#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8d s ILE 63 N 0.00 1.62 -0.68 3.84 1.01 -1.26 -5.06 121.20 120.67 3i8d s ILE 63 Ca 0.00 -0.83 -0.19 0.00 0.00 0.00 0.00 60.65 59.62 3i8d s ILE 63 Cb 0.00 -1.38 0.11 0.00 0.01 0.00 0.00 42.46 41.20 3i8d s ILE 63 CO 0.00 0.46 0.85 -0.63 0.00 0.00 0.00 174.94 175.62 3i8d s ILE 64 N -0.09 4.73 0.35 2.92 1.01 -1.26 -4.90 121.20 123.95 3i8d s ILE 64 Ca -0.02 -1.03 0.11 0.00 0.00 0.00 0.00 60.65 59.72 3i8d s ILE 64 Cb -0.12 -4.59 0.07 0.00 0.01 0.00 0.00 42.46 37.83 3i8d s ILE 64 CO 0.02 -1.27 1.78 -0.50 0.00 0.00 0.00 174.94 174.97 3i8d h TRP 65 N 9.14 0.04 -1.28 3.97 4.06 -1.97 -3.31 115.95 126.59 3i8d h TRP 65 Ca -0.19 -0.01 -0.67 0.00 2.06 0.00 0.00 58.89 60.07 3i8d h TRP 65 Cb 1.07 -0.01 -0.11 0.00 -1.00 0.00 0.00 29.16 29.11 3i8d h TRP 65 CO 0.94 0.44 1.79 -1.21 -3.56 0.00 0.00 178.44 176.84 3i8d s GLU 66 N -4.11 3.90 0.34 0.49 0.41 -1.26 -3.26 118.70 115.20 3i8d s GLU 66 Ca -0.03 -1.91 -0.14 0.00 -0.41 0.00 0.00 54.97 52.48 3i8d s GLU 66 Cb 0.14 -5.36 0.03 0.00 -1.78 0.00 0.00 34.13 27.16 3i8d s GLU 66 CO 0.74 -2.12 0.67 -1.54 -0.49 0.00 0.00 175.26 172.52 3i8d s SER 67 N 4.07 0.11 -0.11 -0.19 1.04 -1.25 -4.34 113.70 113.04 3i8d s SER 67 Ca 0.49 -1.07 -0.00 0.00 0.48 0.00 0.00 55.95 55.84 3i8d s SER 67 Cb 0.01 0.75 -0.03 0.00 0.10 0.00 0.00 66.02 66.86 3i8d s SER 67 CO 0.01 -1.47 -0.08 -0.22 0.98 0.00 0.00 173.24 172.46 3i8d s LEU 68 N -3.06 3.04 -0.08 2.42 2.96 -0.30 -1.51 118.68 122.15 3i8d s LEU 68 Ca 0.18 -0.14 0.01 0.00 -0.22 0.00 0.00 54.13 53.96 3i8d s LEU 68 Cb -0.04 -1.68 -0.02 0.00 0.50 0.00 0.00 46.19 44.94 3i8d s LEU 68 CO 0.12 0.26 -0.11 -0.44 -1.32 0.00 0.00 176.35 174.85 3i8d s SER 69 N -0.18 4.23 -0.02 3.68 0.01 -0.00 0.43 113.70 121.85 3i8d s SER 69 Ca 0.02 -0.18 0.08 0.00 1.31 0.00 0.00 55.95 57.17 3i8d s SER 69 Cb -0.13 -1.19 -0.02 0.00 0.21 0.00 0.00 66.02 64.89 3i8d s SER 69 CO 0.03 0.29 -0.26 0.68 0.41 0.00 0.00 173.24 174.39 3i8d s VAL 70 N -0.39 2.03 0.01 3.43 -7.23 -0.75 -0.22 120.40 117.28 3i8d s VAL 70 Ca 0.05 -1.09 -0.02 0.00 -1.81 0.00 0.00 61.98 59.10 3i8d s VAL 70 Cb -0.12 -1.68 -0.01 0.00 0.56 0.00 0.00 36.38 35.12 3i8d s VAL 70 CO 0.02 0.57 0.03 -1.81 -0.31 0.00 0.00 175.10 173.61 3i8d s ASP 71 N -0.55 0.13 0.00 4.85 1.01 -0.43 -4.63 116.67 117.06 3i8d s ASP 71 Ca 0.08 -0.32 0.01 0.00 0.71 0.00 0.00 52.55 53.04 3i8d s ASP 71 Cb -0.10 0.13 -0.04 0.00 1.01 0.00 0.00 42.92 43.92 3i8d s ASP 71 CO -0.00 -0.27 0.03 0.54 0.21 0.00 0.00 175.17 175.67 3i8d s VAL 72 N -1.20 4.32 -0.15 -1.27 0.11 -1.26 -1.56 120.40 119.39 3i8d s VAL 72 Ca -0.13 -0.57 0.00 0.00 -2.93 0.00 0.00 61.98 58.35 3i8d s VAL 72 Cb -0.08 -2.95 -0.00 0.00 -1.53 0.00 0.00 36.38 31.82 3i8d s VAL 72 CO -0.00 0.35 -0.16 -0.83 -3.33 0.00 0.00 175.10 171.13 3i8d s GLY 73 N -1.67 1.46 -0.30 6.54 0.00 0.15 -4.60 107.32 108.90 3i8d s GLY 73 Ca 0.21 -1.05 -0.12 0.00 0.00 0.00 0.00 44.72 43.76 3i8d s GLY 73 CO 0.12 0.02 0.71 -0.45 0.00 0.00 0.00 173.10 173.50 3i8d s SER 74 N 0.81 -1.02 0.00 1.64 0.15 -1.26 -1.11 113.70 112.91 3i8d s SER 74 Ca -0.05 1.44 0.00 0.00 0.70 0.00 0.00 55.95 58.04 3i8d s SER 74 Cb -0.15 2.05 0.00 0.00 -1.71 0.00 0.00 66.02 66.21 3i8d s SER 74 CO -0.00 -0.21 0.00 0.00 1.20 0.00 0.00 173.24 174.23 3i8d n GLN 75 N 5.16 0.00 -1.68 5.44 0.00 -1.26 -4.97 117.38 120.08 3i8d n GLN 75 Ca -0.13 0.00 -0.45 0.00 0.00 0.00 0.00 57.00 56.42 3i8d n GLN 75 Cb 0.51 0.00 -0.04 0.00 0.00 0.00 0.00 30.24 30.71 3i8d n GLN 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3i8d n GLY 76 N 3.18 1.16 2.75 2.61 0.00 -1.26 -4.98 105.19 108.66 3i8d n GLY 76 Ca 0.00 0.63 -0.18 0.00 0.00 0.00 0.00 46.02 46.47 3i8d n GLY 76 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i8d s ASN 77 N 0.88 1.48 0.69 1.61 2.47 -1.26 -2.27 114.94 118.54 3i8d s ASN 77 Ca 0.77 -0.39 -0.14 0.00 0.42 0.00 0.00 52.86 53.51 3i8d s ASN 77 Cb -0.64 0.44 0.02 0.00 -1.45 0.00 0.00 41.25 39.61 3i8d s ASN 77 CO 0.38 -0.35 1.13 -2.84 -3.72 0.00 0.00 177.10 171.70 3i8d s PRO 78 N 2.34 2.56 0.00 0.43 0.02 -1.26 -5.02 135.00 134.07 3i8d s PRO 78 Ca 0.08 1.44 0.00 0.00 0.02 0.00 0.00 61.00 62.55 3i8d s PRO 78 Cb -0.15 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.45 3i8d s PRO 78 CO -0.20 -1.45 0.00 0.41 -0.33 0.00 0.00 177.00 175.43 3i8d n GLY 79 N -0.39 -0.60 3.75 0.52 0.00 -0.51 -4.92 105.19 103.04 3i8d n GLY 79 Ca 0.11 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 3i8d n GLY 79 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i8d s ILE 80 N -3.60 3.01 0.01 -0.61 1.01 -1.12 -0.13 121.20 119.77 3i8d s ILE 80 Ca 0.00 0.93 0.02 0.00 0.00 0.00 0.00 60.65 61.59 3i8d s ILE 80 Cb 0.00 -3.59 -0.01 0.00 0.01 0.00 0.00 42.46 38.87 3i8d s ILE 80 CO 0.00 0.18 -0.06 0.68 0.00 0.00 0.00 174.94 175.75 3i8d s VAL 81 N -0.56 0.43 0.24 2.92 -7.23 -0.29 -4.22 120.40 111.69 3i8d s VAL 81 Ca 0.52 -0.43 0.01 0.00 -1.81 0.00 0.00 61.98 60.27 3i8d s VAL 81 Cb -0.38 -0.40 -0.04 0.00 0.56 0.00 0.00 36.38 36.12 3i8d s VAL 81 CO 0.45 -0.01 0.17 -1.83 -0.31 0.00 0.00 175.10 173.56 3i8d s GLU 82 N -0.49 1.36 0.18 4.82 -1.05 -0.26 0.64 118.70 123.90 3i8d s GLU 82 Ca -0.01 -1.74 -0.23 0.00 -0.15 0.00 0.00 54.97 52.83 3i8d s GLU 82 Cb -0.04 0.25 0.06 0.00 -0.44 0.00 0.00 34.13 33.96 3i8d s GLU 82 CO -0.00 -0.46 0.66 1.52 0.95 0.00 0.00 175.26 177.94 3i8d s TYR 83 N -3.94 -0.42 0.11 4.83 -0.85 -1.07 -0.68 117.35 115.32 3i8d s TYR 83 Ca 0.39 0.15 -0.15 0.00 -0.52 0.00 0.00 57.07 56.95 3i8d s TYR 83 Cb 0.06 0.60 0.03 0.00 0.38 0.00 0.00 41.96 43.02 3i8d s TYR 83 CO 0.16 -0.93 0.36 -1.59 -1.52 0.00 0.00 175.55 172.04 3i8d s LYS 84 N -3.73 1.01 -0.08 -3.49 -2.85 -0.60 -0.64 119.74 109.35 3i8d s LYS 84 Ca 0.04 -0.72 0.03 0.00 -1.00 0.00 0.00 55.97 54.32 3i8d s LYS 84 Cb -0.02 0.44 0.01 0.00 -2.06 0.00 0.00 37.83 36.19 3i8d s LYS 84 CO -0.07 -0.38 -0.18 0.20 0.10 0.00 0.00 175.35 175.02 3i8d s GLY 85 N -2.73 1.06 0.16 0.59 0.00 0.12 -1.32 107.32 105.21 3i8d s GLY 85 Ca 0.02 -0.69 0.07 0.00 0.00 0.00 0.00 44.72 44.12 3i8d s GLY 85 CO -0.11 -0.12 -0.15 -1.34 0.00 0.00 0.00 173.10 171.38 3i8d s VAL 86 N 0.48 1.56 -0.09 1.40 -7.23 0.70 -0.28 120.40 116.94 3i8d s VAL 86 Ca -0.16 -1.93 -0.30 0.00 -1.81 0.00 0.00 61.98 57.78 3i8d s VAL 86 Cb -0.17 -1.78 -0.04 0.00 0.56 0.00 0.00 36.38 34.95 3i8d s VAL 86 CO 0.06 -0.46 1.49 -0.62 -0.31 0.00 0.00 175.10 175.26 3i8d s ASP 87 N -2.80 6.78 0.53 4.85 3.68 -0.28 -0.82 116.67 128.61 3i8d s ASP 87 Ca 0.15 2.03 0.20 0.00 2.13 0.00 0.00 52.55 57.07 3i8d s ASP 87 Cb -0.03 -2.54 1.35 0.00 -1.45 0.00 0.00 42.92 40.25 3i8d s ASP 87 CO 0.05 -0.85 2.10 0.74 0.13 0.00 0.00 175.17 177.34 3i8d h THR 88 N 5.48 0.86 0.00 1.71 2.02 -1.47 0.19 112.91 121.71 3i8d h THR 88 Ca -0.35 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 66.77 3i8d h THR 88 Cb 1.15 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 68.45 3i8d h THR 88 CO 0.95 0.00 -0.48 0.50 0.37 0.00 0.00 175.52 176.86 3i8d h LYS 89 N 0.00 0.00 0.00 6.66 3.64 -1.79 -3.40 116.57 121.68 3i8d h LYS 89 Ca 0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3i8d h LYS 89 Cb 0.38 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 3i8d h LYS 89 CO -0.00 0.48 -0.82 1.79 -2.27 0.00 0.00 179.45 178.63 3i8d h THR 90 N -1.00 0.00 0.00 1.00 1.35 -1.90 -3.47 112.91 108.89 3i8d h THR 90 Ca -0.09 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 3i8d h THR 90 Cb 0.71 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 68.30 3i8d h THR 90 CO -0.06 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.82 3i8d n GLY 91 N 1.29 0.44 3.66 5.82 0.00 0.66 -4.99 105.19 112.08 3i8d n GLY 91 Ca 0.02 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.56 3i8d n GLY 91 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3i8d n GLU 92 N -1.72 1.96 -2.51 1.61 2.13 -1.26 -4.61 120.64 116.24 3i8d n GLU 92 Ca 0.00 0.71 -0.43 0.00 0.66 0.00 0.00 57.16 58.10 3i8d n GLU 92 Cb 0.11 -2.47 -0.02 0.00 0.27 0.00 0.00 31.44 29.33 3i8d n GLU 92 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3i8d s VAL 93 N 1.44 4.41 -0.16 6.31 1.01 -1.26 -1.13 120.40 131.02 3i8d s VAL 93 Ca 0.83 1.69 0.12 0.00 0.00 0.00 0.00 61.98 64.62 3i8d s VAL 93 Cb -0.74 -4.14 -0.23 0.00 0.00 0.00 0.00 36.38 31.27 3i8d s VAL 93 CO 0.42 -0.20 0.22 0.18 0.00 0.00 0.00 175.10 175.73 3i8d n LEU 94 N 6.62 0.93 -3.63 3.92 7.99 0.61 -4.98 117.00 128.46 3i8d n LEU 94 Ca 0.13 0.12 -0.10 0.00 -0.01 0.00 0.00 56.01 56.15 3i8d n LEU 94 Cb 0.45 0.05 -0.04 0.00 -0.11 0.00 0.00 43.42 43.78 3i8d n LEU 94 CO 0.55 0.56 0.23 0.72 -1.51 0.00 0.00 177.39 177.95 3i8d s PHE 95 N -2.53 -0.23 -0.23 -1.77 -0.12 -1.09 -5.00 117.98 107.00 3i8d s PHE 95 Ca -0.13 -0.07 -0.21 0.00 -0.05 0.00 0.00 56.93 56.47 3i8d s PHE 95 Cb 0.07 0.35 0.06 0.00 -0.63 0.00 0.00 43.02 42.87 3i8d s PHE 95 CO 0.79 -0.79 0.62 -2.00 -0.05 0.00 0.00 175.22 173.79 3i8d s GLU 96 N -3.82 0.71 -0.18 1.99 2.12 -1.26 -0.70 118.70 117.56 3i8d s GLU 96 Ca 0.04 0.89 -0.04 0.00 0.36 0.00 0.00 54.97 56.23 3i8d s GLU 96 Cb 0.01 0.32 -0.02 0.00 0.26 0.00 0.00 34.13 34.70 3i8d s GLU 96 CO -0.10 -0.09 -0.04 0.50 -0.54 0.00 0.00 175.26 174.99 3i8d s ARG 97 N 0.48 3.53 0.90 4.30 6.06 0.19 -5.00 118.95 129.42 3i8d s ARG 97 Ca -0.01 -0.57 -0.12 0.00 -2.50 0.00 0.00 55.73 52.53 3i8d s ARG 97 Cb -0.05 -2.95 0.13 0.00 0.06 0.00 0.00 34.95 32.15 3i8d s ARG 97 CO -0.01 0.04 1.09 -1.83 -2.50 0.00 0.00 175.30 172.09 3i8d s GLU 98 N 0.87 1.21 0.27 5.12 -1.05 -1.26 -2.61 118.70 121.26 3i8d s GLU 98 Ca -0.01 0.72 -0.30 0.00 -0.15 0.00 0.00 54.97 55.23 3i8d s GLU 98 Cb -0.15 -1.81 -0.11 0.00 -0.44 0.00 0.00 34.13 31.62 3i8d s GLU 98 CO 0.01 -2.25 1.60 -2.14 0.95 0.00 0.00 175.26 173.44 3i8d s PRO 99 N -4.99 4.14 -0.25 -4.83 0.02 -1.26 -4.73 135.00 123.10 3i8d s PRO 99 Ca 0.63 2.56 -0.12 0.00 0.02 0.00 0.00 61.00 64.09 3i8d s PRO 99 Cb -0.17 -3.04 -0.05 0.00 0.02 0.00 0.00 34.50 31.26 3i8d s PRO 99 CO 0.56 -0.63 0.22 0.42 -0.33 0.00 0.00 177.00 177.24 3i8d s ILE 100 N 0.21 5.30 0.32 2.83 1.01 0.21 -4.93 121.20 126.14 3i8d s ILE 100 Ca 0.65 0.28 0.07 0.00 0.00 0.00 0.00 60.65 61.65 3i8d s ILE 100 Cb -0.47 -3.56 0.31 0.00 0.01 0.00 0.00 42.46 38.75 3i8d s ILE 100 CO 0.45 0.28 1.80 -0.65 0.00 0.00 0.00 174.94 176.82 3i8d h PRO 101 N 7.83 0.73 -3.51 2.79 0.11 -1.87 -0.75 132.00 137.33 3i8d h PRO 101 Ca -0.36 -0.04 -0.44 0.00 0.11 0.00 0.00 66.00 65.27 3i8d h PRO 101 Cb 1.17 -0.16 -0.39 0.00 0.11 0.00 0.00 31.00 31.73 3i8d h PRO 101 CO 0.63 0.48 -0.76 0.42 -0.21 0.00 0.00 178.00 178.56 3i8d s ILE 102 N -5.80 0.24 0.15 4.15 1.01 -1.25 -2.80 121.20 116.90 3i8d s ILE 102 Ca -0.11 0.04 -0.04 0.00 0.00 0.00 0.00 60.65 60.53 3i8d s ILE 102 Cb 0.24 -0.54 0.02 0.00 0.01 0.00 0.00 42.46 42.19 3i8d s ILE 102 CO 0.80 0.09 0.28 0.61 0.00 0.00 0.00 174.94 176.72 3i8d n GLY 103 N 5.18 1.96 3.60 6.18 0.00 0.81 -4.46 105.19 118.48 3i8d n GLY 103 Ca -0.06 -1.23 -0.24 0.00 0.00 0.00 0.00 46.02 44.49 3i8d n GLY 103 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i8d s THR 104 N -2.62 3.24 0.23 2.61 -4.23 -1.26 -1.43 115.64 112.18 3i8d s THR 104 Ca 0.08 -1.97 -0.08 0.00 -1.18 0.00 0.00 61.69 58.54 3i8d s THR 104 Cb -0.01 -2.71 0.25 0.00 1.34 0.00 0.00 72.50 71.37 3i8d s THR 104 CO 0.06 -0.34 1.64 -0.55 -0.54 0.00 0.00 174.62 174.89 3i8d h ASN 105 N 2.10 -0.34 -0.16 3.99 -1.07 -1.94 -0.25 115.58 117.90 3i8d h ASN 105 Ca -0.44 0.18 -0.16 0.00 0.07 0.00 0.00 56.30 55.96 3i8d h ASN 105 Cb 1.25 0.33 0.00 0.00 -2.07 0.00 0.00 38.32 37.83 3i8d h ASN 105 CO 0.59 -0.16 -0.51 0.78 0.07 0.00 0.00 177.43 178.20 3i8d h ASN 106 N 0.10 0.74 -0.98 6.14 2.35 -1.98 -0.62 115.58 121.33 3i8d h ASN 106 Ca 0.38 -0.60 0.06 0.00 -0.55 0.00 0.00 56.30 55.60 3i8d h ASN 106 Cb 0.65 -0.21 -0.07 0.00 0.05 0.00 0.00 38.32 38.74 3i8d h ASN 106 CO -0.63 1.20 0.63 0.24 -1.65 0.00 0.00 177.43 177.22 3i8d h MET 107 N 0.31 1.10 -0.40 0.81 2.86 -1.92 0.18 114.93 117.86 3i8d h MET 107 Ca -0.02 -0.07 -0.08 0.00 -2.06 0.00 0.00 59.70 57.47 3i8d h MET 107 Cb 1.14 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 32.53 3i8d h MET 107 CO 0.11 0.73 -0.07 0.78 1.06 0.00 0.00 176.91 179.52 3i8d h GLY 108 N 1.14 0.82 1.83 8.32 0.00 -0.74 -1.11 103.07 113.33 3i8d h GLY 108 Ca 0.42 -0.65 -0.15 0.00 0.00 0.00 0.00 47.33 46.95 3i8d h GLY 108 CO -0.17 0.60 -0.63 -2.09 0.00 0.00 0.00 176.54 174.24 3i8d h GLU 109 N 0.58 0.17 -0.49 4.80 4.57 -0.94 -0.06 114.58 123.21 3i8d h GLU 109 Ca 0.11 -0.12 -0.03 0.00 -1.18 0.00 0.00 59.36 58.13 3i8d h GLU 109 Cb 0.58 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.17 3i8d h GLU 109 CO 0.03 0.74 0.17 0.35 -1.18 0.00 0.00 179.01 179.13 3i8d h PHE 110 N 0.12 0.77 -0.96 0.92 3.57 -0.68 -1.06 116.94 119.62 3i8d h PHE 110 Ca -0.01 -0.07 0.02 0.00 3.53 0.00 0.00 57.97 61.44 3i8d h PHE 110 Cb 1.14 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 39.60 3i8d h PHE 110 CO 0.02 0.66 0.63 -0.07 -2.23 0.00 0.00 178.31 177.32 3i8d h LEU 111 N 0.65 1.08 -0.42 0.59 3.38 -0.91 -1.61 115.31 118.06 3i8d h LEU 111 Ca 0.16 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 3i8d h LEU 111 Cb 0.24 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3i8d h LEU 111 CO -0.01 0.76 0.04 0.00 0.09 0.00 0.00 178.44 179.32 3i8d h ALA 112 N 1.42 0.57 -0.24 1.53 0.00 -0.47 0.20 119.26 122.27 3i8d h ALA 112 Ca 0.36 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3i8d h ALA 112 Cb -0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3i8d h ALA 112 CO -0.09 0.32 0.09 0.82 0.00 0.00 0.00 179.25 180.39 3i8d h ILE 113 N 0.57 1.18 -0.49 0.00 2.04 -0.90 -0.30 117.51 119.61 3i8d h ILE 113 Ca 0.12 -0.54 -0.10 0.00 1.00 0.00 0.00 64.86 65.35 3i8d h ILE 113 Cb 0.43 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 3i8d h ILE 113 CO 0.01 0.18 -0.08 0.58 0.00 0.00 0.00 178.15 178.84 3i8d h VAL 114 N 0.23 1.26 -0.88 1.67 2.07 -1.11 0.27 116.25 119.75 3i8d h VAL 114 Ca 0.08 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.43 3i8d h VAL 114 Cb 0.19 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 3i8d h VAL 114 CO -0.01 0.41 0.55 -0.74 0.02 0.00 0.00 177.57 177.81 3i8d h HIS 115 N 0.79 1.14 -0.67 1.57 -0.00 -0.46 -0.90 115.15 116.62 3i8d h HIS 115 Ca 0.13 0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.54 3i8d h HIS 115 Cb 0.59 -0.38 -0.04 0.00 -0.00 0.00 0.00 27.41 27.58 3i8d h HIS 115 CO 0.03 0.74 0.42 0.78 -0.00 0.00 0.00 177.93 179.90 3i8d h GLY 116 N 1.20 0.96 0.98 5.26 0.00 -0.23 0.65 103.07 111.88 3i8d h GLY 116 Ca 0.32 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3i8d h GLY 116 CO -0.06 0.27 0.27 1.41 0.00 0.00 0.00 176.54 178.43 3i8d h LEU 117 N 0.82 0.66 -0.67 3.11 3.38 -0.19 -0.50 115.31 121.92 3i8d h LEU 117 Ca 0.26 -0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.19 3i8d h LEU 117 Cb 0.00 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.53 3i8d h LEU 117 CO -0.10 0.57 0.36 0.03 0.09 0.00 0.00 178.44 179.40 3i8d h ARG 118 N 0.69 0.65 -0.44 1.13 3.08 -0.84 -0.28 114.38 118.36 3i8d h ARG 118 Ca 0.18 -0.04 -0.12 0.00 0.07 0.00 0.00 59.98 60.07 3i8d h ARG 118 Cb 0.07 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 3i8d h ARG 118 CO -0.03 0.43 -0.18 -0.92 -1.07 0.00 0.00 179.97 178.20 3i8d h TYR 119 N 0.66 1.03 -0.11 3.04 3.20 -0.57 -1.26 116.97 122.96 3i8d h TYR 119 Ca 0.31 -0.25 -0.22 0.00 3.14 0.00 0.00 58.73 61.72 3i8d h TYR 119 Cb 0.22 -0.24 0.01 0.00 1.54 0.00 0.00 36.73 38.25 3i8d h TYR 119 CO -0.08 1.03 -0.79 -0.07 -1.64 0.00 0.00 178.16 176.60 3i8d h LEU 120 N 0.73 0.79 -0.69 2.82 3.38 -1.00 -2.88 115.31 118.45 3i8d h LEU 120 Ca 0.10 -0.53 -0.10 0.00 0.09 0.00 0.00 57.88 57.45 3i8d h LEU 120 Cb 0.74 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3i8d h LEU 120 CO 0.06 1.31 -0.03 0.50 0.09 0.00 0.00 178.44 180.37 3i8d h LYS 121 N 0.44 0.99 -0.13 1.13 3.64 -0.82 -0.90 116.57 120.91 3i8d h LYS 121 Ca -0.05 -0.31 -0.02 0.00 -1.27 0.00 0.00 60.65 58.99 3i8d h LYS 121 Cb 1.41 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.13 3i8d h LYS 121 CO 0.15 0.99 -0.03 0.93 -2.27 0.00 0.00 179.45 179.22 3i8d h GLU 122 N 0.90 0.19 -0.47 1.90 5.08 -1.14 -0.73 114.58 120.31 3i8d h GLU 122 Ca 0.16 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3i8d h GLU 122 Cb 0.56 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3i8d h GLU 122 CO 0.03 0.24 0.00 0.54 -1.00 0.00 0.00 179.01 178.82 3i8d n ARG 123 N -4.39 2.13 -4.23 2.33 1.74 -0.99 -4.95 116.66 108.29 3i8d n ARG 123 Ca -0.01 -1.75 -0.36 0.00 -0.77 0.00 0.00 57.85 54.95 3i8d n ARG 123 Cb 0.18 -1.39 -0.03 0.00 -1.02 0.00 0.00 32.46 30.20 3i8d n ARG 123 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3i8d n ASN 124 N 0.93 -3.12 -4.83 0.55 4.13 -0.28 -4.93 115.26 107.71 3i8d n ASN 124 Ca 0.17 -1.02 -0.36 0.00 1.68 0.00 0.00 54.58 55.04 3i8d n ASN 124 Cb 0.42 -2.70 -0.06 0.00 -1.54 0.00 0.00 39.78 35.89 3i8d n ASN 124 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 3i8d s SER 125 N -3.33 6.91 0.00 6.41 0.15 -0.42 -4.97 113.70 118.45 3i8d s SER 125 Ca 0.72 1.16 0.22 0.00 0.70 0.00 0.00 55.95 58.75 3i8d s SER 125 Cb -0.39 -2.32 0.53 0.00 -1.71 0.00 0.00 66.02 62.13 3i8d s SER 125 CO 0.93 0.14 1.46 0.54 1.20 0.00 0.00 173.24 177.51 3i8d n ARG 126 N 1.03 2.48 -2.20 5.44 1.74 -1.26 -4.72 116.66 119.16 3i8d n ARG 126 Ca -0.06 -2.26 -0.36 0.00 -0.77 0.00 0.00 57.85 54.40 3i8d n ARG 126 Cb 0.51 -1.51 0.01 0.00 -1.02 0.00 0.00 32.46 30.45 3i8d n ARG 126 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3i8d s LYS 127 N -1.33 3.36 0.65 5.56 1.02 -1.26 -4.86 119.74 122.87 3i8d s LYS 127 Ca 0.41 1.71 -0.08 0.00 0.02 0.00 0.00 55.97 58.03 3i8d s LYS 127 Cb 0.23 -2.08 0.02 0.00 -0.52 0.00 0.00 37.83 35.48 3i8d s LYS 127 CO 0.31 -0.87 0.99 -1.25 -0.92 0.00 0.00 175.35 173.62 3i8d s PRO 128 N -3.16 2.75 -0.12 -1.68 0.04 -1.26 -4.63 135.00 126.94 3i8d s PRO 128 Ca 0.72 0.12 -0.04 0.00 0.04 0.00 0.00 61.00 61.84 3i8d s PRO 128 Cb -0.27 -2.16 -0.04 0.00 0.04 0.00 0.00 34.50 32.08 3i8d s PRO 128 CO 0.30 -0.93 0.04 0.42 0.04 0.00 0.00 177.00 176.88 3i8d s ILE 129 N -3.18 4.65 -0.03 0.56 1.01 -0.45 -1.15 121.20 122.62 3i8d s ILE 129 Ca 0.56 -0.11 0.00 0.00 0.00 0.00 0.00 60.65 61.11 3i8d s ILE 129 Cb -0.11 -3.01 -0.03 0.00 0.01 0.00 0.00 42.46 39.31 3i8d s ILE 129 CO 0.47 0.56 0.01 -0.31 0.00 0.00 0.00 174.94 175.68 3i8d s TYR 130 N -0.51 3.12 0.01 3.97 1.51 0.17 -0.38 117.35 125.24 3i8d s TYR 130 Ca 0.10 0.13 0.00 0.00 -1.01 0.00 0.00 57.07 56.29 3i8d s TYR 130 Cb -0.12 -1.72 -0.01 0.00 -0.11 0.00 0.00 41.96 40.00 3i8d s TYR 130 CO 0.02 0.47 -0.02 0.45 -1.11 0.00 0.00 175.55 175.36 3i8d s SER 131 N -1.34 0.15 -0.16 2.29 0.15 -0.66 -1.81 113.70 112.32 3i8d s SER 131 Ca 0.18 -0.30 0.12 0.00 0.70 0.00 0.00 55.95 56.64 3i8d s SER 131 Cb -0.11 0.06 0.62 0.00 -1.71 0.00 0.00 66.02 64.88 3i8d s SER 131 CO 0.08 -0.18 1.46 -0.46 1.20 0.00 0.00 173.24 175.34 3i8d n ASN 132 N 2.19 4.49 -4.17 5.45 0.23 -1.26 -0.21 115.26 121.98 3i8d n ASN 132 Ca -0.19 -2.64 -0.36 0.00 -0.53 0.00 0.00 54.58 50.86 3i8d n ASN 132 Cb 0.57 -0.62 -0.12 0.00 -2.08 0.00 0.00 39.78 37.53 3i8d n ASN 132 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 3i8d s SER 133 N -0.64 5.14 0.23 0.53 0.15 -1.26 -4.87 113.70 112.97 3i8d s SER 133 Ca 0.42 -1.57 -0.08 0.00 0.70 0.00 0.00 55.95 55.41 3i8d s SER 133 Cb 0.31 -1.79 0.38 0.00 -1.71 0.00 0.00 66.02 63.20 3i8d s SER 133 CO 0.14 -0.40 1.66 -0.61 1.20 0.00 0.00 173.24 175.23 3i8d h GLN 134 N 8.07 0.13 0.25 5.44 5.75 -1.98 -1.40 115.11 131.36 3i8d h GLN 134 Ca -0.18 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.30 3i8d h GLN 134 Cb 1.06 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.58 3i8d h GLN 134 CO 0.62 0.09 -0.12 1.15 -2.65 0.00 0.00 178.83 177.92 3i8d h THR 135 N 0.13 0.81 -0.29 2.39 2.02 -2.00 -1.68 112.91 114.30 3i8d h THR 135 Ca 0.37 -0.51 -0.07 0.00 0.77 0.00 0.00 66.41 66.97 3i8d h THR 135 Cb 0.63 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 68.13 3i8d h THR 135 CO -0.58 0.11 -0.13 0.00 0.37 0.00 0.00 175.52 175.29 3i8d h ALA 136 N 0.07 1.23 -0.45 6.16 0.00 -1.83 -0.61 119.26 123.84 3i8d h ALA 136 Ca -0.03 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 3i8d h ALA 136 Cb 0.43 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3i8d h ALA 136 CO 0.06 0.50 0.02 0.82 0.00 0.00 0.00 179.25 180.64 3i8d h ILE 137 N 0.46 1.26 -0.31 0.00 2.04 -1.24 -1.46 117.51 118.26 3i8d h ILE 137 Ca 0.08 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 64.93 3i8d h ILE 137 Cb 0.51 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 3i8d h ILE 137 CO 0.03 0.35 0.20 0.50 0.00 0.00 0.00 178.15 179.23 3i8d h LYS 138 N 0.63 0.41 -0.80 2.37 3.64 -0.61 -1.04 116.57 121.18 3i8d h LYS 138 Ca 0.13 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.53 3i8d h LYS 138 Cb 0.47 -0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 32.15 3i8d h LYS 138 CO 0.02 0.29 0.49 -1.49 -2.27 0.00 0.00 179.45 176.49 3i8d h TRP 139 N 0.41 0.91 -0.30 1.91 4.06 -0.93 0.17 115.95 122.19 3i8d h TRP 139 Ca 0.11 0.03 -0.02 0.00 2.06 0.00 0.00 58.89 61.07 3i8d h TRP 139 Cb -0.03 -0.29 -0.01 0.00 -1.00 0.00 0.00 29.16 27.83 3i8d h TRP 139 CO -0.05 0.47 0.11 0.28 -3.56 0.00 0.00 178.44 175.70 3i8d h VAL 140 N 0.91 1.18 -0.64 1.49 2.07 -1.05 0.48 116.25 120.70 3i8d h VAL 140 Ca 0.34 -0.57 0.10 0.00 0.82 0.00 0.00 66.70 67.39 3i8d h VAL 140 Cb 0.13 1.01 -0.07 0.00 -1.52 0.00 0.00 31.29 30.83 3i8d h VAL 140 CO -0.16 0.20 0.25 0.50 0.02 0.00 0.00 177.57 178.38 3i8d h LYS 141 N 0.33 0.42 0.00 1.57 3.64 -0.28 -1.27 116.57 120.98 3i8d h LYS 141 Ca 0.10 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3i8d h LYS 141 Cb 0.20 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 3i8d h LYS 141 CO -0.01 0.28 0.00 -0.25 -2.27 0.00 0.00 179.45 177.20 3i8d n ASP 142 N -4.98 0.59 -3.36 4.20 8.00 0.52 -4.92 116.55 116.60 3i8d n ASP 142 Ca 0.10 0.58 -0.24 0.00 0.71 0.00 0.00 54.79 55.93 3i8d n ASP 142 Cb 0.29 -0.73 0.03 0.00 -0.02 0.00 0.00 41.12 40.69 3i8d n ASP 142 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3i8d n LYS 143 N -2.08 -5.21 -3.58 -1.24 5.02 -0.02 -4.97 118.16 106.08 3i8d n LYS 143 Ca 0.05 0.74 -0.05 0.00 -2.02 0.00 0.00 58.31 57.03 3i8d n LYS 143 Cb 0.35 -5.61 -0.07 0.00 -0.02 0.00 0.00 35.03 29.68 3i8d n LYS 143 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3i8d s LYS 144 N -6.05 0.43 -0.74 1.97 2.47 -0.18 -4.87 119.74 112.77 3i8d s LYS 144 Ca 0.44 1.11 -0.22 0.00 -1.56 0.00 0.00 55.97 55.75 3i8d s LYS 144 Cb -0.21 0.44 0.08 0.00 -1.46 0.00 0.00 37.83 36.68 3i8d s LYS 144 CO 0.55 -0.31 1.03 0.00 0.16 0.00 0.00 175.35 176.77 3i8d s ALA 145 N 2.72 3.16 -0.88 3.13 0.00 -1.26 -4.44 121.76 124.18 3i8d s ALA 145 Ca 0.01 -2.09 -0.06 0.00 0.00 0.00 0.00 51.96 49.82 3i8d s ALA 145 Cb -0.13 -3.94 0.01 0.00 0.00 0.00 0.00 23.12 19.06 3i8d s ALA 145 CO -0.16 -2.87 2.80 1.63 0.00 0.00 0.00 175.76 177.17 3i8d n LYS 146 N 7.48 3.35 -2.51 0.00 5.02 -1.26 -4.93 118.16 125.30 3i8d n LYS 146 Ca 0.05 -2.51 -0.39 0.00 -2.02 0.00 0.00 58.31 53.44 3i8d n LYS 146 Cb 0.47 -2.40 -0.04 0.00 -0.02 0.00 0.00 35.03 33.03 3i8d n LYS 146 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3i8d s SER 147 N 0.92 7.06 0.00 4.39 0.15 -1.26 -4.96 113.70 120.00 3i8d s SER 147 Ca 0.60 2.16 0.28 0.00 0.70 0.00 0.00 55.95 59.70 3i8d s SER 147 Cb 0.27 -2.61 1.14 0.00 -1.71 0.00 0.00 66.02 63.11 3i8d s SER 147 CO -0.12 -0.28 1.80 0.35 1.20 0.00 0.00 173.24 176.19 3i8d n THR 148 N 0.66 0.00 -1.87 6.45 -2.24 -1.26 -4.95 114.28 111.08 3i8d n THR 148 Ca 0.01 -0.19 -0.42 0.00 -2.27 0.00 0.00 64.05 61.19 3i8d n THR 148 Cb 0.47 0.31 -0.03 0.00 -2.10 0.00 0.00 70.33 68.97 3i8d n THR 148 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3i8d s LEU 149 N -2.10 4.37 0.39 3.22 2.96 -1.26 -4.93 118.68 121.34 3i8d s LEU 149 Ca 0.37 2.58 -0.25 0.00 -0.22 0.00 0.00 54.13 56.61 3i8d s LEU 149 Cb 0.21 -3.57 -0.12 0.00 0.50 0.00 0.00 46.19 43.21 3i8d s LEU 149 CO 0.37 -0.91 0.92 0.55 -1.32 0.00 0.00 176.35 175.96 3i8d n VAL 150 N 4.63 2.23 -3.42 1.68 3.14 -1.26 -4.97 118.33 120.35 3i8d n VAL 150 Ca 0.16 -0.50 -0.44 0.00 -2.96 0.00 0.00 64.34 60.60 3i8d n VAL 150 Cb 0.40 -0.99 -0.07 0.00 -1.06 0.00 0.00 33.84 32.11 3i8d n VAL 150 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 3i8d s ARG 151 N -1.83 2.87 0.00 1.45 0.52 -1.26 -4.72 118.95 115.98 3i8d s ARG 151 Ca 0.62 -1.50 0.00 0.00 -0.52 0.00 0.00 55.73 54.34 3i8d s ARG 151 Cb -0.60 -4.09 0.00 0.00 0.52 0.00 0.00 34.95 30.78 3i8d s ARG 151 CO 0.58 -1.10 0.00 0.27 0.02 0.00 0.00 175.30 175.06 3i8d n ASN 152 N 5.13 0.00 0.16 0.23 0.23 -1.26 -5.03 115.26 114.72 3i8d n ASN 152 Ca -0.12 -0.88 0.01 0.00 -0.53 0.00 0.00 54.58 53.06 3i8d n ASN 152 Cb 0.42 0.00 0.23 0.00 -2.08 0.00 0.00 39.78 38.35 3i8d n ASN 152 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3i8d h GLU 153 N 0.00 0.00 0.00 -3.83 9.09 -2.00 -1.94 114.58 115.90 3i8d h GLU 153 Ca 0.00 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 59.31 3i8d h GLU 153 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.09 3i8d h GLU 153 CO 0.00 0.53 -0.47 0.93 0.05 0.00 0.00 179.01 180.04 3i8d h GLU 154 N 0.00 0.00 -0.57 1.06 3.07 -1.97 -3.05 114.58 113.12 3i8d h GLU 154 Ca -0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 3i8d h GLU 154 Cb 1.04 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.95 3i8d h GLU 154 CO 0.07 0.47 0.00 0.25 -1.40 0.00 0.00 179.01 178.40 3i8d n THR 155 N -3.79 0.83 -0.34 1.13 -2.24 -0.98 -4.55 114.28 104.34 3i8d n THR 155 Ca -0.01 -0.91 -0.04 0.00 -2.27 0.00 0.00 64.05 60.82 3i8d n THR 155 Cb 0.52 0.66 0.09 0.00 -2.10 0.00 0.00 70.33 69.51 3i8d n THR 155 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i8d h ALA 156 N 4.02 1.16 -0.15 6.98 0.00 -1.25 -2.13 119.26 127.90 3i8d h ALA 156 Ca 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3i8d h ALA 156 Cb 0.95 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3i8d h ALA 156 CO 0.00 0.64 0.01 1.25 0.00 0.00 0.00 179.25 181.14 3i8d h LEU 157 N 1.26 0.25 -0.84 0.00 5.85 -1.81 0.15 115.31 120.16 3i8d h LEU 157 Ca 0.32 -0.29 -0.10 0.00 0.84 0.00 0.00 57.88 58.66 3i8d h LEU 157 Cb -0.03 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 3i8d h LEU 157 CO -0.06 0.48 -0.16 -0.29 -0.34 0.00 0.00 178.44 178.07 3i8d h ILE 158 N 0.01 1.26 -0.42 4.05 6.09 -1.75 -1.34 117.51 125.41 3i8d h ILE 158 Ca 0.04 -1.21 -0.13 0.00 -1.37 0.00 0.00 64.86 62.20 3i8d h ILE 158 Cb 0.35 1.15 -0.01 0.00 0.47 0.00 0.00 36.82 38.78 3i8d h ILE 158 CO 0.01 0.40 -0.24 -0.50 -3.07 0.00 0.00 178.15 174.75 3i8d h TRP 159 N 0.61 0.98 -0.49 2.19 -0.00 -1.31 -0.18 115.95 117.76 3i8d h TRP 159 Ca 0.10 -0.24 0.04 0.00 -0.00 0.00 0.00 58.89 58.79 3i8d h TRP 159 Cb 0.63 -0.23 -0.04 0.00 -0.00 0.00 0.00 29.16 29.52 3i8d h TRP 159 CO 0.03 1.01 0.26 -0.22 -0.00 0.00 0.00 178.44 179.52 3i8d h LYS 160 N 0.74 0.50 -0.25 0.49 3.64 0.19 0.26 116.57 122.14 3i8d h LYS 160 Ca 0.10 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 3i8d h LYS 160 Cb 0.78 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.48 3i8d h LYS 160 CO 0.06 0.33 -0.01 -0.07 -2.27 0.00 0.00 179.45 177.50 3i8d h LEU 161 N 0.52 0.45 -0.04 5.20 3.38 -0.90 -1.08 115.31 122.84 3i8d h LEU 161 Ca 0.21 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.88 3i8d h LEU 161 Cb 0.09 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3i8d h LEU 161 CO -0.13 0.66 -0.09 0.58 0.09 0.00 0.00 178.44 179.55 3i8d h VAL 162 N 0.23 0.75 -0.61 1.22 2.07 -0.83 0.12 116.25 119.21 3i8d h VAL 162 Ca 0.07 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.64 3i8d h VAL 162 Cb 0.44 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 3i8d h VAL 162 CO 0.02 0.00 0.34 0.44 0.02 0.00 0.00 177.57 178.38 3i8d h ASP 163 N -0.14 0.51 0.80 0.57 3.32 -0.27 -0.20 116.42 121.01 3i8d h ASP 163 Ca 0.05 0.02 -0.10 0.00 0.02 0.00 0.00 57.03 57.03 3i8d h ASP 163 Cb 0.21 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3i8d h ASP 163 CO -0.12 0.34 -0.45 -0.33 -1.72 0.00 0.00 179.24 176.96 3i8d h GLU 164 N 0.64 0.00 -0.25 3.56 5.08 -1.01 -1.34 114.58 121.27 3i8d h GLU 164 Ca 0.26 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.51 3i8d h GLU 164 Cb 0.13 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 3i8d h GLU 164 CO -0.16 0.45 -0.31 0.00 -1.00 0.00 0.00 179.01 178.00 3i8d h ALA 165 N 1.55 0.37 -0.54 3.43 0.00 -0.02 0.35 119.26 124.40 3i8d h ALA 165 Ca -0.00 -0.41 0.05 0.00 0.00 0.00 0.00 54.91 54.55 3i8d h ALA 165 Cb 0.98 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 3i8d h ALA 165 CO 0.06 0.40 0.26 0.93 0.00 0.00 0.00 179.25 180.89 3i8d h GLU 166 N 0.35 0.49 -0.78 0.00 5.08 -0.87 -1.50 114.58 117.35 3i8d h GLU 166 Ca 0.03 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3i8d h GLU 166 Cb 0.88 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.99 3i8d h GLU 166 CO 0.07 0.32 0.41 1.49 -1.00 0.00 0.00 179.01 180.30 3i8d h GLU 167 N 0.50 1.10 -0.25 2.33 4.57 -1.02 0.38 114.58 122.20 3i8d h GLU 167 Ca 0.24 -0.14 0.02 0.00 -1.18 0.00 0.00 59.36 58.30 3i8d h GLU 167 Cb 0.18 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 3i8d h GLU 167 CO -0.18 0.83 0.11 2.35 -1.18 0.00 0.00 179.01 180.93 3i8d h TRP 168 N 1.09 0.20 -0.87 0.92 7.01 -0.57 -2.19 115.95 121.53 3i8d h TRP 168 Ca 0.27 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.31 3i8d h TRP 168 Cb 0.07 -0.05 -0.05 0.00 -2.10 0.00 0.00 29.16 27.03 3i8d h TRP 168 CO 0.01 0.11 0.57 -0.07 -2.79 0.00 0.00 178.44 176.26 3i8d h LEU 169 N 0.24 0.97 -0.52 0.65 3.38 -0.55 -1.83 115.31 117.64 3i8d h LEU 169 Ca 0.11 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3i8d h LEU 169 Cb 0.05 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.57 3i8d h LEU 169 CO -0.09 0.68 0.00 0.59 0.09 0.00 0.00 178.44 179.71 3i8d n ASN 170 N -4.42 0.70 0.00 -0.43 5.03 0.06 -3.65 115.26 112.55 3i8d n ASN 170 Ca 0.11 0.64 0.00 0.00 0.87 0.00 0.00 54.58 56.20 3i8d n ASN 170 Cb 0.06 -0.80 0.00 0.00 -1.02 0.00 0.00 39.78 38.02 3i8d n ASN 170 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 3i8d n THR 171 N -2.24 0.82 -4.12 3.41 -2.24 -0.75 -5.03 114.28 104.13 3i8d n THR 171 Ca 0.03 -0.90 -0.15 0.00 -2.27 0.00 0.00 64.05 60.76 3i8d n THR 171 Cb 0.28 0.59 -0.12 0.00 -2.10 0.00 0.00 70.33 68.98 3i8d n THR 171 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3i8d s HIS 172 N -0.82 0.73 0.24 4.78 3.76 -0.82 -5.06 115.29 118.10 3i8d s HIS 172 Ca 0.00 -0.40 0.07 0.00 -0.15 0.00 0.00 55.06 54.57 3i8d s HIS 172 Cb 0.00 -0.44 -0.04 0.00 1.11 0.00 0.00 32.58 33.21 3i8d s HIS 172 CO 0.00 -0.04 0.21 0.95 -0.85 0.00 0.00 174.74 175.01 3i8d s THR 173 N -1.07 4.56 0.04 1.30 -4.23 -1.26 -4.83 115.64 110.15 3i8d s THR 173 Ca -0.06 -1.32 -0.22 0.00 -1.18 0.00 0.00 61.69 58.92 3i8d s THR 173 Cb -0.08 -3.45 0.05 0.00 1.34 0.00 0.00 72.50 70.36 3i8d s THR 173 CO 0.01 -0.32 0.50 -0.72 -0.54 0.00 0.00 174.62 173.55 3i8d s TYR 174 N -2.07 -0.40 -0.80 3.99 -0.85 -1.26 -5.04 117.35 110.91 3i8d s TYR 174 Ca 0.33 0.45 0.08 0.00 -0.52 0.00 0.00 57.07 57.41 3i8d s TYR 174 Cb -0.08 0.32 0.02 0.00 0.38 0.00 0.00 41.96 42.60 3i8d s TYR 174 CO 0.25 -0.63 0.62 0.39 -1.52 0.00 0.00 175.55 174.66 3i8d n GLU 175 N 0.46 1.51 -1.68 -3.49 -0.58 -1.26 -5.01 120.64 110.58 3i8d n GLU 175 Ca -0.18 -0.68 -0.51 0.00 -0.42 0.00 0.00 57.16 55.37 3i8d n GLU 175 Cb 0.60 -1.06 -0.05 0.00 -0.57 0.00 0.00 31.44 30.36 3i8d n GLU 175 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 3i8d n THR 176 N -0.04 0.39 -2.31 2.62 -1.04 -1.26 -4.93 114.28 107.71 3i8d n THR 176 Ca 0.04 -0.07 -0.41 0.00 -2.04 0.00 0.00 64.05 61.57 3i8d n THR 176 Cb 0.17 -1.58 -0.03 0.00 -1.82 0.00 0.00 70.33 67.07 3i8d n THR 176 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3i8d s PRO 177 N 3.28 4.48 -0.34 -2.82 0.02 -1.26 -4.89 135.00 133.47 3i8d s PRO 177 Ca 0.92 1.96 -0.07 0.00 0.02 0.00 0.00 61.00 63.84 3i8d s PRO 177 Cb -0.81 -3.18 0.04 0.00 0.02 0.00 0.00 34.50 30.57 3i8d s PRO 177 CO 0.53 -0.06 0.11 0.42 -0.33 0.00 0.00 177.00 177.67 3i8d s ILE 178 N -0.54 3.85 0.06 2.83 1.01 -1.26 -1.34 121.20 125.81 3i8d s ILE 178 Ca 0.51 -1.10 0.04 0.00 0.00 0.00 0.00 60.65 60.10 3i8d s ILE 178 Cb -0.35 -3.17 -0.04 0.00 0.01 0.00 0.00 42.46 38.91 3i8d s ILE 178 CO 0.41 -0.18 -0.02 -0.76 0.00 0.00 0.00 174.94 174.40 3i8d s LEU 179 N 1.42 3.40 -0.10 2.97 1.43 0.49 -5.01 118.68 123.27 3i8d s LEU 179 Ca -0.01 -0.15 -0.24 0.00 -1.03 0.00 0.00 54.13 52.70 3i8d s LEU 179 Cb -0.19 -2.07 -0.03 0.00 0.03 0.00 0.00 46.19 43.93 3i8d s LEU 179 CO 0.03 0.21 0.74 -0.75 0.23 0.00 0.00 176.35 176.81 3i8d s LYS 180 N -2.00 4.39 -0.07 1.70 2.47 -1.26 -1.65 119.74 123.32 3i8d s LYS 180 Ca 0.23 0.91 -0.26 0.00 -1.56 0.00 0.00 55.97 55.28 3i8d s LYS 180 Cb -0.12 -3.49 -0.03 0.00 -1.46 0.00 0.00 37.83 32.73 3i8d s LYS 180 CO 0.15 -0.07 0.83 -0.46 0.16 0.00 0.00 175.35 175.96 3i8d s TRP 181 N 1.25 3.57 -1.01 4.03 -0.11 0.71 -4.88 118.94 122.50 3i8d s TRP 181 Ca 0.37 1.41 -0.12 0.00 1.22 0.00 0.00 56.10 58.98 3i8d s TRP 181 Cb -0.17 -2.97 0.23 0.00 -1.50 0.00 0.00 33.47 29.06 3i8d s TRP 181 CO 0.16 -0.03 1.03 -0.65 -4.62 0.00 0.00 176.95 172.84 3i8d s GLN 182 N 1.21 3.93 0.27 5.86 -0.21 -1.26 -4.53 119.66 124.92 3i8d s GLN 182 Ca 0.43 -2.75 -0.04 0.00 0.02 0.00 0.00 55.36 53.02 3i8d s GLN 182 Cb -0.19 -4.60 0.36 0.00 1.00 0.00 0.00 33.01 29.58 3i8d s GLN 182 CO 0.20 -1.37 1.92 1.15 -2.12 0.00 0.00 175.29 175.08 3i8d h THR 183 N 4.37 1.19 0.00 -0.19 2.02 -1.94 0.16 112.91 118.52 3i8d h THR 183 Ca 0.17 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.92 3i8d h THR 183 Cb 0.95 -0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 3i8d h THR 183 CO 0.95 0.23 0.00 -2.24 0.37 0.00 0.00 175.52 174.83 3i8d h ASP 184 N 1.24 0.00 0.00 4.18 2.03 -1.90 -1.47 116.42 120.50 3i8d h ASP 184 Ca 0.38 0.00 -0.30 0.00 -0.73 0.00 0.00 57.03 56.37 3i8d h ASP 184 Cb -0.03 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 38.41 3i8d h ASP 184 CO -0.11 0.00 -2.14 0.29 -1.03 0.00 0.00 179.24 176.25 3i8d n LYS 185 N -2.68 1.15 -0.07 4.15 5.02 -0.72 -4.78 118.16 120.23 3i8d n LYS 185 Ca 0.01 0.02 0.03 0.00 -2.02 0.00 0.00 58.31 56.35 3i8d n LYS 185 Cb 0.24 -1.42 0.07 0.00 -0.02 0.00 0.00 35.03 33.90 3i8d n LYS 185 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 3i8d n TRP 186 N -2.72 0.17 -4.10 2.13 8.01 0.48 -5.10 117.44 116.32 3i8d n TRP 186 Ca -0.29 -0.31 0.00 0.00 -1.31 0.00 0.00 57.50 55.59 3i8d n TRP 186 Cb 1.00 -0.02 0.00 0.00 -2.01 0.00 0.00 31.31 30.28 3i8d n TRP 186 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3i8d n GLY 187 N 0.21 -1.75 3.80 6.99 0.00 -0.56 -4.91 105.19 108.96 3i8d n GLY 187 Ca 0.06 -1.35 -0.35 0.00 0.00 0.00 0.00 46.02 44.39 3i8d n GLY 187 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3i8d s GLU 188 N 0.00 4.14 0.50 1.61 1.03 -1.26 -4.22 118.70 120.50 3i8d s GLU 188 Ca 0.00 1.30 -0.22 0.00 0.03 0.00 0.00 54.97 56.08 3i8d s GLU 188 Cb 0.00 -2.32 -0.07 0.00 -0.80 0.00 0.00 34.13 30.94 3i8d s GLU 188 CO 0.00 -0.12 1.15 1.51 -1.33 0.00 0.00 175.26 176.47 3i8d n ILE 189 N -0.44 3.15 -1.66 1.83 3.06 -1.26 -4.78 119.36 119.26 3i8d n ILE 189 Ca 0.07 -0.50 -0.48 0.00 -2.50 0.00 0.00 62.75 59.34 3i8d n ILE 189 Cb 0.52 -1.39 -0.05 0.00 0.54 0.00 0.00 39.64 39.26 3i8d n ILE 189 CO 0.00 0.00 0.00 1.17 -2.50 0.00 0.00 176.55 175.22 3i8d n LYS 190 N -0.48 1.92 -2.18 9.51 3.00 -1.26 -1.09 118.16 127.58 3i8d n LYS 190 Ca 0.10 0.69 -0.17 0.00 -0.00 0.00 0.00 58.31 58.93 3i8d n LYS 190 Cb 0.43 -2.44 -0.02 0.00 0.00 0.00 0.00 35.03 33.00 3i8d n LYS 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i8d n ALA 191 N 3.64 -0.46 -1.56 3.14 0.00 -1.26 -4.89 120.51 119.13 3i8d n ALA 191 Ca 0.18 0.16 -0.44 0.00 0.00 0.00 0.00 53.44 53.34 3i8d n ALA 191 Cb 0.26 -1.86 -0.01 0.00 0.00 0.00 0.00 19.45 17.85 3i8d n ALA 191 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3i8d n ASP 192 N -1.15 0.86 0.00 0.00 -0.08 -0.25 -5.05 116.55 110.87 3i8d n ASP 192 Ca -0.20 1.13 0.10 0.00 -1.51 0.00 0.00 54.79 54.31 3i8d n ASP 192 Cb 0.64 -1.25 0.57 0.00 2.34 0.00 0.00 41.12 43.42 3i8d n ASP 192 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10