#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 5.23 -0.57 3.84 1.01 -1.26 -5.05 121.20 124.40 3i8d s ILE 63 Ca 0.00 0.78 -0.25 0.00 0.00 0.00 0.00 60.65 61.18 3i8d s ILE 63 Cb 0.00 -3.74 0.04 0.00 0.01 0.00 0.00 42.46 38.77 3i8d s ILE 63 CO 0.00 0.32 1.00 -0.63 0.00 0.00 0.00 174.94 175.63 3i8d s ILE 64 N 0.75 4.30 0.17 2.92 1.01 -1.26 -4.92 121.20 124.17 3i8d s ILE 64 Ca 0.22 0.34 0.15 0.00 0.00 0.00 0.00 60.65 61.36 3i8d s ILE 64 Cb -0.14 -4.60 0.06 0.00 0.01 0.00 0.00 42.46 37.79 3i8d s ILE 64 CO 0.08 -1.20 1.65 -0.50 0.00 0.00 0.00 174.94 174.96 3i8d h TRP 65 N 9.40 0.00 -0.96 3.97 4.06 -1.98 -3.33 115.95 127.11 3i8d h TRP 65 Ca -0.26 0.00 -0.69 0.00 2.06 0.00 0.00 58.89 60.00 3i8d h TRP 65 Cb 1.07 0.00 -0.09 0.00 -1.00 0.00 0.00 29.16 29.14 3i8d h TRP 65 CO 0.94 0.49 2.16 0.39 -3.56 0.00 0.00 178.44 178.86 3i8d n GLU 66 N -3.58 3.21 -3.93 0.49 4.71 -1.26 -3.47 120.64 116.80 3i8d n GLU 66 Ca -0.00 -3.31 -0.10 0.00 -0.01 0.00 0.00 57.16 53.74 3i8d n GLU 66 Cb 0.58 -3.45 -0.02 0.00 -1.01 0.00 0.00 31.44 27.54 3i8d n GLU 66 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 3i8d s SER 67 N 4.07 0.09 -0.10 1.62 1.04 -1.25 -4.37 113.70 114.80 3i8d s SER 67 Ca 0.53 -1.03 0.01 0.00 0.48 0.00 0.00 55.95 55.94 3i8d s SER 67 Cb 0.04 0.71 -0.02 0.00 0.10 0.00 0.00 66.02 66.85 3i8d s SER 67 CO 0.07 -1.38 -0.14 -0.22 0.98 0.00 0.00 173.24 172.56 3i8d s LEU 68 N -3.05 2.72 -0.10 2.42 2.96 -0.34 -1.84 118.68 121.43 3i8d s LEU 68 Ca 0.19 -0.29 0.00 0.00 -0.22 0.00 0.00 54.13 53.82 3i8d s LEU 68 Cb -0.03 -1.59 -0.02 0.00 0.50 0.00 0.00 46.19 45.05 3i8d s LEU 68 CO 0.11 0.22 -0.11 -0.44 -1.32 0.00 0.00 176.35 174.82 3i8d s SER 69 N -0.00 4.22 -0.05 3.68 0.01 -0.57 0.65 113.70 121.64 3i8d s SER 69 Ca -0.04 -0.22 0.06 0.00 1.31 0.00 0.00 55.95 57.06 3i8d s SER 69 Cb -0.14 -1.39 -0.01 0.00 0.21 0.00 0.00 66.02 64.69 3i8d s SER 69 CO 0.04 0.24 -0.25 0.68 0.41 0.00 0.00 173.24 174.36 3i8d s VAL 70 N -0.08 2.10 0.04 3.43 -7.23 -0.55 -1.19 120.40 116.91 3i8d s VAL 70 Ca -0.01 -1.06 0.02 0.00 -1.81 0.00 0.00 61.98 59.11 3i8d s VAL 70 Cb -0.14 -1.75 -0.02 0.00 0.56 0.00 0.00 36.38 35.03 3i8d s VAL 70 CO 0.03 0.57 -0.07 -1.81 -0.31 0.00 0.00 175.10 173.52 3i8d s ASP 71 N -0.28 0.71 0.08 4.85 1.01 -0.30 -4.61 116.67 118.13 3i8d s ASP 71 Ca -0.00 -0.56 0.05 0.00 0.71 0.00 0.00 52.55 52.76 3i8d s ASP 71 Cb -0.13 0.06 -0.04 0.00 1.01 0.00 0.00 42.92 43.82 3i8d s ASP 71 CO 0.03 -0.24 -0.05 0.54 0.21 0.00 0.00 175.17 175.66 3i8d s VAL 72 N -1.50 3.72 -0.11 -1.27 0.11 -1.26 -1.80 120.40 118.29 3i8d s VAL 72 Ca -0.11 -1.06 0.02 0.00 -2.93 0.00 0.00 61.98 57.90 3i8d s VAL 72 Cb -0.09 -2.74 0.02 0.00 -1.53 0.00 0.00 36.38 32.03 3i8d s VAL 72 CO -0.00 0.16 -0.15 -0.83 -3.33 0.00 0.00 175.10 170.95 3i8d s GLY 73 N -2.14 1.01 0.08 6.54 0.00 -0.13 -4.60 107.32 108.09 3i8d s GLY 73 Ca 0.23 -0.70 0.00 0.00 0.00 0.00 0.00 44.72 44.25 3i8d s GLY 73 CO 0.15 0.26 0.00 -1.14 0.00 0.00 0.00 173.10 172.37 3i8d n SER 74 N 4.22 0.26 0.00 1.64 3.41 -1.26 -0.84 113.62 121.05 3i8d n SER 74 Ca -0.19 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 3i8d n SER 74 Cb 0.51 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 3i8d n SER 74 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i8d n GLN 75 N -3.11 0.00 -1.89 4.33 1.13 -1.26 -4.47 117.38 112.11 3i8d n GLN 75 Ca 0.00 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.64 3i8d n GLN 75 Cb 0.17 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.49 3i8d n GLN 75 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3i8d s GLY 76 N 0.00 1.60 -0.27 1.08 0.00 -1.26 -4.97 107.32 103.49 3i8d s GLY 76 Ca 0.00 1.43 -0.02 0.00 0.00 0.00 0.00 44.72 46.13 3i8d s GLY 76 CO 0.00 2.64 0.08 0.21 0.00 0.00 0.00 173.10 176.04 3i8d s ASN 77 N 1.03 3.62 0.63 1.64 2.47 -1.26 -2.37 114.94 120.71 3i8d s ASN 77 Ca 0.70 -1.34 -0.13 0.00 0.42 0.00 0.00 52.86 52.51 3i8d s ASN 77 Cb -0.45 -0.70 -0.02 0.00 -1.45 0.00 0.00 41.25 38.62 3i8d s ASN 77 CO 0.34 -0.39 1.04 -2.84 -3.72 0.00 0.00 177.10 171.54 3i8d s PRO 78 N 1.77 3.27 0.00 0.43 0.02 -1.26 -5.02 135.00 134.21 3i8d s PRO 78 Ca 0.06 0.98 0.00 0.00 0.02 0.00 0.00 61.00 62.07 3i8d s PRO 78 Cb -0.17 -2.03 0.00 0.00 0.02 0.00 0.00 34.50 32.32 3i8d s PRO 78 CO -0.22 -0.83 0.00 0.41 -0.33 0.00 0.00 177.00 176.03 3i8d n GLY 79 N -1.81 -0.69 3.75 0.52 0.00 -0.59 -4.94 105.19 101.44 3i8d n GLY 79 Ca 0.07 -0.88 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 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 -3.00 2.66 0.02 -0.61 1.01 -1.17 -0.82 121.20 119.30 3i8d s ILE 80 Ca 0.00 0.57 0.03 0.00 0.00 0.00 0.00 60.65 61.25 3i8d s ILE 80 Cb 0.00 -3.36 -0.01 0.00 0.01 0.00 0.00 42.46 39.09 3i8d s ILE 80 CO 0.00 0.10 -0.10 0.68 0.00 0.00 0.00 174.94 175.62 3i8d s VAL 81 N -0.14 0.74 0.21 2.92 -7.23 -0.68 -4.38 120.40 111.84 3i8d s VAL 81 Ca 0.58 -0.70 -0.04 0.00 -1.81 0.00 0.00 61.98 60.01 3i8d s VAL 81 Cb -0.42 -0.68 -0.03 0.00 0.56 0.00 0.00 36.38 35.81 3i8d s VAL 81 CO 0.45 -0.01 0.22 -1.83 -0.31 0.00 0.00 175.10 173.62 3i8d s GLU 82 N -0.79 1.29 0.20 4.82 -1.05 -0.02 0.23 118.70 123.37 3i8d s GLU 82 Ca -0.00 -1.53 -0.19 0.00 -0.15 0.00 0.00 54.97 53.09 3i8d s GLU 82 Cb -0.06 0.32 0.03 0.00 -0.44 0.00 0.00 34.13 33.99 3i8d s GLU 82 CO 0.00 -0.46 0.55 1.52 0.95 0.00 0.00 175.26 177.83 3i8d s TYR 83 N -4.12 -0.20 0.23 4.83 -0.85 -1.22 -0.95 117.35 115.07 3i8d s TYR 83 Ca 0.35 -0.13 -0.15 0.00 -0.52 0.00 0.00 57.07 56.61 3i8d s TYR 83 Cb 0.05 0.45 0.01 0.00 0.38 0.00 0.00 41.96 42.85 3i8d s TYR 83 CO 0.11 -0.93 0.52 -1.59 -1.52 0.00 0.00 175.55 172.14 3i8d s LYS 84 N -3.85 1.50 -0.11 -3.49 -2.85 -0.74 -1.00 119.74 109.19 3i8d s LYS 84 Ca 0.08 -1.08 0.02 0.00 -1.00 0.00 0.00 55.97 53.99 3i8d s LYS 84 Cb -0.01 0.50 0.01 0.00 -2.06 0.00 0.00 37.83 36.27 3i8d s LYS 84 CO -0.04 -0.64 -0.18 0.20 0.10 0.00 0.00 175.35 174.80 3i8d s GLY 85 N -2.95 1.14 0.09 0.59 0.00 -0.61 -1.15 107.32 104.43 3i8d s GLY 85 Ca 0.16 -0.84 0.07 0.00 0.00 0.00 0.00 44.72 44.12 3i8d s GLY 85 CO 0.04 0.09 -0.19 -1.34 0.00 0.00 0.00 173.10 171.70 3i8d s VAL 86 N 0.84 1.57 0.06 1.40 -7.23 -0.33 -0.19 120.40 116.51 3i8d s VAL 86 Ca -0.09 -1.47 -0.30 0.00 -1.81 0.00 0.00 61.98 58.31 3i8d s VAL 86 Cb -0.15 -1.44 -0.09 0.00 0.56 0.00 0.00 36.38 35.26 3i8d s VAL 86 CO -0.00 -0.09 1.78 -0.62 -0.31 0.00 0.00 175.10 175.86 3i8d s ASP 87 N -1.83 6.53 0.33 4.85 3.68 0.10 -1.51 116.67 128.82 3i8d s ASP 87 Ca 0.04 2.57 0.07 0.00 2.13 0.00 0.00 52.55 57.36 3i8d s ASP 87 Cb -0.10 -2.55 0.74 0.00 -1.45 0.00 0.00 42.92 39.56 3i8d s ASP 87 CO 0.04 -0.97 1.84 0.74 0.13 0.00 0.00 175.17 176.95 3i8d h THR 88 N 5.10 0.82 0.00 1.71 2.02 -1.57 0.70 112.91 121.69 3i8d h THR 88 Ca -0.45 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 66.46 3i8d h THR 88 Cb 1.21 -0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 67.59 3i8d h THR 88 CO 0.94 0.14 -0.01 0.50 0.37 0.00 0.00 175.52 177.46 3i8d h LYS 89 N 0.78 0.00 0.00 6.66 3.64 -1.81 -3.41 116.57 122.43 3i8d h LYS 89 Ca 0.49 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.87 3i8d h LYS 89 Cb 0.73 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 3i8d h LYS 89 CO -0.26 0.25 -0.81 1.79 -2.27 0.00 0.00 179.45 178.15 3i8d h THR 90 N -1.00 0.00 0.00 1.00 1.35 -1.92 -3.47 112.91 108.87 3i8d h THR 90 Ca -0.00 -0.80 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 3i8d h THR 90 Cb 0.26 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 3i8d h THR 90 CO -0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3i8d n GLY 91 N 1.24 1.37 3.61 5.82 0.00 0.24 -4.96 105.19 112.51 3i8d n GLY 91 Ca 0.01 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.00 1.41 -2.72 1.61 2.13 -1.26 -4.58 120.64 115.23 3i8d n GLU 92 Ca 0.00 0.51 -0.43 0.00 0.66 0.00 0.00 57.16 57.90 3i8d n GLU 92 Cb 0.00 -2.14 -0.03 0.00 0.27 0.00 0.00 31.44 29.54 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 0.36 4.50 -0.10 6.31 1.01 -1.26 0.03 120.40 131.25 3i8d s VAL 93 Ca 0.79 1.39 0.15 0.00 0.00 0.00 0.00 61.98 64.31 3i8d s VAL 93 Cb -0.86 -4.40 -0.22 0.00 0.00 0.00 0.00 36.38 30.90 3i8d s VAL 93 CO 0.47 -0.59 0.51 0.18 0.00 0.00 0.00 175.10 175.67 3i8d n LEU 94 N 6.96 0.58 -3.43 3.92 7.99 0.74 -4.97 117.00 128.79 3i8d n LEU 94 Ca 0.09 0.27 -0.12 0.00 -0.01 0.00 0.00 56.01 56.25 3i8d n LEU 94 Cb 0.48 0.25 -0.02 0.00 -0.11 0.00 0.00 43.42 44.01 3i8d n LEU 94 CO 0.60 0.36 0.41 0.72 -1.51 0.00 0.00 177.39 177.98 3i8d s PHE 95 N -2.66 -0.53 -0.07 -1.77 -0.12 -1.07 -4.99 117.98 106.77 3i8d s PHE 95 Ca -0.06 0.34 -0.23 0.00 -0.05 0.00 0.00 56.93 56.92 3i8d s PHE 95 Cb 0.08 0.56 0.05 0.00 -0.63 0.00 0.00 43.02 43.08 3i8d s PHE 95 CO 0.83 -0.83 0.53 -2.00 -0.05 0.00 0.00 175.22 173.70 3i8d s GLU 96 N -3.68 0.84 -0.14 1.99 2.12 -1.26 -1.58 118.70 116.99 3i8d s GLU 96 Ca 0.01 0.23 -0.01 0.00 0.36 0.00 0.00 54.97 55.56 3i8d s GLU 96 Cb -0.01 0.39 -0.02 0.00 0.26 0.00 0.00 34.13 34.76 3i8d s GLU 96 CO -0.12 -0.23 -0.12 0.50 -0.54 0.00 0.00 175.26 174.75 3i8d s ARG 97 N -0.90 3.40 0.76 4.30 6.06 -0.17 -5.01 118.95 127.39 3i8d s ARG 97 Ca -0.09 -0.67 -0.11 0.00 -2.50 0.00 0.00 55.73 52.36 3i8d s ARG 97 Cb -0.03 -2.66 0.05 0.00 0.06 0.00 0.00 34.95 32.37 3i8d s ARG 97 CO 0.06 0.20 1.08 -1.83 -2.50 0.00 0.00 175.30 172.31 3i8d s GLU 98 N 0.39 2.38 0.17 5.12 -1.05 -1.26 -3.40 118.70 121.06 3i8d s GLU 98 Ca -0.10 1.10 -0.33 0.00 -0.15 0.00 0.00 54.97 55.49 3i8d s GLU 98 Cb -0.16 -1.92 -0.15 0.00 -0.44 0.00 0.00 34.13 31.46 3i8d s GLU 98 CO 0.05 -1.53 1.25 -2.30 0.95 0.00 0.00 175.26 173.68 3i8d n PRO 99 N -3.44 1.35 -3.86 -4.83 -0.02 -1.26 -4.79 135.00 118.15 3i8d n PRO 99 Ca 0.09 0.48 -0.35 0.00 -2.02 0.00 0.00 63.50 61.70 3i8d n PRO 99 Cb 0.53 -2.04 -0.10 0.00 -0.02 0.00 0.00 33.50 31.87 3i8d n PRO 99 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3i8d s ILE 100 N -0.00 4.98 0.37 4.25 1.01 0.13 -4.92 121.20 127.02 3i8d s ILE 100 Ca 0.75 0.04 0.05 0.00 0.00 0.00 0.00 60.65 61.49 3i8d s ILE 100 Cb -0.83 -3.28 0.21 0.00 0.01 0.00 0.00 42.46 38.58 3i8d s ILE 100 CO 0.50 0.42 1.97 -0.65 0.00 0.00 0.00 174.94 177.17 3i8d h PRO 101 N 7.04 0.55 -4.02 2.79 0.11 -1.88 -1.80 132.00 134.78 3i8d h PRO 101 Ca -0.38 -0.07 -0.46 0.00 0.11 0.00 0.00 66.00 65.20 3i8d h PRO 101 Cb 1.17 -0.10 -0.36 0.00 0.11 0.00 0.00 31.00 31.81 3i8d h PRO 101 CO 0.69 0.47 -0.78 0.42 -0.21 0.00 0.00 178.00 178.58 3i8d s ILE 102 N -5.25 0.67 0.08 4.15 -1.09 -1.26 -3.02 121.20 115.48 3i8d s ILE 102 Ca -0.08 -0.12 -0.04 0.00 -2.23 0.00 0.00 60.65 58.18 3i8d s ILE 102 Cb 0.16 -0.72 0.01 0.00 -1.58 0.00 0.00 42.46 40.34 3i8d s ILE 102 CO 0.75 0.29 0.19 0.61 -1.23 0.00 0.00 174.94 175.54 3i8d n GLY 103 N 4.60 1.66 3.54 6.18 0.00 0.00 -4.49 105.19 116.69 3i8d n GLY 103 Ca -0.16 -1.05 -0.26 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.74 2.27 0.19 2.61 -4.23 -1.26 -1.54 115.64 110.94 3i8d s THR 104 Ca 0.04 -2.21 -0.13 0.00 -1.18 0.00 0.00 61.69 58.21 3i8d s THR 104 Cb -0.01 -2.63 0.13 0.00 1.34 0.00 0.00 72.50 71.33 3i8d s THR 104 CO 0.02 -0.21 1.69 -0.55 -0.54 0.00 0.00 174.62 175.04 3i8d h ASN 105 N 2.03 -0.12 -0.37 3.99 -1.07 -1.95 -0.14 115.58 117.96 3i8d h ASN 105 Ca -0.42 0.11 -0.11 0.00 0.07 0.00 0.00 56.30 55.95 3i8d h ASN 105 Cb 1.25 0.18 -0.01 0.00 -2.07 0.00 0.00 38.32 37.67 3i8d h ASN 105 CO 0.70 -0.03 -0.19 0.78 0.07 0.00 0.00 177.43 178.75 3i8d h ASN 106 N 0.17 0.80 -0.60 6.14 2.35 -1.99 -0.19 115.58 122.27 3i8d h ASN 106 Ca 0.26 -0.41 -0.02 0.00 -0.55 0.00 0.00 56.30 55.58 3i8d h ASN 106 Cb 0.39 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.51 3i8d h ASN 106 CO -0.39 1.04 0.28 0.24 -1.65 0.00 0.00 177.43 176.94 3i8d h MET 107 N 0.57 0.87 -0.81 0.81 2.86 -1.90 -0.64 114.93 116.69 3i8d h MET 107 Ca 0.08 -0.13 -0.04 0.00 -2.06 0.00 0.00 59.70 57.55 3i8d h MET 107 Cb 0.74 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 32.21 3i8d h MET 107 CO 0.06 0.71 0.35 0.78 1.06 0.00 0.00 176.91 179.86 3i8d h GLY 108 N 0.82 1.29 1.72 8.32 0.00 -0.75 -1.62 103.07 112.85 3i8d h GLY 108 Ca 0.20 -0.68 -0.18 0.00 0.00 0.00 0.00 47.33 46.67 3i8d h GLY 108 CO -0.02 0.65 -0.78 -2.09 0.00 0.00 0.00 176.54 174.29 3i8d h GLU 109 N 1.18 0.26 -0.32 4.80 4.57 -0.83 -0.72 114.58 123.53 3i8d h GLU 109 Ca 0.27 -0.24 -0.00 0.00 -1.18 0.00 0.00 59.36 58.21 3i8d h GLU 109 Cb 0.19 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.82 3i8d h GLU 109 CO -0.03 0.92 0.19 0.35 -1.18 0.00 0.00 179.01 179.26 3i8d h PHE 110 N 0.17 0.42 -0.95 0.92 3.57 -0.94 -1.08 116.94 119.05 3i8d h PHE 110 Ca -0.03 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.46 3i8d h PHE 110 Cb 1.37 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 39.92 3i8d h PHE 110 CO 0.03 0.31 0.57 -0.07 -2.23 0.00 0.00 178.31 176.92 3i8d h LEU 111 N 0.41 1.14 -0.30 0.59 3.38 -1.05 -1.88 115.31 117.59 3i8d h LEU 111 Ca 0.11 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3i8d h LEU 111 Cb 0.01 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 3i8d h LEU 111 CO -0.02 0.87 0.11 0.00 0.09 0.00 0.00 178.44 179.49 3i8d h ALA 112 N 1.32 0.39 -0.10 1.53 0.00 -0.80 0.30 119.26 121.90 3i8d h ALA 112 Ca 0.34 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.12 3i8d h ALA 112 Cb -0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3i8d h ALA 112 CO -0.06 0.00 0.04 0.82 0.00 0.00 0.00 179.25 180.05 3i8d h ILE 113 N 0.34 0.99 -0.47 0.00 2.04 -0.96 -0.87 117.51 118.58 3i8d h ILE 113 Ca 0.10 -0.03 -0.13 0.00 1.00 0.00 0.00 64.86 65.80 3i8d h ILE 113 Cb 0.20 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 3i8d h ILE 113 CO -0.01 0.02 -0.21 0.58 0.00 0.00 0.00 178.15 178.53 3i8d h VAL 114 N 0.10 1.27 -0.99 1.67 2.07 -1.08 -0.64 116.25 118.64 3i8d h VAL 114 Ca 0.04 -1.37 0.07 0.00 0.82 0.00 0.00 66.70 66.25 3i8d h VAL 114 Cb 0.01 1.13 -0.07 0.00 -1.52 0.00 0.00 31.29 30.84 3i8d h VAL 114 CO -0.04 0.47 0.64 -0.74 0.02 0.00 0.00 177.57 177.93 3i8d h HIS 115 N 0.84 1.19 -0.68 1.57 -0.00 -0.30 -1.02 115.15 116.75 3i8d h HIS 115 Ca 0.11 0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 60.46 3i8d h HIS 115 Cb 0.78 -0.39 -0.03 0.00 -0.00 0.00 0.00 27.41 27.78 3i8d h HIS 115 CO 0.05 0.61 0.21 0.78 -0.00 0.00 0.00 177.93 179.58 3i8d h GLY 116 N 1.16 1.13 0.97 5.26 0.00 -0.46 0.43 103.07 111.55 3i8d h GLY 116 Ca 0.43 -0.65 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 3i8d h GLY 116 CO -0.17 0.61 0.21 1.41 0.00 0.00 0.00 176.54 178.60 3i8d h LEU 117 N 1.01 0.49 -0.71 3.11 3.38 -0.53 -1.23 115.31 120.83 3i8d h LEU 117 Ca 0.22 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 3i8d h LEU 117 Cb 0.29 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3i8d h LEU 117 CO -0.01 0.44 0.09 0.03 0.09 0.00 0.00 178.44 179.08 3i8d h ARG 118 N 0.50 1.08 -0.26 1.13 3.08 -0.85 0.13 114.38 119.19 3i8d h ARG 118 Ca 0.14 -0.29 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 3i8d h ARG 118 Cb 0.06 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 3i8d h ARG 118 CO -0.02 1.00 0.11 -0.92 -1.07 0.00 0.00 179.97 179.06 3i8d h TYR 119 N 1.01 0.40 -0.08 3.04 3.20 -0.74 -1.24 116.97 122.54 3i8d h TYR 119 Ca 0.20 -0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.88 3i8d h TYR 119 Cb 0.46 -0.12 0.01 0.00 1.54 0.00 0.00 36.73 38.61 3i8d h TYR 119 CO 0.03 0.41 -0.54 -0.07 -1.64 0.00 0.00 178.16 176.35 3i8d h LEU 120 N 0.27 0.62 -0.88 2.82 3.38 -1.09 -2.82 115.31 117.61 3i8d h LEU 120 Ca 0.09 -0.66 0.14 0.00 0.09 0.00 0.00 57.88 57.53 3i8d h LEU 120 Cb 0.18 -0.19 -0.09 0.00 0.09 0.00 0.00 40.66 40.65 3i8d h LEU 120 CO -0.01 1.19 0.49 0.50 0.09 0.00 0.00 178.44 180.70 3i8d h LYS 121 N 0.10 0.70 -0.37 1.13 3.64 -0.93 0.35 116.57 121.21 3i8d h LYS 121 Ca -0.04 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.26 3i8d h LYS 121 Cb 1.20 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.84 3i8d h LYS 121 CO 0.11 0.46 0.07 0.93 -2.27 0.00 0.00 179.45 178.76 3i8d h GLU 122 N 0.72 0.54 -0.14 1.90 5.08 -1.08 -2.07 114.58 119.53 3i8d h GLU 122 Ca 0.47 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 3i8d h GLU 122 Cb 0.61 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3i8d h GLU 122 CO -0.33 0.51 0.00 0.54 -1.00 0.00 0.00 179.01 178.73 3i8d n ARG 123 N -4.33 1.83 -3.66 2.33 1.74 -0.44 -4.91 116.66 109.23 3i8d n ARG 123 Ca 0.02 -1.24 -0.28 0.00 -0.77 0.00 0.00 57.85 55.58 3i8d n ARG 123 Cb 0.20 -1.43 0.02 0.00 -1.02 0.00 0.00 32.46 30.22 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 0.47 -4.77 -4.82 0.55 3.02 -0.61 -4.96 115.26 104.14 3i8d n ASN 124 Ca 0.17 -0.62 -0.38 0.00 -0.03 0.00 0.00 54.58 53.72 3i8d n ASN 124 Cb 0.38 -3.84 -0.06 0.00 -0.61 0.00 0.00 39.78 35.65 3i8d n ASN 124 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3i8d s SER 125 N -3.08 6.97 0.00 6.41 0.15 -0.01 -4.97 113.70 119.17 3i8d s SER 125 Ca 0.56 1.16 0.29 0.00 0.70 0.00 0.00 55.95 58.65 3i8d s SER 125 Cb -0.28 -2.32 1.26 0.00 -1.71 0.00 0.00 66.02 62.97 3i8d s SER 125 CO 0.69 0.28 1.86 0.54 1.20 0.00 0.00 173.24 177.81 3i8d n ARG 126 N 1.68 1.49 -1.90 5.44 1.74 -1.26 -4.63 116.66 119.22 3i8d n ARG 126 Ca -0.11 -0.71 -0.41 0.00 -0.77 0.00 0.00 57.85 55.85 3i8d n ARG 126 Cb 0.51 -1.48 -0.01 0.00 -1.02 0.00 0.00 32.46 30.46 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 -1.99 4.18 0.68 5.56 1.02 -1.26 -4.84 119.74 123.10 3i8d s LYS 127 Ca 0.40 2.46 -0.11 0.00 0.02 0.00 0.00 55.97 58.74 3i8d s LYS 127 Cb 0.21 -3.01 0.00 0.00 -0.52 0.00 0.00 37.83 34.52 3i8d s LYS 127 CO 0.34 -0.44 1.07 -1.25 -0.92 0.00 0.00 175.35 174.15 3i8d s PRO 128 N -1.83 3.04 -0.12 -1.68 0.04 -1.26 -4.59 135.00 128.60 3i8d s PRO 128 Ca 0.53 0.62 -0.04 0.00 0.04 0.00 0.00 61.00 62.15 3i8d s PRO 128 Cb -0.45 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.03 3i8d s PRO 128 CO 0.59 -0.94 0.03 0.42 0.04 0.00 0.00 177.00 177.14 3i8d s ILE 129 N -3.25 4.58 -0.05 0.56 1.01 -0.15 -1.20 121.20 122.70 3i8d s ILE 129 Ca 0.57 -0.13 -0.02 0.00 0.00 0.00 0.00 60.65 61.07 3i8d s ILE 129 Cb -0.12 -2.98 -0.04 0.00 0.01 0.00 0.00 42.46 39.33 3i8d s ILE 129 CO 0.53 0.56 0.06 -0.31 0.00 0.00 0.00 174.94 175.78 3i8d s TYR 130 N -0.45 3.28 -0.00 3.97 1.51 0.21 -0.20 117.35 125.66 3i8d s TYR 130 Ca 0.09 0.24 -0.03 0.00 -1.01 0.00 0.00 57.07 56.36 3i8d s TYR 130 Cb -0.12 -1.78 -0.00 0.00 -0.11 0.00 0.00 41.96 39.95 3i8d s TYR 130 CO 0.02 0.55 0.06 0.45 -1.11 0.00 0.00 175.55 175.52 3i8d s SER 131 N -1.36 0.06 -0.01 2.29 0.15 -0.75 -1.48 113.70 112.61 3i8d s SER 131 Ca 0.19 -0.19 0.12 0.00 0.70 0.00 0.00 55.95 56.77 3i8d s SER 131 Cb -0.12 0.15 0.37 0.00 -1.71 0.00 0.00 66.02 64.72 3i8d s SER 131 CO 0.09 -0.23 1.29 -0.46 1.20 0.00 0.00 173.24 175.13 3i8d n ASN 132 N 2.03 2.29 -4.30 5.45 0.23 -1.26 -0.32 115.26 119.38 3i8d n ASN 132 Ca -0.20 -2.03 -0.39 0.00 -0.53 0.00 0.00 54.58 51.43 3i8d n ASN 132 Cb 0.57 -0.30 -0.12 0.00 -2.08 0.00 0.00 39.78 37.85 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 -0.96 5.49 0.24 0.53 0.15 -1.26 -4.89 113.70 113.00 3i8d s SER 133 Ca 0.28 -1.20 -0.06 0.00 0.70 0.00 0.00 55.95 55.67 3i8d s SER 133 Cb 0.15 -1.93 0.31 0.00 -1.71 0.00 0.00 66.02 62.84 3i8d s SER 133 CO 0.18 -0.39 1.86 -0.61 1.20 0.00 0.00 173.24 175.47 3i8d h GLN 134 N 8.31 0.96 0.15 5.44 5.75 -1.98 -1.69 115.11 132.05 3i8d h GLN 134 Ca -0.23 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.20 3i8d h GLN 134 Cb 1.09 -0.22 0.00 0.00 1.07 0.00 0.00 27.48 29.42 3i8d h GLN 134 CO 0.65 0.63 -0.07 1.15 -2.65 0.00 0.00 178.83 178.55 3i8d h THR 135 N 0.99 0.94 -0.08 2.39 2.02 -1.99 -1.67 112.91 115.51 3i8d h THR 135 Ca 0.36 -0.38 -0.09 0.00 0.77 0.00 0.00 66.41 67.07 3i8d h THR 135 Cb 0.13 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 3i8d h THR 135 CO -0.16 0.09 -0.38 0.00 0.37 0.00 0.00 175.52 175.44 3i8d h ALA 136 N 0.44 1.22 -0.33 6.16 0.00 -1.82 -0.47 119.26 124.47 3i8d h ALA 136 Ca -0.02 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 3i8d h ALA 136 Cb 0.30 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3i8d h ALA 136 CO 0.03 0.54 0.10 0.82 0.00 0.00 0.00 179.25 180.75 3i8d h ILE 137 N 0.13 1.21 -0.61 0.00 2.04 -1.29 -0.68 117.51 118.30 3i8d h ILE 137 Ca 0.01 -0.67 -0.08 0.00 1.00 0.00 0.00 64.86 65.13 3i8d h ILE 137 Cb 0.74 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 3i8d h ILE 137 CO 0.06 0.23 0.06 0.50 0.00 0.00 0.00 178.15 179.00 3i8d h LYS 138 N 0.37 1.03 -0.71 2.37 3.64 -0.86 -0.95 116.57 121.45 3i8d h LYS 138 Ca 0.10 -0.28 -0.05 0.00 -1.27 0.00 0.00 60.65 59.15 3i8d h LYS 138 Cb 0.25 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 3i8d h LYS 138 CO -0.00 0.97 0.24 -1.49 -2.27 0.00 0.00 179.45 176.90 3i8d h TRP 139 N 0.96 1.10 -0.13 1.91 4.06 -0.76 0.53 115.95 123.62 3i8d h TRP 139 Ca 0.18 -0.09 -0.02 0.00 2.06 0.00 0.00 58.89 61.02 3i8d h TRP 139 Cb 0.47 -0.33 -0.00 0.00 -1.00 0.00 0.00 29.16 28.29 3i8d h TRP 139 CO 0.03 0.86 0.01 0.28 -3.56 0.00 0.00 178.44 176.07 3i8d h VAL 140 N 1.04 1.23 -0.58 1.49 2.07 -0.79 -0.09 116.25 120.62 3i8d h VAL 140 Ca 0.23 -0.73 0.10 0.00 0.82 0.00 0.00 66.70 67.12 3i8d h VAL 140 Cb 0.26 1.47 -0.08 0.00 -1.52 0.00 0.00 31.29 31.43 3i8d h VAL 140 CO -0.01 0.21 0.16 0.11 0.02 0.00 0.00 177.57 178.06 3i8d h LYS 141 N -0.03 0.30 0.00 1.57 1.79 -0.72 -1.81 116.57 117.67 3i8d h LYS 141 Ca 0.04 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 3i8d h LYS 141 Cb 0.31 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.90 3i8d h LYS 141 CO 0.00 0.20 0.00 -0.25 -1.08 0.00 0.00 179.45 178.32 3i8d n ASP 142 N -5.08 0.00 -2.52 0.86 8.00 0.14 -4.91 116.55 113.04 3i8d n ASP 142 Ca 0.08 0.23 -0.17 0.00 0.71 0.00 0.00 54.79 55.63 3i8d n ASP 142 Cb 0.29 -0.39 -0.00 0.00 -0.02 0.00 0.00 41.12 40.99 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 -1.39 -2.30 -3.67 -1.24 5.02 -0.21 -4.95 118.16 109.42 3i8d n LYS 143 Ca 0.08 0.80 -0.09 0.00 -2.02 0.00 0.00 58.31 57.07 3i8d n LYS 143 Cb 0.21 -5.46 -0.10 0.00 -0.02 0.00 0.00 35.03 29.67 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 -5.15 0.34 -0.56 1.97 2.47 -0.26 -4.85 119.74 113.70 3i8d s LYS 144 Ca 0.05 0.95 -0.21 0.00 -1.56 0.00 0.00 55.97 55.20 3i8d s LYS 144 Cb -0.02 0.20 0.06 0.00 -1.46 0.00 0.00 37.83 36.61 3i8d s LYS 144 CO 0.06 -0.22 0.77 0.00 0.16 0.00 0.00 175.35 176.12 3i8d s ALA 145 N 2.23 3.29 -1.30 3.13 0.00 -1.26 -4.48 121.76 123.37 3i8d s ALA 145 Ca -0.04 -1.72 -0.06 0.00 0.00 0.00 0.00 51.96 50.14 3i8d s ALA 145 Cb -0.11 -3.56 0.09 0.00 0.00 0.00 0.00 23.12 19.55 3i8d s ALA 145 CO -0.13 -2.29 2.47 1.17 0.00 0.00 0.00 175.76 176.98 3i8d n LYS 146 N 6.77 4.40 -2.92 0.00 4.81 -1.26 -4.94 118.16 125.02 3i8d n LYS 146 Ca -0.05 -3.28 -0.37 0.00 -0.87 0.00 0.00 58.31 53.75 3i8d n LYS 146 Cb 0.45 -2.62 -0.06 0.00 0.02 0.00 0.00 35.03 32.82 3i8d n LYS 146 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3i8d s SER 147 N 0.55 7.24 0.00 3.14 0.15 -1.26 -4.98 113.70 118.54 3i8d s SER 147 Ca 0.56 1.66 0.29 0.00 0.70 0.00 0.00 55.95 59.16 3i8d s SER 147 Cb 0.20 -2.51 1.31 0.00 -1.71 0.00 0.00 66.02 63.31 3i8d s SER 147 CO -0.10 -0.00 1.89 0.35 1.20 0.00 0.00 173.24 176.58 3i8d n THR 148 N 0.72 0.00 -1.80 6.45 -2.24 -1.26 -4.94 114.28 111.21 3i8d n THR 148 Ca -0.00 -0.14 -0.42 0.00 -2.27 0.00 0.00 64.05 61.22 3i8d n THR 148 Cb 0.50 0.11 -0.03 0.00 -2.10 0.00 0.00 70.33 68.81 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 4.39 0.36 3.22 2.96 -1.26 -4.91 118.68 121.34 3i8d s LEU 149 Ca 0.39 2.60 -0.26 0.00 -0.22 0.00 0.00 54.13 56.64 3i8d s LEU 149 Cb 0.21 -3.55 -0.13 0.00 0.50 0.00 0.00 46.19 43.22 3i8d s LEU 149 CO 0.38 -0.97 0.90 0.55 -1.32 0.00 0.00 176.35 175.89 3i8d n VAL 150 N 4.99 2.11 -3.04 1.68 3.14 -1.26 -4.96 118.33 121.00 3i8d n VAL 150 Ca 0.18 -0.50 -0.43 0.00 -2.96 0.00 0.00 64.34 60.62 3i8d n VAL 150 Cb 0.40 -0.92 -0.05 0.00 -1.06 0.00 0.00 33.84 32.20 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 -1.70 3.19 0.00 1.45 0.52 -1.26 -4.72 118.95 116.43 3i8d s ARG 151 Ca 0.61 -0.69 0.00 0.00 -0.52 0.00 0.00 55.73 55.14 3i8d s ARG 151 Cb -0.64 -4.09 0.00 0.00 0.52 0.00 0.00 34.95 30.74 3i8d s ARG 151 CO 0.58 -1.34 0.00 0.27 0.02 0.00 0.00 175.30 174.84 3i8d n ASN 152 N 6.66 0.00 -0.19 0.23 0.23 -1.26 -5.00 115.26 115.93 3i8d n ASN 152 Ca -0.04 -0.79 -0.06 0.00 -0.53 0.00 0.00 54.58 53.17 3i8d n ASN 152 Cb 0.46 0.00 0.10 0.00 -2.08 0.00 0.00 39.78 38.26 3i8d n ASN 152 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3i8d h GLU 153 N 0.00 0.99 0.00 -3.83 4.57 -2.00 -1.75 114.58 112.56 3i8d h GLU 153 Ca 0.00 -0.24 -0.04 0.00 -1.18 0.00 0.00 59.36 57.90 3i8d h GLU 153 Cb 0.00 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.45 3i8d h GLU 153 CO 0.00 0.91 -0.21 0.93 -1.18 0.00 0.00 179.01 179.46 3i8d h GLU 154 N 0.94 0.00 -0.54 1.92 3.07 -1.96 -2.90 114.58 115.10 3i8d h GLU 154 Ca 0.19 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.05 3i8d h GLU 154 Cb 0.38 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.29 3i8d h GLU 154 CO 0.01 0.21 0.00 0.25 -1.40 0.00 0.00 179.01 178.07 3i8d n THR 155 N -3.21 0.80 -0.06 1.13 -2.24 -0.96 -4.55 114.28 105.19 3i8d n THR 155 Ca 0.02 -0.90 0.02 0.00 -2.27 0.00 0.00 64.05 60.92 3i8d n THR 155 Cb 0.53 0.69 0.36 0.00 -2.10 0.00 0.00 70.33 69.81 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 3.97 1.60 0.07 6.98 0.00 -1.12 -1.70 119.26 129.05 3i8d h ALA 156 Ca 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3i8d h ALA 156 Cb 0.94 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3i8d h ALA 156 CO 0.00 0.36 -0.03 1.25 0.00 0.00 0.00 179.25 180.82 3i8d h LEU 157 N 0.68 -0.08 -1.20 0.00 5.85 -1.82 0.70 115.31 119.44 3i8d h LEU 157 Ca 0.18 -0.46 -0.04 0.00 0.84 0.00 0.00 57.88 58.41 3i8d h LEU 157 Cb -0.03 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 3i8d h LEU 157 CO -0.03 0.44 0.12 -0.29 -0.34 0.00 0.00 178.44 178.34 3i8d h ILE 158 N -0.63 1.20 -0.15 4.05 6.09 -1.76 -0.67 117.51 125.64 3i8d h ILE 158 Ca -0.01 -0.69 -0.15 0.00 -1.37 0.00 0.00 64.86 62.65 3i8d h ILE 158 Cb 0.53 0.72 -0.01 0.00 0.47 0.00 0.00 36.82 38.52 3i8d h ILE 158 CO 0.02 0.25 -0.52 -0.50 -3.07 0.00 0.00 178.15 174.32 3i8d h TRP 159 N 0.66 0.53 -0.18 2.19 4.06 -1.16 -0.91 115.95 121.14 3i8d h TRP 159 Ca 0.15 -0.18 -0.01 0.00 2.06 0.00 0.00 58.89 60.92 3i8d h TRP 159 Cb 0.23 -0.10 -0.01 0.00 -1.00 0.00 0.00 29.16 28.28 3i8d h TRP 159 CO 0.01 0.86 0.09 -0.22 -3.56 0.00 0.00 178.44 175.62 3i8d h LYS 160 N 0.33 0.26 -0.52 0.49 3.64 0.26 0.27 116.57 121.31 3i8d h LYS 160 Ca 0.01 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 3i8d h LYS 160 Cb 1.03 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.78 3i8d h LYS 160 CO 0.09 0.29 0.27 -0.07 -2.27 0.00 0.00 179.45 177.77 3i8d h LEU 161 N 0.16 0.66 0.05 5.20 3.38 -0.91 -0.39 115.31 123.46 3i8d h LEU 161 Ca 0.06 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3i8d h LEU 161 Cb 0.12 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3i8d h LEU 161 CO -0.01 0.57 -0.02 0.58 0.09 0.00 0.00 178.44 179.65 3i8d h VAL 162 N 0.69 1.02 -0.81 1.22 2.07 -1.02 0.51 116.25 119.93 3i8d h VAL 162 Ca 0.18 -0.23 0.09 0.00 0.82 0.00 0.00 66.70 67.56 3i8d h VAL 162 Cb 0.07 1.17 -0.07 0.00 -1.52 0.00 0.00 31.29 30.95 3i8d h VAL 162 CO -0.03 0.06 0.46 0.44 0.02 0.00 0.00 177.57 178.52 3i8d h ASP 163 N -0.17 0.66 0.67 0.57 3.32 -0.19 0.70 116.42 121.99 3i8d h ASP 163 Ca -0.01 0.05 -0.14 0.00 0.02 0.00 0.00 57.03 56.94 3i8d h ASP 163 Cb 0.15 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 3i8d h ASP 163 CO 0.01 0.38 -0.69 -0.33 -1.72 0.00 0.00 179.24 176.90 3i8d h GLU 164 N 0.78 0.01 -0.28 3.56 5.08 -0.84 -1.47 114.58 121.43 3i8d h GLU 164 Ca 0.39 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.61 3i8d h GLU 164 Cb 0.34 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 3i8d h GLU 164 CO -0.24 0.69 -0.31 0.00 -1.00 0.00 0.00 179.01 178.16 3i8d h ALA 165 N 1.30 0.41 -0.43 3.43 0.00 0.01 -0.12 119.26 123.87 3i8d h ALA 165 Ca -0.01 -0.41 0.05 0.00 0.00 0.00 0.00 54.91 54.54 3i8d h ALA 165 Cb 1.22 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 3i8d h ALA 165 CO 0.09 0.44 0.15 0.93 0.00 0.00 0.00 179.25 180.86 3i8d h GLU 166 N 0.44 0.31 -0.85 0.00 5.08 -0.69 -1.81 114.58 117.06 3i8d h GLU 166 Ca 0.04 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 3i8d h GLU 166 Cb 0.88 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.02 3i8d h GLU 166 CO 0.07 0.20 0.55 1.49 -1.00 0.00 0.00 179.01 180.33 3i8d h GLU 167 N 0.32 1.06 -0.37 2.33 4.57 -1.01 0.25 114.58 121.72 3i8d h GLU 167 Ca 0.20 -0.06 0.06 0.00 -1.18 0.00 0.00 59.36 58.37 3i8d h GLU 167 Cb 0.19 -0.24 -0.05 0.00 -0.16 0.00 0.00 28.75 28.49 3i8d h GLU 167 CO -0.20 0.70 0.06 2.35 -1.18 0.00 0.00 179.01 180.73 3i8d h TRP 168 N 1.09 0.09 -0.62 0.92 7.01 -0.66 -2.41 115.95 121.37 3i8d h TRP 168 Ca 0.33 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.33 3i8d h TRP 168 Cb -0.04 0.02 -0.03 0.00 -2.10 0.00 0.00 29.16 27.01 3i8d h TRP 168 CO -0.02 -0.01 0.29 -0.07 -2.79 0.00 0.00 178.44 175.84 3i8d h LEU 169 N 0.17 0.79 -0.35 0.65 3.38 -0.56 -1.65 115.31 117.76 3i8d h LEU 169 Ca 0.18 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3i8d h LEU 169 Cb 0.22 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3i8d h LEU 169 CO -0.25 0.68 0.00 0.59 0.09 0.00 0.00 178.44 179.55 3i8d n ASN 170 N -4.35 0.65 0.00 -0.43 5.03 0.00 -3.81 115.26 112.36 3i8d n ASN 170 Ca 0.06 0.61 0.00 0.00 0.87 0.00 0.00 54.58 56.12 3i8d n ASN 170 Cb 0.14 -0.77 0.00 0.00 -1.02 0.00 0.00 39.78 38.13 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 -2.16 0.64 -4.07 3.41 -2.24 -0.86 -5.04 114.28 103.96 3i8d n THR 171 Ca 0.04 -0.68 -0.11 0.00 -2.27 0.00 0.00 64.05 61.03 3i8d n THR 171 Cb 0.31 0.71 -0.11 0.00 -2.10 0.00 0.00 70.33 69.15 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 -0.64 0.59 0.32 4.78 3.76 -0.68 -5.05 115.29 118.38 3i8d s HIS 172 Ca 0.00 -0.67 0.07 0.00 -0.15 0.00 0.00 55.06 54.31 3i8d s HIS 172 Cb 0.00 -0.37 -0.02 0.00 1.11 0.00 0.00 32.58 33.30 3i8d s HIS 172 CO 0.00 -0.16 0.35 0.95 -0.85 0.00 0.00 174.74 175.03 3i8d s THR 173 N -2.19 3.89 -0.01 1.30 -4.23 -1.26 -4.82 115.64 108.32 3i8d s THR 173 Ca -0.05 -1.22 -0.29 0.00 -1.18 0.00 0.00 61.69 58.95 3i8d s THR 173 Cb -0.05 -3.32 0.07 0.00 1.34 0.00 0.00 72.50 70.55 3i8d s THR 173 CO -0.02 -0.19 0.67 -0.72 -0.54 0.00 0.00 174.62 173.82 3i8d s TYR 174 N -2.23 -0.63 -0.97 3.99 -0.85 -1.26 -5.05 117.35 110.36 3i8d s TYR 174 Ca 0.41 0.96 0.12 0.00 -0.52 0.00 0.00 57.07 58.04 3i8d s TYR 174 Cb -0.07 0.44 -0.03 0.00 0.38 0.00 0.00 41.96 42.68 3i8d s TYR 174 CO 0.28 -0.65 0.65 0.39 -1.52 0.00 0.00 175.55 174.70 3i8d n GLU 175 N 0.65 2.24 -1.68 -3.49 1.02 -1.26 -4.99 120.64 113.13 3i8d n GLU 175 Ca -0.18 -0.52 -0.43 0.00 -0.02 0.00 0.00 57.16 56.00 3i8d n GLU 175 Cb 0.59 -1.12 -0.03 0.00 -0.02 0.00 0.00 31.44 30.86 3i8d n GLU 175 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3i8d n THR 176 N -0.44 0.53 -2.22 2.62 -1.04 -1.26 -4.95 114.28 107.53 3i8d n THR 176 Ca 0.04 -0.10 -0.41 0.00 -2.04 0.00 0.00 64.05 61.55 3i8d n THR 176 Cb 0.23 -2.15 -0.03 0.00 -1.82 0.00 0.00 70.33 66.57 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 3.47 4.42 -0.34 -2.82 0.02 -1.26 -4.88 135.00 133.60 3i8d s PRO 177 Ca 0.86 2.08 -0.06 0.00 0.02 0.00 0.00 61.00 63.90 3i8d s PRO 177 Cb -0.49 -3.14 0.04 0.00 0.02 0.00 0.00 34.50 30.93 3i8d s PRO 177 CO 0.41 -0.15 0.11 0.42 -0.33 0.00 0.00 177.00 177.46 3i8d s ILE 178 N -0.61 3.76 0.10 2.83 1.01 -1.26 -0.98 121.20 126.04 3i8d s ILE 178 Ca 0.52 -1.19 0.08 0.00 0.00 0.00 0.00 60.65 60.06 3i8d s ILE 178 Cb -0.37 -3.16 -0.04 0.00 0.01 0.00 0.00 42.46 38.90 3i8d s ILE 178 CO 0.45 -0.21 -0.18 -0.76 0.00 0.00 0.00 174.94 174.23 3i8d s LEU 179 N 1.39 2.69 -0.13 2.97 1.43 0.72 -4.99 118.68 122.76 3i8d s LEU 179 Ca -0.01 -0.52 -0.28 0.00 -1.03 0.00 0.00 54.13 52.28 3i8d s LEU 179 Cb -0.20 -1.55 -0.01 0.00 0.03 0.00 0.00 46.19 44.46 3i8d s LEU 179 CO 0.02 0.20 0.97 -0.75 0.23 0.00 0.00 176.35 177.02 3i8d s LYS 180 N -1.96 4.38 -0.12 1.70 2.47 -1.26 -1.80 119.74 123.15 3i8d s LYS 180 Ca 0.17 1.30 -0.29 0.00 -1.56 0.00 0.00 55.97 55.59 3i8d s LYS 180 Cb -0.11 -3.56 -0.01 0.00 -1.46 0.00 0.00 37.83 32.70 3i8d s LYS 180 CO 0.09 -0.34 0.98 -0.46 0.16 0.00 0.00 175.35 175.78 3i8d s TRP 181 N 2.13 3.49 -1.08 4.03 -0.11 0.56 -4.89 118.94 123.07 3i8d s TRP 181 Ca 0.46 1.53 -0.13 0.00 1.22 0.00 0.00 56.10 59.18 3i8d s TRP 181 Cb -0.18 -3.16 0.21 0.00 -1.50 0.00 0.00 33.47 28.84 3i8d s TRP 181 CO 0.16 -0.24 1.18 -0.65 -4.62 0.00 0.00 176.95 172.78 3i8d s GLN 182 N 2.09 3.98 0.40 5.86 -0.21 -1.26 -4.54 119.66 125.98 3i8d s GLN 182 Ca 0.46 -2.66 0.08 0.00 0.02 0.00 0.00 55.36 53.26 3i8d s GLN 182 Cb -0.18 -4.78 0.84 0.00 1.00 0.00 0.00 33.01 29.90 3i8d s GLN 182 CO 0.16 -1.52 2.01 1.15 -2.12 0.00 0.00 175.29 174.98 3i8d h THR 183 N 4.52 1.05 0.00 -0.19 2.02 -1.94 0.10 112.91 118.47 3i8d h THR 183 Ca 0.21 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 3i8d h THR 183 Cb 0.92 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 67.71 3i8d h THR 183 CO 1.07 0.11 -0.06 -2.24 0.37 0.00 0.00 175.52 174.77 3i8d h ASP 184 N 0.61 0.00 0.00 4.18 2.03 -1.90 -1.28 116.42 120.06 3i8d h ASP 184 Ca 0.23 0.00 -0.32 0.00 -0.73 0.00 0.00 57.03 56.21 3i8d h ASP 184 Cb 0.14 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 38.58 3i8d h ASP 184 CO -0.06 0.06 -2.20 0.29 -1.03 0.00 0.00 179.24 176.30 3i8d n LYS 185 N -3.19 1.09 -0.04 4.15 5.02 -0.59 -4.77 118.16 119.84 3i8d n LYS 185 Ca 0.00 0.01 0.03 0.00 -2.02 0.00 0.00 58.31 56.33 3i8d n LYS 185 Cb 0.33 -1.44 0.05 0.00 -0.02 0.00 0.00 35.03 33.95 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 -2.70 0.10 -4.19 2.13 8.01 0.25 -5.11 117.44 115.94 3i8d n TRP 186 Ca -0.30 -0.19 0.00 0.00 -1.31 0.00 0.00 57.50 55.70 3i8d n TRP 186 Cb 1.05 -0.01 0.00 0.00 -2.01 0.00 0.00 31.31 30.33 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 0.26 -1.57 3.77 6.99 0.00 -0.49 -4.91 105.19 109.24 3i8d n GLY 187 Ca 0.05 -1.30 -0.39 0.00 0.00 0.00 0.00 46.02 44.38 3i8d n GLY 187 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i8d s GLU 188 N 0.00 4.23 0.30 1.61 0.41 -1.26 -4.21 118.70 119.77 3i8d s GLU 188 Ca 0.00 1.83 -0.27 0.00 -0.41 0.00 0.00 54.97 56.12 3i8d s GLU 188 Cb 0.00 -2.81 -0.14 0.00 -1.78 0.00 0.00 34.13 29.40 3i8d s GLU 188 CO 0.00 -0.17 0.91 1.51 -0.49 0.00 0.00 175.26 177.02 3i8d n ILE 189 N 0.38 2.01 -1.66 -1.63 0.13 -1.26 -4.78 119.36 112.55 3i8d n ILE 189 Ca 0.03 -0.50 -0.46 0.00 -1.10 0.00 0.00 62.75 60.71 3i8d n ILE 189 Cb 0.46 -0.84 -0.04 0.00 -0.84 0.00 0.00 39.64 38.38 3i8d n ILE 189 CO 0.00 0.00 0.00 1.17 2.80 0.00 0.00 176.55 180.52 3i8d n LYS 190 N 0.70 1.99 -2.17 9.51 3.00 -1.26 -1.43 118.16 128.49 3i8d n LYS 190 Ca 0.11 0.72 -0.20 0.00 -0.00 0.00 0.00 58.31 58.93 3i8d n LYS 190 Cb 0.32 -2.44 -0.03 0.00 0.00 0.00 0.00 35.03 32.88 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 2.94 -0.52 -1.47 3.14 0.00 -1.26 -4.88 120.51 118.46 3i8d n ALA 191 Ca 0.16 0.21 -0.54 0.00 0.00 0.00 0.00 53.44 53.27 3i8d n ALA 191 Cb 0.28 -2.13 -0.06 0.00 0.00 0.00 0.00 19.45 17.55 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 -1.74 -0.39 0.00 0.00 -0.08 -0.52 -5.06 116.55 108.76 3i8d n ASP 192 Ca -0.23 1.15 0.06 0.00 -1.51 0.00 0.00 54.79 54.26 3i8d n ASP 192 Cb 0.68 -0.95 0.38 0.00 2.34 0.00 0.00 41.12 43.57 3i8d n ASP 192 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10