#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gta s PRO 79 N 0.00 3.77 0.27 1.61 0.04 -1.26 -4.94 135.00 134.48 3gta s PRO 79 Ca 0.00 1.70 -0.04 0.00 0.04 0.00 0.00 61.00 62.70 3gta s PRO 79 Cb 0.00 -2.37 0.33 0.00 0.04 0.00 0.00 34.50 32.50 3gta s PRO 79 CO 0.00 -0.53 1.92 0.00 0.04 0.00 0.00 177.00 178.43 3gta h ALA 80 N 1.99 1.30 -2.53 8.56 0.00 -0.95 -3.36 119.26 124.27 3gta h ALA 80 Ca -0.49 -0.09 -0.60 0.00 0.00 0.00 0.00 54.91 53.73 3gta h ALA 80 Cb 1.24 -0.35 -0.39 0.00 0.00 0.00 0.00 17.79 18.28 3gta h ALA 80 CO 0.60 0.61 -0.86 0.34 0.00 0.00 0.00 179.25 179.94 3gta n PHE 81 N -4.37 0.49 0.09 0.00 -0.00 0.11 -4.99 117.46 108.78 3gta n PHE 81 Ca 0.10 -3.65 0.16 0.00 -0.00 0.00 0.00 57.45 54.06 3gta n PHE 81 Cb 0.05 -0.07 0.68 0.00 -0.00 0.00 0.00 39.48 40.14 3gta n PHE 81 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.76 175.41 3gta h PRO 82 N 5.36 0.00 0.00 -7.13 0.11 -1.79 -2.32 132.00 126.23 3gta h PRO 82 Ca 0.22 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.33 3gta h PRO 82 Cb 0.85 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 3gta h PRO 82 CO 0.50 0.00 -0.00 0.78 -0.21 0.00 0.00 178.00 179.07 3gta h GLY 83 N 0.00 0.00 -2.35 -0.55 0.00 -1.94 -1.50 103.07 96.73 3gta h GLY 83 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.40 3gta h GLY 83 CO -0.00 0.00 0.06 1.03 0.00 0.00 0.00 176.54 177.63 3gta n MET 84 N -3.12 2.99 0.25 4.80 2.81 -0.87 -4.59 117.12 119.39 3gta n MET 84 Ca -0.03 -3.00 0.16 0.00 -1.81 0.00 0.00 57.70 53.02 3gta n MET 84 Cb 0.08 -1.96 0.62 0.00 -0.71 0.00 0.00 33.22 31.25 3gta n MET 84 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3gta h GLY 85 N 1.95 0.00 -5.03 3.03 0.00 -1.40 -3.44 103.07 98.19 3gta h GLY 85 Ca 0.12 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.88 3gta h GLY 85 CO 0.42 0.00 0.52 -0.45 0.00 0.00 0.00 176.54 177.02 3gta s SER 86 N -5.48 7.11 0.28 0.19 0.15 -1.26 -4.95 113.70 109.73 3gta s SER 86 Ca 0.02 1.36 -0.03 0.00 0.70 0.00 0.00 55.95 58.00 3gta s SER 86 Cb 0.09 -2.51 0.38 0.00 -1.71 0.00 0.00 66.02 62.26 3gta s SER 86 CO 0.53 -0.45 1.95 -0.08 1.20 0.00 0.00 173.24 176.39 3gta h GLU 87 N 7.23 1.16 -0.38 5.44 4.81 -1.89 -1.66 114.58 129.28 3gta h GLU 87 Ca -0.29 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 58.86 3gta h GLU 87 Cb 1.13 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 30.23 3gta h GLU 87 CO 0.86 0.78 0.22 1.49 -0.73 0.00 0.00 179.01 181.63 3gta h GLU 88 N 1.19 0.52 -0.77 1.92 4.81 -1.95 0.65 114.58 120.96 3gta h GLU 88 Ca 0.32 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.48 3gta h GLU 88 Cb -0.12 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.12 3gta h GLU 88 CO -0.07 0.41 0.43 -0.07 -0.73 0.00 0.00 179.01 178.99 3gta h LEU 89 N 0.49 0.95 -0.72 1.64 3.38 -1.85 -1.22 115.31 117.97 3gta h LEU 89 Ca 0.13 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3gta h LEU 89 Cb 0.04 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 3gta h LEU 89 CO -0.02 0.76 0.43 0.03 0.09 0.00 0.00 178.44 179.73 3gta h ARG 90 N 1.06 0.99 -0.62 1.13 3.08 -0.89 -2.56 114.38 116.56 3gta h ARG 90 Ca 0.27 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 60.18 3gta h ARG 90 Cb 0.02 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 29.84 3gta h ARG 90 CO -0.05 0.71 0.21 1.25 -1.07 0.00 0.00 179.97 181.02 3gta h LEU 91 N 0.99 0.90 -2.05 3.04 5.85 -0.49 -2.39 115.31 121.16 3gta h LEU 91 Ca 0.26 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.79 3gta h LEU 91 Cb -0.02 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 40.78 3gta h LEU 91 CO -0.05 0.86 0.04 0.00 -0.34 0.00 0.00 178.44 178.95 3gta h ALA 92 N 1.07 2.00 0.00 1.25 0.00 -0.94 -2.05 119.26 120.59 3gta h ALA 92 Ca 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3gta h ALA 92 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3gta h ALA 92 CO -0.01 -0.06 0.00 0.66 0.00 0.00 0.00 179.25 179.84 3gta h SER 93 N 0.00 0.00 -0.24 0.00 4.64 -1.03 -2.95 113.55 113.97 3gta h SER 93 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3gta h SER 93 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 3gta h SER 93 CO -0.00 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.45 3gta n PHE 94 N -3.00 0.77 0.15 4.77 3.72 -0.77 -4.49 117.46 118.60 3gta n PHE 94 Ca -0.00 -0.27 0.12 0.00 -0.05 0.00 0.00 57.45 57.24 3gta n PHE 94 Cb 0.22 -0.22 0.63 0.00 -0.94 0.00 0.00 39.48 39.17 3gta n PHE 94 CO 0.00 0.00 0.00 0.10 -0.05 0.00 0.00 176.76 176.81 3gta h TYR 95 N 1.62 0.06 -0.19 1.38 -0.00 -1.71 -1.55 116.97 116.57 3gta h TYR 95 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 58.73 58.63 3gta h TYR 95 Cb 0.98 -0.02 -0.06 0.00 0.00 0.00 0.00 36.73 37.63 3gta h TYR 95 CO 0.40 0.03 -0.26 -3.47 -0.00 0.00 0.00 178.16 174.86 3gta n ASP 96 N -4.48 2.14 -4.72 0.10 2.03 -1.26 -5.04 116.55 105.32 3gta n ASP 96 Ca 0.02 -3.83 -0.42 0.00 0.52 0.00 0.00 54.79 51.08 3gta n ASP 96 Cb 0.26 -0.59 -0.03 0.00 -0.72 0.00 0.00 41.12 40.04 3gta n ASP 96 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 3gta s TRP 97 N -3.24 2.91 -1.65 -0.67 -0.11 -0.59 -4.92 118.94 110.67 3gta s TRP 97 Ca 0.42 0.41 0.30 0.00 1.22 0.00 0.00 56.10 58.44 3gta s TRP 97 Cb 0.39 -4.08 1.41 0.00 -1.50 0.00 0.00 33.47 29.69 3gta s TRP 97 CO -0.03 -4.08 1.97 -0.35 -4.62 0.00 0.00 176.95 169.84 3gta n PRO 98 N 4.08 0.68 -2.50 5.86 -0.04 -1.26 -4.33 135.00 137.49 3gta n PRO 98 Ca 0.15 -0.15 -0.15 0.00 -0.04 0.00 0.00 63.50 63.31 3gta n PRO 98 Cb 0.36 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.35 3gta n PRO 98 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3gta n LEU 99 N -1.03 3.16 -0.11 1.53 4.77 -1.26 -4.93 117.00 119.12 3gta n LEU 99 Ca 0.16 -4.19 -0.07 0.00 -0.03 0.00 0.00 56.01 51.89 3gta n LEU 99 Cb 0.24 0.03 0.01 0.00 -2.33 0.00 0.00 43.42 41.38 3gta n LEU 99 CO 0.22 1.74 0.98 0.74 -1.33 0.00 0.00 177.39 179.74 3gta h THR 100 N 3.32 0.97 -0.22 -5.08 2.02 -1.78 0.22 112.91 112.36 3gta h THR 100 Ca 0.11 -0.13 -0.13 0.00 0.77 0.00 0.00 66.41 67.03 3gta h THR 100 Cb 1.22 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 3gta h THR 100 CO 0.58 0.07 -0.40 0.00 0.37 0.00 0.00 175.52 176.13 3gta h ALA 101 N 1.20 0.89 0.14 6.16 0.00 -1.97 -3.26 119.26 122.43 3gta h ALA 101 Ca 0.16 -0.43 -0.27 0.00 0.00 0.00 0.00 54.91 54.37 3gta h ALA 101 Cb 0.08 -0.11 0.03 0.00 0.00 0.00 0.00 17.79 17.79 3gta h ALA 101 CO -0.12 0.64 -1.13 0.93 0.00 0.00 0.00 179.25 179.57 3gta h GLU 102 N 0.43 0.52 -2.59 0.00 3.07 -1.80 -3.43 114.58 110.77 3gta h GLU 102 Ca 0.04 -0.74 -0.44 0.00 -0.50 0.00 0.00 59.36 57.72 3gta h GLU 102 Cb 0.89 0.26 -0.38 0.00 -0.84 0.00 0.00 28.75 28.68 3gta h GLU 102 CO 0.08 1.33 -0.71 0.08 -1.40 0.00 0.00 179.01 178.38 3gta s VAL 103 N -2.82 -0.20 0.20 3.13 1.01 0.01 -1.86 120.40 119.86 3gta s VAL 103 Ca -0.11 -0.53 -0.32 0.00 0.00 0.00 0.00 61.98 61.02 3gta s VAL 103 Cb 0.04 -0.90 -0.11 0.00 0.00 0.00 0.00 36.38 35.41 3gta s VAL 103 CO 0.90 -0.54 1.69 -2.84 0.00 0.00 0.00 175.10 174.32 3gta s PRO 104 N 2.21 4.14 0.37 2.72 0.02 -1.23 -4.46 135.00 138.78 3gta s PRO 104 Ca 0.08 2.55 0.14 0.00 0.02 0.00 0.00 61.00 63.79 3gta s PRO 104 Cb -0.15 -3.11 0.97 0.00 0.02 0.00 0.00 34.50 32.23 3gta s PRO 104 CO -0.30 -0.72 1.79 -1.35 -0.33 0.00 0.00 177.00 176.09 3gta h PRO 105 N 6.86 0.51 -0.70 5.54 0.11 -1.89 -1.65 132.00 140.78 3gta h PRO 105 Ca -0.43 -0.03 0.09 0.00 0.11 0.00 0.00 66.00 65.74 3gta h PRO 105 Cb 1.20 -0.11 -0.07 0.00 0.11 0.00 0.00 31.00 32.13 3gta h PRO 105 CO 0.95 0.34 0.36 0.93 -0.21 0.00 0.00 178.00 180.36 3gta h GLU 106 N 0.52 0.60 -0.14 1.05 3.07 -1.95 0.54 114.58 118.27 3gta h GLU 106 Ca 0.56 -0.04 -0.21 0.00 -0.50 0.00 0.00 59.36 59.17 3gta h GLU 106 Cb 1.21 -0.14 0.01 0.00 -0.84 0.00 0.00 28.75 29.00 3gta h GLU 106 CO -0.30 0.40 -0.74 -0.07 -1.40 0.00 0.00 179.01 176.90 3gta h LEU 107 N 0.62 0.90 -0.09 1.33 3.38 -1.71 -2.16 115.31 117.58 3gta h LEU 107 Ca 0.34 -0.63 0.01 0.00 0.09 0.00 0.00 57.88 57.69 3gta h LEU 107 Cb 0.33 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3gta h LEU 107 CO -0.25 1.38 0.02 -0.07 0.09 0.00 0.00 178.44 179.62 3gta h LEU 108 N 0.47 0.02 -0.60 1.67 3.38 -0.98 -1.76 115.31 117.51 3gta h LEU 108 Ca -0.05 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 3gta h LEU 108 Cb 1.37 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 42.11 3gta h LEU 108 CO 0.15 0.03 0.21 0.00 0.09 0.00 0.00 178.44 178.92 3gta h ALA 109 N 1.06 0.78 -0.45 1.53 0.00 -0.95 -1.75 119.26 119.49 3gta h ALA 109 Ca 0.04 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.78 3gta h ALA 109 Cb 0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3gta h ALA 109 CO -0.05 0.43 0.30 0.00 0.00 0.00 0.00 179.25 179.93 3gta h ALA 110 N 1.07 1.75 -0.14 0.00 0.00 -1.24 -1.86 119.26 118.85 3gta h ALA 110 Ca 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3gta h ALA 110 Cb 0.25 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3gta h ALA 110 CO -0.01 0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.45 3gta n ALA 111 N -2.48 2.50 -0.07 0.00 0.00 -0.67 -4.89 120.51 114.90 3gta n ALA 111 Ca 0.04 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.19 3gta n ALA 111 Cb 0.11 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.52 3gta n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gta n GLY 112 N 0.80 0.50 3.85 0.00 0.00 -0.70 -4.90 105.19 104.74 3gta n GLY 112 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 3gta n GLY 112 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gta s PHE 113 N -2.15 3.65 0.21 1.61 0.08 -0.70 -1.77 117.98 118.90 3gta s PHE 113 Ca 0.00 0.94 0.11 0.00 0.12 0.00 0.00 56.93 58.11 3gta s PHE 113 Cb 0.00 -2.27 -0.05 0.00 -0.57 0.00 0.00 43.02 40.14 3gta s PHE 113 CO 0.00 0.55 -0.23 -0.59 -0.10 0.00 0.00 175.22 174.84 3gta s PHE 114 N -1.29 2.30 -0.05 0.36 -0.12 -0.23 -3.75 117.98 115.20 3gta s PHE 114 Ca 0.31 -0.35 -0.29 0.00 -0.05 0.00 0.00 56.93 56.54 3gta s PHE 114 Cb -0.15 -1.12 -0.02 0.00 -0.63 0.00 0.00 43.02 41.09 3gta s PHE 114 CO 0.17 0.53 0.97 -1.58 -0.05 0.00 0.00 175.22 175.26 3gta s HIS 115 N -1.79 3.59 0.16 3.49 5.65 -1.26 -1.44 115.29 123.69 3gta s HIS 115 Ca 0.22 1.63 0.27 0.00 0.25 0.00 0.00 55.06 57.43 3gta s HIS 115 Cb -0.07 -3.13 1.10 0.00 -1.18 0.00 0.00 32.58 29.30 3gta s HIS 115 CO 0.11 -0.09 1.90 1.79 -0.65 0.00 0.00 174.74 177.79 3gta h THR 116 N 4.92 0.41 0.00 0.89 1.35 -1.65 -3.47 112.91 115.36 3gta h THR 116 Ca -0.37 -0.90 0.00 0.00 -0.55 0.00 0.00 66.41 64.60 3gta h THR 116 Cb 1.19 1.65 0.00 0.00 -1.73 0.00 0.00 68.15 69.26 3gta h THR 116 CO 0.79 0.15 0.00 0.61 -0.25 0.00 0.00 175.52 176.82 3gta n GLY 117 N 0.03 0.19 3.42 5.82 0.00 -1.26 -5.06 105.19 108.33 3gta n GLY 117 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3gta n GLY 117 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gta s HIS 118 N -2.06 3.03 0.00 1.61 3.76 -1.26 -5.02 115.29 115.35 3gta s HIS 118 Ca 0.00 -0.55 0.00 0.00 -0.15 0.00 0.00 55.06 54.36 3gta s HIS 118 Cb 0.00 -2.11 0.00 0.00 1.11 0.00 0.00 32.58 31.58 3gta s HIS 118 CO 0.00 -0.32 0.00 1.04 -0.85 0.00 0.00 174.74 174.61 3gta n GLN 119 N 4.47 0.00 -0.89 1.40 3.00 -1.26 -1.57 117.38 122.54 3gta n GLN 119 Ca -0.17 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.74 3gta n GLN 119 Cb 0.52 0.00 0.21 0.00 0.00 0.00 0.00 30.24 30.97 3gta n GLN 119 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 3gta n ASP 120 N 1.75 3.17 -4.70 1.08 5.75 -1.26 -4.71 116.55 117.64 3gta n ASP 120 Ca 0.00 -3.59 -0.42 0.00 -0.01 0.00 0.00 54.79 50.76 3gta n ASP 120 Cb 0.00 -0.68 -0.03 0.00 -1.03 0.00 0.00 41.12 39.38 3gta n ASP 120 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3gta s LYS 121 N -3.19 4.45 0.26 0.11 1.02 -0.61 -4.49 119.74 117.29 3gta s LYS 121 Ca 0.48 1.51 0.07 0.00 0.02 0.00 0.00 55.97 58.05 3gta s LYS 121 Cb 0.42 -3.49 -0.05 0.00 -0.52 0.00 0.00 37.83 34.18 3gta s LYS 121 CO 0.05 -0.25 -0.07 0.14 -0.92 0.00 0.00 175.35 174.29 3gta s VAL 122 N 1.62 1.62 -0.02 3.17 -7.23 -0.32 -1.65 120.40 117.59 3gta s VAL 122 Ca 0.52 -2.14 -0.04 0.00 -1.81 0.00 0.00 61.98 58.51 3gta s VAL 122 Cb -0.22 -2.35 0.00 0.00 0.56 0.00 0.00 36.38 34.37 3gta s VAL 122 CO 0.23 -0.37 0.10 -0.60 -0.31 0.00 0.00 175.10 174.16 3gta s ARG 123 N -3.72 0.24 0.04 4.82 3.52 -0.52 -1.33 118.95 122.00 3gta s ARG 123 Ca 0.28 -0.07 -0.29 0.00 -0.13 0.00 0.00 55.73 55.51 3gta s ARG 123 Cb 0.03 0.10 -0.04 0.00 -1.56 0.00 0.00 34.95 33.48 3gta s ARG 123 CO 0.11 -0.04 0.95 0.00 -0.81 0.00 0.00 175.30 175.50 3gta h PHE 125 N 6.27 0.00 0.00 0.00 -0.00 -1.65 -0.55 116.94 121.01 3gta h PHE 125 Ca -0.42 0.00 -0.09 0.00 -0.00 0.00 0.00 57.97 57.46 3gta h PHE 125 Cb 1.21 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 37.15 3gta h PHE 125 CO 0.66 0.18 -0.79 0.35 -0.00 0.00 0.00 178.31 178.72 3gta h PHE 126 N 0.00 0.00 0.00 6.09 3.04 -1.85 0.36 116.94 124.58 3gta h PHE 126 Ca -0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 3gta h PHE 126 Cb 0.42 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.93 3gta h PHE 126 CO 0.00 0.63 -0.71 0.00 -2.02 0.00 0.00 178.31 176.20 3gta n TYR 128 N -1.84 0.00 -2.34 0.00 9.36 -0.21 -4.95 117.16 117.18 3gta n TYR 128 Ca 0.04 0.00 -0.41 0.00 3.32 0.00 0.00 57.90 60.84 3gta n TYR 128 Cb 0.40 -2.28 -0.03 0.00 -0.63 0.00 0.00 39.34 36.80 3gta n TYR 128 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 3gta s GLY 129 N -2.68 2.56 -0.03 2.98 0.00 -1.26 -4.68 107.32 104.21 3gta s GLY 129 Ca 0.00 0.97 -0.01 0.00 0.00 0.00 0.00 44.72 45.68 3gta s GLY 129 CO 0.00 1.94 0.07 -0.32 0.00 0.00 0.00 173.10 174.79 3gta s GLY 130 N 0.34 2.00 -0.00 0.20 0.00 -1.26 -1.23 107.32 107.36 3gta s GLY 130 Ca 0.55 -0.84 0.02 0.00 0.00 0.00 0.00 44.72 44.45 3gta s GLY 130 CO 0.36 -0.68 -0.05 1.08 0.00 0.00 0.00 173.10 173.80 3gta s LEU 131 N -1.50 2.02 0.00 0.66 1.43 -0.44 -5.00 118.68 115.85 3gta s LEU 131 Ca 0.20 -0.11 0.04 0.00 -1.03 0.00 0.00 54.13 53.23 3gta s LEU 131 Cb -0.12 -0.26 -0.02 0.00 0.03 0.00 0.00 46.19 45.83 3gta s LEU 131 CO 0.11 0.05 0.15 0.00 0.23 0.00 0.00 176.35 176.89 3gta n GLN 132 N 2.88 0.22 -3.71 1.70 10.64 -1.26 -1.18 117.38 126.67 3gta n GLN 132 Ca -0.13 -1.80 -0.22 0.00 -1.83 0.00 0.00 57.00 53.02 3gta n GLN 132 Cb 0.58 1.48 0.03 0.00 -0.86 0.00 0.00 30.24 31.47 3gta n GLN 132 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 3gta n SER 133 N -2.29 -1.55 -4.75 2.61 7.64 -1.26 -4.92 113.62 109.10 3gta n SER 133 Ca 0.04 -0.81 -0.41 0.00 1.01 0.00 0.00 58.87 58.70 3gta n SER 133 Cb 0.33 -4.09 -0.02 0.00 -1.01 0.00 0.00 64.21 59.42 3gta n SER 133 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 3gta s TRP 134 N -3.63 3.11 0.08 1.43 0.52 -1.26 -5.03 118.94 114.15 3gta s TRP 134 Ca 0.07 1.25 0.02 0.00 0.02 0.00 0.00 56.10 57.46 3gta s TRP 134 Cb -0.03 -3.69 -0.04 0.00 -1.15 0.00 0.00 33.47 28.56 3gta s TRP 134 CO 0.81 -2.08 0.13 0.15 0.02 0.00 0.00 176.95 175.98 3gta s LYS 135 N -0.90 3.09 0.19 4.98 -0.14 -1.26 -5.05 119.74 120.65 3gta s LYS 135 Ca 0.54 -0.60 -0.33 0.00 -1.36 0.00 0.00 55.97 54.22 3gta s LYS 135 Cb -0.39 -2.84 -0.14 0.00 -1.68 0.00 0.00 37.83 32.78 3gta s LYS 135 CO 0.46 0.58 1.53 2.89 -0.76 0.00 0.00 175.35 180.05 3gta n ARG 136 N 0.36 2.17 -0.43 1.68 1.85 -1.26 -1.39 116.66 119.64 3gta n ARG 136 Ca -0.07 0.78 0.00 0.00 -1.00 0.00 0.00 57.85 57.56 3gta n ARG 136 Cb 0.51 -2.52 0.00 0.00 -1.05 0.00 0.00 32.46 29.41 3gta n ARG 136 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3gta n GLY 137 N 2.98 1.53 3.65 2.89 0.00 -0.78 -5.02 105.19 110.43 3gta n GLY 137 Ca 0.15 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.73 3gta n GLY 137 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gta n ASP 138 N 0.00 2.16 -4.47 1.61 8.00 -0.48 -4.97 116.55 118.40 3gta n ASP 138 Ca 0.00 1.19 -0.40 0.00 0.71 0.00 0.00 54.79 56.29 3gta n ASP 138 Cb 0.00 -1.39 -0.11 0.00 -0.02 0.00 0.00 41.12 39.60 3gta n ASP 138 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3gta s ASP 139 N -0.30 5.78 0.24 -2.24 2.15 -1.26 -4.88 116.67 116.17 3gta s ASP 139 Ca 0.59 -0.53 -0.05 0.00 0.43 0.00 0.00 52.55 52.99 3gta s ASP 139 Cb -0.64 -2.06 0.45 0.00 -0.30 0.00 0.00 42.92 40.37 3gta s ASP 139 CO 0.59 -0.23 1.72 -0.65 -0.17 0.00 0.00 175.17 176.43 3gta h PRO 140 N 8.42 0.40 -0.74 4.34 0.11 -1.93 -1.20 132.00 141.40 3gta h PRO 140 Ca -0.31 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.76 3gta h PRO 140 Cb 1.15 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 3gta h PRO 140 CO 0.63 0.26 0.38 -1.49 -0.21 0.00 0.00 178.00 177.57 3gta h TRP 141 N 0.41 1.03 -0.31 0.65 -0.00 -1.90 -0.14 115.95 115.69 3gta h TRP 141 Ca 0.41 -0.04 -0.01 0.00 -0.00 0.00 0.00 58.89 59.25 3gta h TRP 141 Cb 0.63 -0.33 -0.01 0.00 -0.00 0.00 0.00 29.16 29.45 3gta h TRP 141 CO -0.18 0.74 0.16 1.15 -0.00 0.00 0.00 178.44 180.31 3gta h THR 142 N 1.02 1.14 -0.50 1.49 2.02 -1.79 -1.61 112.91 114.67 3gta h THR 142 Ca 0.26 -0.37 -0.08 0.00 0.77 0.00 0.00 66.41 66.99 3gta h THR 142 Cb 0.07 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 3gta h THR 142 CO -0.04 0.14 0.00 -0.33 0.37 0.00 0.00 175.52 175.66 3gta h GLU 143 N 0.37 0.84 -0.38 6.66 4.39 -1.06 0.50 114.58 125.90 3gta h GLU 143 Ca 0.11 -0.23 0.03 0.00 0.34 0.00 0.00 59.36 59.61 3gta h GLU 143 Cb 0.08 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.60 3gta h GLU 143 CO -0.02 0.84 0.18 1.25 -1.16 0.00 0.00 179.01 180.10 3gta h HIS 144 N 0.78 0.33 -0.11 4.33 2.76 -0.76 -1.88 115.15 120.60 3gta h HIS 144 Ca 0.15 0.02 -0.18 0.00 -2.20 0.00 0.00 60.37 58.16 3gta h HIS 144 Cb 0.47 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.33 3gta h HIS 144 CO 0.03 0.16 -0.67 0.00 -1.30 0.00 0.00 177.93 176.15 3gta h ALA 145 N 1.21 0.64 -0.16 5.26 0.00 -1.00 -0.25 119.26 124.96 3gta h ALA 145 Ca 0.16 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 3gta h ALA 145 Cb 0.09 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3gta h ALA 145 CO -0.13 0.73 0.10 -0.22 0.00 0.00 0.00 179.25 179.74 3gta h LYS 146 N 0.32 0.22 0.00 0.00 3.64 -0.72 -3.22 116.57 116.81 3gta h LYS 146 Ca -0.02 -0.02 -0.34 0.00 -1.27 0.00 0.00 60.65 59.00 3gta h LYS 146 Cb 1.23 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.94 3gta h LYS 146 CO 0.12 0.19 -2.12 0.91 -2.27 0.00 0.00 179.45 176.28 3gta n TRP 147 N -4.95 0.43 -3.12 1.91 7.02 -0.72 -4.63 117.44 113.38 3gta n TRP 147 Ca -0.04 0.15 -0.22 0.00 -1.02 0.00 0.00 57.50 56.37 3gta n TRP 147 Cb 0.05 -1.08 -0.04 0.00 -2.42 0.00 0.00 31.31 27.82 3gta n TRP 147 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 3gta n PHE 148 N -2.92 1.65 0.28 -5.99 3.72 -0.11 -4.94 117.46 109.15 3gta n PHE 148 Ca -0.27 -3.88 0.11 0.00 -0.05 0.00 0.00 57.45 53.36 3gta n PHE 148 Cb 1.11 -0.45 0.52 0.00 -0.94 0.00 0.00 39.48 39.72 3gta n PHE 148 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3gta n PRO 149 N 0.22 0.16 0.00 -1.08 -0.04 -1.22 -2.05 135.00 130.99 3gta n PRO 149 Ca 0.27 0.52 0.14 0.00 -0.04 0.00 0.00 63.50 64.39 3gta n PRO 149 Cb 0.54 -1.89 0.56 0.00 -0.04 0.00 0.00 33.50 32.67 3gta n PRO 149 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3gta n GLY 150 N -0.65 -0.13 3.70 0.55 0.00 -1.26 -4.90 105.19 102.51 3gta n GLY 150 Ca 0.00 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 3gta n GLY 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gta h GLN 152 N 7.49 0.00 -0.21 0.00 1.08 -1.91 -1.76 115.11 119.79 3gta h GLN 152 Ca -0.42 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 56.77 3gta h GLN 152 Cb 1.20 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.62 3gta h GLN 152 CO 0.91 0.75 0.11 0.35 -0.95 0.00 0.00 178.83 180.00 3gta h PHE 153 N 0.00 0.29 -0.39 2.96 3.57 -1.96 -0.05 116.94 121.37 3gta h PHE 153 Ca -0.01 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.55 3gta h PHE 153 Cb 1.43 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 40.02 3gta h PHE 153 CO 0.00 0.27 0.05 1.25 -2.23 0.00 0.00 178.31 177.66 3gta h LEU 154 N 0.23 -0.04 -0.05 0.59 5.85 -1.90 -0.93 115.31 119.05 3gta h LEU 154 Ca 0.07 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 3gta h LEU 154 Cb 0.08 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 3gta h LEU 154 CO -0.01 0.01 0.03 0.25 -0.34 0.00 0.00 178.44 178.38 3gta h LEU 155 N 0.17 0.06 -0.91 2.25 5.85 -1.17 0.18 115.31 121.74 3gta h LEU 155 Ca 0.19 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 3gta h LEU 155 Cb 0.24 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 3gta h LEU 155 CO -0.27 0.10 0.51 -0.09 -0.34 0.00 0.00 178.44 178.35 3gta h ARG 156 N 0.01 1.27 -0.01 1.25 2.43 -0.84 0.38 114.38 118.86 3gta h ARG 156 Ca 0.02 -0.14 -0.14 0.00 -0.81 0.00 0.00 59.98 58.91 3gta h ARG 156 Cb 0.06 -0.25 0.01 0.00 -0.42 0.00 0.00 29.97 29.37 3gta h ARG 156 CO -0.00 0.92 -0.53 0.77 -1.51 0.00 0.00 179.97 179.62 3gta h SER 157 N 1.27 0.48 0.00 -3.80 0.02 -1.01 -3.40 113.55 107.11 3gta h SER 157 Ca 0.32 -0.75 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 3gta h SER 157 Cb 0.02 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.41 3gta h SER 157 CO -0.05 1.17 -1.36 0.29 -1.14 0.00 0.00 176.83 175.73 3gta n LYS 158 N -4.27 0.67 0.00 3.45 4.76 0.04 -5.10 118.16 117.71 3gta n LYS 158 Ca -0.10 -0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.26 3gta n LYS 158 Cb 0.63 -1.21 0.00 0.00 -1.84 0.00 0.00 35.03 32.61 3gta n LYS 158 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3gta n GLY 159 N 1.85 -1.08 0.21 0.72 0.00 0.12 -4.36 105.19 102.65 3gta n GLY 159 Ca -0.01 -1.59 -0.06 0.00 0.00 0.00 0.00 46.02 44.35 3gta n GLY 159 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3gta h GLN 160 N 0.00 0.46 -0.72 1.61 5.75 -1.93 -3.16 115.11 117.12 3gta h GLN 160 Ca 0.00 -0.25 -0.00 0.00 -0.15 0.00 0.00 58.65 58.25 3gta h GLN 160 Cb 0.00 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.53 3gta h GLN 160 CO 0.00 0.82 0.43 0.93 -2.65 0.00 0.00 178.83 178.36 3gta h GLU 161 N 0.37 0.97 -0.25 1.69 5.08 -1.98 0.31 114.58 120.76 3gta h GLU 161 Ca 0.02 -0.09 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3gta h GLU 161 Cb 0.94 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 3gta h GLU 161 CO 0.08 0.69 0.11 -0.92 -1.00 0.00 0.00 179.01 177.98 3gta h TYR 162 N 0.98 0.21 -0.34 4.33 3.20 -1.75 -1.15 116.97 122.46 3gta h TYR 162 Ca 0.26 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.11 3gta h TYR 162 Cb -0.03 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 3gta h TYR 162 CO -0.01 0.11 0.12 0.82 -1.64 0.00 0.00 178.16 177.57 3gta h ILE 163 N 0.25 1.20 -0.94 1.81 2.04 -1.42 -2.76 117.51 117.69 3gta h ILE 163 Ca 0.11 -0.62 0.04 0.00 1.00 0.00 0.00 64.86 65.39 3gta h ILE 163 Cb 0.04 0.96 -0.06 0.00 -0.74 0.00 0.00 36.82 37.03 3gta h ILE 163 CO -0.08 0.21 0.61 0.78 0.00 0.00 0.00 178.15 179.67 3gta h ASN 164 N 0.40 1.02 0.08 1.72 2.35 -0.80 -2.75 115.58 117.60 3gta h ASN 164 Ca 0.11 -0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.77 3gta h ASN 164 Cb 0.21 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 3gta h ASN 164 CO -0.01 0.70 -0.28 0.78 -1.65 0.00 0.00 177.43 176.97 3gta h ASN 165 N 1.19 0.33 0.30 5.81 2.35 -1.00 -2.60 115.58 121.97 3gta h ASN 165 Ca 0.38 -0.11 -0.11 0.00 -0.55 0.00 0.00 56.30 55.91 3gta h ASN 165 Cb 0.01 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 3gta h ASN 165 CO -0.12 0.61 -0.44 0.40 -1.65 0.00 0.00 177.43 176.23 3gta h ILE 166 N 0.29 1.32 -0.02 2.81 2.04 -1.21 -3.52 117.51 119.22 3gta h ILE 166 Ca 0.04 -1.58 0.00 0.00 1.00 0.00 0.00 64.86 64.33 3gta h ILE 166 Cb 0.66 1.76 0.00 0.00 -0.74 0.00 0.00 36.82 38.49 3gta h ILE 166 CO 0.05 0.46 0.00 1.41 0.00 0.00 0.00 178.15 180.07