y1x n GLN 141 Ca -0.02 -0.43 -0.19 0.00 -0.01 0.00 0.00 57.00 56.35 1y1x n GLN 141 Cb 0.34 -1.49 0.08 0.00 1.02 0.00 0.00 30.24 30.20 1y1x n GLN 141 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1y1x n ARG 142 N -0.65 -6.95 0.00 -1.09 1.74 -0.56 -4.94 116.66 104.23 1y1x n ARG 142 Ca 0.16 0.83 0.08 0.00 -0.77 0.00 0.00 57.85 58.15 1y1x n ARG 142 Cb 0.30 -5.85 0.03 0.00 -1.02 0.00 0.00 32.46 25.92 1y1x n ARG 142 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1y1x n ARG 143 N -4.39 1.53 -1.00 5.56 1.74 -1.26 -4.97 116.66 113.87 1y1x n ARG 143 Ca -0.20 -1.15 0.00 0.00 -0.77 0.00 0.00 57.85 55.73 1y1x n ARG 143 Cb 0.64 -1.30 0.00 0.00 -1.02 0.00 0.00 32.46 30.78 1y1x n ARG 143 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1y1x n GLY 144 N 1.06 0.43 3.27 -0.13 0.00 -1.26 -5.01 105.19 103.55 1y1x n GLY 144 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 1y1x n GLY 144 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y1x s SER 145 N -2.01 0.12 -0.09 1.61 1.04 -1.26 -4.09 113.70 109.02 1y1x s SER 145 Ca 0.00 -0.88 0.02 0.00 0.48 0.00 0.00 55.95 55.57 1y1x s SER 145 Cb 0.00 0.38 -0.02 0.00 0.10 0.00 0.00 66.02 66.48 1y1x s SER 145 CO 0.00 -0.82 -0.13 -0.76 0.98 0.00 0.00 173.24 172.52 1y1x s LEU 146 N -2.95 2.78 0.00 2.42 1.43 -0.70 -4.78 118.68 116.87 1y1x s LEU 146 Ca 0.15 -0.24 -0.09 0.00 -1.03 0.00 0.00 54.13 52.93 1y1x s LEU 146 Cb 0.05 -1.60 0.13 0.00 0.03 0.00 0.00 46.19 44.80 1y1x s LEU 146 CO -0.03 0.27 0.77 0.61 0.23 0.00 0.00 176.35 178.20 1y1x n GLY 147 N 2.85 -1.08 0.25 -3.19 0.00 -1.26 -0.44 105.19 102.31 1y1x n GLY 147 Ca -0.18 -1.73 -0.13 0.00 0.00 0.00 0.00 46.02 43.97 1y1x n GLY 147 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1y1x h PHE 148 N -1.34 1.06 -0.63 1.61 3.57 -1.99 -0.72 116.94 118.50 1y1x h PHE 148 Ca -0.25 -0.35 -0.04 0.00 3.53 0.00 0.00 57.97 60.86 1y1x h PHE 148 Cb 0.71 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.22 1y1x h PHE 148 CO 0.00 1.17 0.25 0.38 -2.23 0.00 0.00 178.31 177.88 1y1x h ASP 149 N 0.67 0.88 -0.74 0.41 3.04 -1.94 -1.05 116.42 117.68 1y1x h ASP 149 Ca 0.03 -0.17 0.03 0.00 -3.24 0.00 0.00 57.03 53.67 1y1x h ASP 149 Cb 1.09 -0.23 -0.04 0.00 -1.04 0.00 0.00 39.33 39.10 1y1x h ASP 149 CO 0.11 0.81 0.47 0.44 -2.04 0.00 0.00 179.24 179.03 1y1x h ASP 150 N 0.89 0.78 -0.30 4.15 3.32 -1.79 -0.33 116.42 123.14 1y1x h ASP 150 Ca 0.21 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.21 1y1x h ASP 150 Cb 0.21 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1y1x h ASP 150 CO -0.02 0.54 0.05 0.22 -1.72 0.00 0.00 179.24 178.31 1y1x h TYR 151 N 0.92 0.62 -0.22 4.55 3.20 -0.69 -0.54 116.97 124.81 1y1x h TYR 151 Ca 0.29 -0.06 -0.03 0.00 3.14 0.00 0.00 58.73 62.08 1y1x h TYR 151 Cb 0.00 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 1y1x h TYR 151 CO -0.03 0.57 0.03 0.28 -1.64 0.00 0.00 178.16 177.37 1y1x h VAL 152 N 0.58 1.23 0.03 1.81 2.07 -0.80 0.98 116.25 122.15 1y1x h VAL 152 Ca 0.13 -0.78 0.02 0.00 0.82 0.00 0.00 66.70 66.89 1y1x h VAL 152 Cb 0.30 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 1y1x h VAL 152 CO 0.01 0.24 -0.18 -0.33 0.02 0.00 0.00 177.57 177.33 1y1x h GLU 153 N 0.17 -0.29 -0.80 1.57 4.39 -0.60 -0.09 114.58 118.91 1y1x h GLU 153 Ca 0.07 0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.81 1y1x h GLU 153 Cb 0.34 0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.01 1y1x h GLU 153 CO 0.01 -0.20 0.53 1.25 -1.16 0.00 0.00 179.01 179.44 1y1x h LEU 154 N -0.30 0.87 -0.19 1.33 5.85 -1.08 -0.72 115.31 121.06 1y1x h LEU 154 Ca 0.05 -0.01 -0.20 0.00 0.84 0.00 0.00 57.88 58.56 1y1x h LEU 154 Cb 0.36 -0.21 0.01 0.00 0.37 0.00 0.00 40.66 41.19 1y1x h LEU 154 CO -0.15 0.61 -0.65 0.28 -0.34 0.00 0.00 178.44 178.19 1y1x h SER 155 N 1.02 0.89 -0.26 1.25 0.02 -0.18 -0.17 113.55 116.12 1y1x h SER 155 Ca 0.31 -0.60 -0.01 0.00 -0.84 0.00 0.00 61.79 60.65 1y1x h SER 155 Cb -0.01 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.26 1y1x h SER 155 CO -0.08 1.34 0.12 0.40 -1.14 0.00 0.00 176.83 177.46 1y1x h ILE 156 N 0.50 1.15 0.17 3.27 2.04 -0.64 -1.53 117.51 122.47 1y1x h ILE 156 Ca -0.03 -0.44 0.01 0.00 1.00 0.00 0.00 64.86 65.40 1y1x h ILE 156 Cb 1.27 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 38.30 1y1x h ILE 156 CO 0.14 0.15 -0.26 0.15 0.00 0.00 0.00 178.15 178.33 1y1x h PHE 157 N 0.28 -0.70 -0.72 1.37 3.57 -1.02 -1.42 116.94 118.29 1y1x h PHE 157 Ca 0.09 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.55 1y1x h PHE 157 Cb 0.13 0.29 -0.03 0.00 2.79 0.00 0.00 35.95 39.13 1y1x h PHE 157 CO -0.02 -0.37 0.25 0.28 -2.23 0.00 0.00 178.31 176.22 1y1x h VAL 158 N -0.50 1.25 -0.70 1.41 2.07 -1.01 -0.68 116.25 118.09 1y1x h VAL 158 Ca 0.02 -0.84 0.01 0.00 0.82 0.00 0.00 66.70 66.70 1y1x h VAL 158 Cb 0.50 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1y1x h VAL 158 CO -0.12 0.33 0.46 0.00 0.02 0.00 0.00 177.57 178.27 1y1x h ARG 160 N 0.95 0.75 -0.37 0.00 3.08 -0.80 -1.72 114.38 116.26 1y1x h ARG 160 Ca 0.26 -0.37 0.03 0.00 0.07 0.00 0.00 59.98 59.97 1y1x h ARG 160 Cb -0.10 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 29.92 1y1x h ARG 160 CO -0.05 0.99 0.17 0.28 -1.07 0.00 0.00 179.97 180.29 1y1x h VAL 161 N 0.52 0.95 -0.51 2.04 2.07 -1.03 -1.79 116.25 118.50 1y1x h VAL 161 Ca 0.06 -0.12 -0.07 0.00 0.82 0.00 0.00 66.70 67.39 1y1x h VAL 161 Cb 0.82 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1y1x h VAL 161 CO 0.07 0.06 0.03 0.03 0.02 0.00 0.00 177.57 177.78 1y1x h ARG 162 N 0.35 0.84 -0.45 1.57 3.08 -0.87 -0.97 114.38 117.94 1y1x h ARG 162 Ca 0.16 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1y1x h ARG 162 Cb 0.09 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 1y1x h ARG 162 CO -0.13 0.83 0.23 -0.91 -1.07 0.00 0.00 179.97 178.92 1y1x h ASN 163 N 0.79 0.58 0.37 7.04 2.35 -0.83 -0.71 115.58 125.16 1y1x h ASN 163 Ca 0.16 -0.11 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 1y1x h ASN 163 Cb 0.44 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.66 1y1x h ASN 163 CO 0.02 0.52 -0.18 0.58 -1.65 0.00 0.00 177.43 176.72 1y1x h VAL 164 N 0.59 0.64 -0.24 2.81 2.07 -1.21 -2.25 116.25 118.66 1y1x h VAL 164 Ca 0.16 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.64 1y1x h VAL 164 Cb 0.08 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1y1x h VAL 164 CO -0.02 0.01 0.13 0.15 0.02 0.00 0.00 177.57 177.85 1y1x h PHE 165 N -0.51 0.33 -0.35 1.57 3.57 -1.01 -2.36 116.94 118.18 1y1x h PHE 165 Ca -0.05 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.33 1y1x h PHE 165 Cb 0.39 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 1y1x h PHE 165 CO -0.05 0.29 -0.22 0.00 -2.23 0.00 0.00 178.31 176.10 1y1x h ALA 166 N 1.01 0.96 -0.32 2.41 0.00 -1.22 0.61 119.26 122.72 1y1x h ALA 166 Ca 0.08 -0.36 0.07 0.00 0.00 0.00 0.00 54.91 54.70 1y1x h ALA 166 Cb 0.07 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 17.63 1y1x h ALA 166 CO -0.01 0.61 -0.35 0.35 0.00 0.00 0.00 179.25 179.84 1y1x h PHE 167 N 0.60 -1.00 0.00 0.00 3.57 -1.11 -2.85 116.94 116.15 1y1x h PHE 167 Ca 0.09 0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 1y1x h PHE 167 Cb 0.70 0.48 -0.01 0.00 2.79 0.00 0.00 35.95 39.92 1y1x h PHE 167 CO 0.03 -0.41 -0.21 1.88 -2.23 0.00 0.00 178.31 177.38 1y1x h TYR 168 N -0.32 0.00 -1.02 0.41 0.05 -0.83 -3.37 116.97 111.89 1y1x h TYR 168 Ca 0.14 0.00 -0.71 0.00 0.05 0.00 0.00 58.73 58.21 1y1x h TYR 168 Cb 0.56 0.00 -0.10 0.00 1.01 0.00 0.00 36.73 38.20 1y1x h TYR 168 CO -0.52 0.21 2.20 -3.47 -1.05 0.00 0.00 178.16 175.52 1y1x n ASP 169 N -3.17 4.80 -0.09 3.88 2.03 0.21 -4.79 116.55 119.42 1y1x n ASP 169 Ca 0.03 -2.93 -0.08 0.00 0.52 0.00 0.00 54.79 52.33 1y1x n ASP 169 Cb 0.59 -1.67 -0.02 0.00 -0.72 0.00 0.00 41.12 39.31 1y1x n ASP 169 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1y1x h ARG 170 N 6.98 -0.25 -0.48 -0.67 2.47 -1.78 -2.63 114.38 118.02 1y1x h ARG 170 Ca 0.44 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 59.18 1y1x h ARG 170 Cb 0.80 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.18 1y1x h ARG 170 CO 1.52 -0.17 0.00 0.39 0.56 0.00 0.00 179.97 182.27 1y1x n GLU 171 N -5.41 3.29 -3.83 0.04 1.02 -1.26 -4.95 120.64 109.55 1y1x n GLU 171 Ca 0.00 -2.64 -0.25 0.00 -0.02 0.00 0.00 57.16 54.26 1y1x n GLU 171 Cb 0.33 -1.70 0.01 0.00 -0.02 0.00 0.00 31.44 30.05 1y1x n GLU 171 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1y1x n ARG 172 N 0.59 -3.59 0.00 3.49 1.74 -0.99 -4.89 116.66 113.01 1y1x n ARG 172 Ca 0.21 0.49 0.13 0.00 -0.77 0.00 0.00 57.85 57.91 1y1x n ARG 172 Cb 0.76 -4.71 0.41 0.00 -1.02 0.00 0.00 32.46 27.90 1y1x n ARG 172 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1y1x n THR 173 N -4.32 0.00 -0.16 0.55 -2.24 -1.26 -4.95 114.28 101.89 1y1x n THR 173 Ca -0.28 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 1y1x n THR 173 Cb 0.67 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 69.22 1y1x n THR 173 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1y1x n GLY 174 N 1.33 1.99 3.38 3.38 0.00 -1.26 -5.04 105.19 108.97 1y1x n GLY 174 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 1y1x n GLY 174 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1y1x s GLN 175 N -0.24 1.41 0.02 1.61 -2.07 -1.26 -5.14 119.66 114.00 1y1x s GLN 175 Ca 0.00 -1.52 0.02 0.00 -1.82 0.00 0.00 55.36 52.04 1y1x s GLN 175 Cb 0.00 -1.53 -0.01 0.00 -1.09 0.00 0.00 33.01 30.38 1y1x s GLN 175 CO 0.00 0.31 -0.07 0.14 -1.32 0.00 0.00 175.29 174.35 1y1x s VAL 176 N -2.10 0.53 -0.15 3.63 -7.23 -1.26 -4.62 120.40 109.21 1y1x s VAL 176 Ca 0.20 -0.61 0.00 0.00 -1.81 0.00 0.00 61.98 59.76 1y1x s VAL 176 Cb -0.06 -0.51 -0.01 0.00 0.56 0.00 0.00 36.38 36.36 1y1x s VAL 176 CO 0.09 -0.07 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.77 1y1x s THR 177 N -0.65 2.77 0.08 5.32 2.01 -1.26 -5.12 115.64 118.80 1y1x s THR 177 Ca -0.02 -0.74 0.09 0.00 0.31 0.00 0.00 61.69 61.33 1y1x s THR 177 Cb -0.05 -2.17 -0.03 0.00 0.01 0.00 0.00 72.50 70.26 1y1x s THR 177 CO 0.00 0.52 -0.25 -0.36 -0.69 0.00 0.00 174.62 173.84 1y1x s PHE 178 N 0.69 2.13 0.71 4.92 0.08 -1.26 -5.03 117.98 120.21 1y1x s PHE 178 Ca -0.07 -0.40 -0.05 0.00 0.12 0.00 0.00 56.93 56.53 1y1x s PHE 178 Cb -0.16 -1.23 0.08 0.00 -0.57 0.00 0.00 43.02 41.15 1y1x s PHE 178 CO 0.02 0.19 1.00 0.95 -0.10 0.00 0.00 175.22 177.28 1y1x s THR 179 N -0.92 2.29 0.19 0.64 -4.23 -1.26 -4.89 115.64 107.46 1y1x s THR 179 Ca 0.11 -0.37 -0.13 0.00 -1.18 0.00 0.00 61.69 60.12 1y1x s THR 179 Cb -0.10 -2.92 0.09 0.00 1.34 0.00 0.00 72.50 70.92 1y1x s THR 179 CO 0.03 0.00 1.84 0.15 -0.54 0.00 0.00 174.62 176.10 1y1x h PHE 180 N -0.57 0.71 -0.38 3.99 3.57 -2.00 -0.64 116.94 121.61 1y1x h PHE 180 Ca -0.42 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.17 1y1x h PHE 180 Cb 1.30 -0.24 -0.09 0.00 2.79 0.00 0.00 35.95 39.71 1y1x h PHE 180 CO 0.09 0.43 -0.25 0.22 -2.23 0.00 0.00 178.31 176.57 1y1x h ASP 181 N 0.76 -0.82 0.45 0.41 3.58 -1.99 0.12 116.42 118.92 1y1x h ASP 181 Ca 0.23 0.16 -0.12 0.00 0.42 0.00 0.00 57.03 57.72 1y1x h ASP 181 Cb -0.04 0.41 -0.01 0.00 1.72 0.00 0.00 39.33 41.41 1y1x h ASP 181 CO -0.07 -0.27 -0.54 0.71 -2.88 0.00 0.00 179.24 176.19 1y1x h THR 182 N -0.19 1.38 -0.19 2.25 1.35 -1.85 -1.45 112.91 114.22 1y1x h THR 182 Ca 0.18 -1.85 -0.03 0.00 -0.55 0.00 0.00 66.41 64.16 1y1x h THR 182 Cb 0.47 1.96 -0.01 0.00 -1.73 0.00 0.00 68.15 68.85 1y1x h THR 182 CO -0.49 0.54 -0.01 0.15 -0.25 0.00 0.00 175.52 175.46 1y1x h PHE 183 N 0.08 0.37 -0.27 4.73 3.57 -0.49 -0.61 116.94 124.33 1y1x h PHE 183 Ca -0.00 -0.07 -0.10 0.00 3.53 0.00 0.00 57.97 61.33 1y1x h PHE 183 Cb 0.99 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 1y1x h PHE 183 CO 0.01 0.55 -0.26 0.97 -2.23 0.00 0.00 178.31 177.34 1y1x h ILE 184 N 0.09 1.27 -0.30 1.41 2.10 -0.73 0.15 117.51 121.51 1y1x h ILE 184 Ca 0.05 -1.31 0.01 0.00 1.08 0.00 0.00 64.86 64.68 1y1x h ILE 184 Cb 0.40 1.35 -0.02 0.00 -1.09 0.00 0.00 36.82 37.47 1y1x h ILE 184 CO 0.01 0.42 0.19 1.23 -1.08 0.00 0.00 178.15 178.92 1y1x h GLY 185 N 1.02 0.42 1.00 8.18 0.00 -1.09 0.75 103.07 113.35 1y1x h GLY 185 Ca 0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.21 1y1x h GLY 185 CO 0.05 0.15 0.26 -1.33 0.00 0.00 0.00 176.54 175.67 1y1x h GLY 186 N 0.40 1.00 1.01 4.60 0.00 -0.93 -2.45 103.07 106.69 1y1x h GLY 186 Ca 0.11 -0.53 0.01 0.00 0.00 0.00 0.00 47.33 46.92 1y1x h GLY 186 CO -0.03 0.50 0.52 1.76 0.00 0.00 0.00 176.54 179.29 1y1x h SER 187 N 0.88 0.90 -0.22 0.19 0.02 -0.65 -1.72 113.55 112.95 1y1x h SER 187 Ca 0.21 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.09 1y1x h SER 187 Cb 0.18 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 1y1x h SER 187 CO -0.02 0.65 -0.01 1.62 -1.14 0.00 0.00 176.83 177.93 1y1x h VAL 188 N 1.06 1.20 -0.25 2.27 3.04 -0.72 -1.88 116.25 120.98 1y1x h VAL 188 Ca 0.29 -0.81 0.07 0.00 -1.01 0.00 0.00 66.70 65.24 1y1x h VAL 188 Cb -0.12 0.96 -0.01 0.00 -2.01 0.00 0.00 31.29 30.11 1y1x h VAL 188 CO -0.06 0.28 0.18 0.28 -1.01 0.00 0.00 177.57 177.23 1y1x h SER 189 N 0.50 0.03 1.08 3.17 0.02 -0.84 -2.36 113.55 115.15 1y1x h SER 189 Ca 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1y1x h SER 189 Cb 0.35 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.88 1y1x h SER 189 CO 0.01 0.02 -0.22 -0.38 -1.14 0.00 0.00 176.83 175.12 1y1x n ILE 190 N -4.47 0.30 1.46 3.27 5.41 -0.72 -4.98 119.36 119.64 1y1x n ILE 190 Ca 0.03 -0.17 0.12 0.00 1.00 0.00 0.00 62.75 63.72 1y1x n ILE 190 Cb 0.31 -0.34 0.69 0.00 -0.71 0.00 0.00 39.64 39.59 1y1x n ILE 190 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73