#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y91 n GLU 2 N 0.00 0.44 0.15 2.12 0.00 -1.26 -1.06 120.64 121.02 1y91 n GLU 2 Ca 0.00 0.05 0.12 0.00 0.00 0.00 0.00 57.16 57.33 1y91 n GLU 2 Cb 0.00 -1.50 0.14 0.00 0.00 0.00 0.00 31.44 30.08 1y91 n GLU 2 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 1y91 h ASN 3 N 0.00 0.00 -4.33 -1.84 4.21 -2.00 -3.46 115.58 108.15 1y91 h ASN 3 Ca 0.00 -0.03 -0.70 0.00 1.21 0.00 0.00 56.30 56.79 1y91 h ASN 3 Cb 0.16 0.00 -0.27 0.00 -1.12 0.00 0.00 38.32 37.09 1y91 h ASN 3 CO 0.00 0.01 -0.87 -0.36 -1.29 0.00 0.00 177.43 174.93 1y91 s PHE 4 N -3.24 2.37 -0.27 1.19 0.08 -0.23 0.34 117.98 118.23 1y91 s PHE 4 Ca 0.05 -0.39 -0.04 0.00 0.12 0.00 0.00 56.93 56.67 1y91 s PHE 4 Cb 0.08 -1.44 0.02 0.00 -0.57 0.00 0.00 43.02 41.11 1y91 s PHE 4 CO 0.71 0.10 0.00 -1.14 -0.10 0.00 0.00 175.22 174.79 1y91 s GLN 5 N -1.06 2.89 0.74 0.44 2.00 0.16 -4.78 119.66 120.05 1y91 s GLN 5 Ca 0.12 -0.96 -0.16 0.00 -2.00 0.00 0.00 55.36 52.36 1y91 s GLN 5 Cb -0.10 -3.16 -0.01 0.00 0.80 0.00 0.00 33.01 30.54 1y91 s GLN 5 CO 0.01 -0.44 0.76 1.63 -0.50 0.00 0.00 175.29 176.75 1y91 n LYS 6 N 4.74 0.35 0.00 1.67 5.02 -1.26 -1.12 118.16 127.57 1y91 n LYS 6 Ca -0.15 0.17 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1y91 n LYS 6 Cb 0.47 -2.04 0.00 0.00 -0.02 0.00 0.00 35.03 33.44 1y91 n LYS 6 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1y91 n VAL 7 N -2.56 0.01 -3.50 -0.18 0.31 0.13 -4.75 118.33 107.80 1y91 n VAL 7 Ca 0.11 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.35 1y91 n VAL 7 Cb 0.50 -1.26 -0.03 0.00 -0.91 0.00 0.00 33.84 32.14 1y91 n VAL 7 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1y91 s GLU 8 N -2.00 0.87 -0.10 5.55 -1.05 -1.14 -4.97 118.70 115.86 1y91 s GLU 8 Ca 0.00 -0.23 -0.29 0.00 -0.15 0.00 0.00 54.97 54.30 1y91 s GLU 8 Cb 0.00 0.40 -0.04 0.00 -0.44 0.00 0.00 34.13 34.05 1y91 s GLU 8 CO 0.00 -0.36 1.47 0.21 0.95 0.00 0.00 175.26 177.53 1y91 s LYS 9 N -2.80 4.21 0.00 -4.83 2.20 -1.26 0.96 119.74 118.22 1y91 s LYS 9 Ca 0.02 1.95 0.23 0.00 -0.36 0.00 0.00 55.97 57.81 1y91 s LYS 9 Cb -0.01 -3.87 0.04 0.00 -1.51 0.00 0.00 37.83 32.48 1y91 s LYS 9 CO -0.07 -0.77 1.12 0.44 -0.36 0.00 0.00 175.35 175.71 1y91 n ILE 10 N 5.39 0.00 0.00 5.43 -5.35 0.11 -4.87 119.36 120.07 1y91 n ILE 10 Ca 0.16 -0.32 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 1y91 n ILE 10 Cb 0.44 1.31 0.00 0.00 -1.74 0.00 0.00 39.64 39.65 1y91 n ILE 10 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1y91 n GLY 11 N 1.39 0.72 3.45 3.28 0.00 -1.15 -5.00 105.19 107.88 1y91 n GLY 11 Ca 0.10 -1.03 -0.14 0.00 0.00 0.00 0.00 46.02 44.95 1y91 n GLY 11 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1y91 s GLU 12 N -2.00 0.64 0.00 1.61 -1.05 -1.26 -1.28 118.70 115.36 1y91 s GLU 12 Ca 0.00 0.76 0.00 0.00 -0.15 0.00 0.00 54.97 55.58 1y91 s GLU 12 Cb 0.00 0.31 0.00 0.00 -0.44 0.00 0.00 34.13 34.00 1y91 s GLU 12 CO 0.00 -0.08 0.00 0.41 0.95 0.00 0.00 175.26 176.54 1y91 n GLY 13 N 2.78 5.92 0.22 -3.83 0.00 0.09 -4.99 105.19 105.38 1y91 n GLY 13 Ca -0.14 -2.04 -0.09 0.00 0.00 0.00 0.00 46.02 43.76 1y91 n GLY 13 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1y91 h THR 14 N 0.48 1.31 0.00 2.61 2.02 -2.00 -3.36 112.91 113.97 1y91 h THR 14 Ca 0.00 -1.68 -0.09 0.00 0.77 0.00 0.00 66.41 65.41 1y91 h THR 14 Cb 0.00 1.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 1y91 h THR 14 CO 0.00 0.53 -0.55 1.88 0.37 0.00 0.00 175.52 177.75 1y91 h TYR 15 N 0.48 0.00 -3.61 3.16 0.05 -1.95 -2.08 116.97 113.03 1y91 h TYR 15 Ca 0.03 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.69 1y91 h TYR 15 Cb 1.01 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 38.69 1y91 h TYR 15 CO 0.04 0.90 -0.02 0.20 -1.05 0.00 0.00 178.16 178.23 1y91 s GLY 16 N -4.37 0.78 0.14 3.88 0.00 -1.25 -4.19 107.32 102.31 1y91 s GLY 16 Ca -0.19 -1.03 0.04 0.00 0.00 0.00 0.00 44.72 43.54 1y91 s GLY 16 CO 0.49 -0.64 0.13 -1.34 0.00 0.00 0.00 173.10 171.74 1y91 s VAL 17 N -3.26 4.60 -0.16 1.40 -7.23 -1.10 -0.73 120.40 113.92 1y91 s VAL 17 Ca 0.23 -0.93 0.00 0.00 -1.81 0.00 0.00 61.98 59.47 1y91 s VAL 17 Cb -0.02 -3.31 0.00 0.00 0.56 0.00 0.00 36.38 33.61 1y91 s VAL 17 CO 0.13 -0.03 -0.16 -0.69 -0.31 0.00 0.00 175.10 174.05 1y91 s VAL 18 N -1.64 2.58 -0.07 1.32 1.01 -0.41 -1.22 120.40 121.98 1y91 s VAL 18 Ca 0.31 -0.79 -0.00 0.00 0.00 0.00 0.00 61.98 61.49 1y91 s VAL 18 Cb -0.11 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 1y91 s VAL 18 CO 0.24 0.51 -0.02 -0.31 0.00 0.00 0.00 175.10 175.52 1y91 s TYR 19 N 0.94 3.07 0.25 5.22 1.51 -0.24 0.09 117.35 128.19 1y91 s TYR 19 Ca -0.03 0.12 -0.30 0.00 -1.01 0.00 0.00 57.07 55.85 1y91 s TYR 19 Cb -0.15 -1.74 -0.09 0.00 -0.11 0.00 0.00 41.96 39.87 1y91 s TYR 19 CO -0.02 0.42 1.26 0.21 -1.11 0.00 0.00 175.55 176.31 1y91 s LYS 20 N -0.97 4.44 -0.03 -0.62 2.20 0.27 -0.79 119.74 124.24 1y91 s LYS 20 Ca 0.14 2.03 -0.08 0.00 -0.36 0.00 0.00 55.97 57.70 1y91 s LYS 20 Cb -0.11 -3.17 0.01 0.00 -1.51 0.00 0.00 37.83 33.05 1y91 s LYS 20 CO 0.03 -0.13 0.18 0.00 -0.36 0.00 0.00 175.35 175.07 1y91 s ALA 21 N -0.46 -0.44 -0.11 3.13 0.00 -0.17 0.22 121.76 123.94 1y91 s ALA 21 Ca 0.52 0.18 -0.00 0.00 0.00 0.00 0.00 51.96 52.65 1y91 s ALA 21 Cb -0.36 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 22.68 1y91 s ALA 21 CO 0.42 -0.17 -0.09 1.03 0.00 0.00 0.00 175.76 176.95 1y91 s ARG 22 N -0.82 3.15 -0.52 0.00 0.52 -0.27 -0.36 118.95 120.65 1y91 s ARG 22 Ca -0.09 -0.60 -0.27 0.00 -0.52 0.00 0.00 55.73 54.25 1y91 s ARG 22 Cb -0.05 -2.66 -0.09 0.00 0.52 0.00 0.00 34.95 32.68 1y91 s ARG 22 CO 0.01 0.41 2.43 -1.71 0.02 0.00 0.00 175.30 176.46 1y91 n ASN 23 N 2.98 2.16 -0.64 0.23 2.85 -0.50 0.36 115.26 122.69 1y91 n ASN 23 Ca -0.18 -0.36 0.49 0.00 -0.11 0.00 0.00 54.58 54.42 1y91 n ASN 23 Cb 0.53 -1.50 0.75 0.00 1.24 0.00 0.00 39.78 40.80 1y91 n ASN 23 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1y91 n LYS 24 N 8.91 0.00 -0.00 1.20 5.02 0.15 -0.47 118.16 132.97 1y91 n LYS 24 Ca 0.40 1.04 -0.00 0.00 -2.02 0.00 0.00 58.31 57.72 1y91 n LYS 24 Cb 0.47 -2.41 -0.00 0.00 -0.02 0.00 0.00 35.03 33.07 1y91 n LYS 24 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1y91 h LEU 25 N 0.00 0.00 -0.21 -0.35 4.07 -1.87 -3.43 115.31 113.52 1y91 h LEU 25 Ca 0.86 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.82 1y91 h LEU 25 Cb 3.56 0.00 0.00 0.00 1.08 0.00 0.00 40.66 45.30 1y91 h LEU 25 CO -0.01 0.04 -0.38 1.07 -1.08 0.00 0.00 178.44 178.07 1y91 n THR 26 N -2.29 0.00 0.00 0.22 5.66 -0.63 -4.96 114.28 112.28 1y91 n THR 26 Ca -0.00 -0.06 0.00 0.00 -3.05 0.00 0.00 64.05 60.94 1y91 n THR 26 Cb 0.01 0.29 0.00 0.00 -1.55 0.00 0.00 70.33 69.08 1y91 n THR 26 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1y91 n GLY 27 N 1.43 2.27 3.64 1.09 0.00 0.38 -4.96 105.19 109.03 1y91 n GLY 27 Ca 0.09 0.00 -0.61 0.00 0.00 0.00 0.00 46.02 45.50 1y91 n GLY 27 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1y91 n GLU 28 N -1.79 0.64 -2.78 1.61 2.13 -1.26 -4.57 120.64 114.62 1y91 n GLU 28 Ca 0.00 0.23 -0.42 0.00 0.66 0.00 0.00 57.16 57.63 1y91 n GLU 28 Cb 0.00 -1.87 -0.03 0.00 0.27 0.00 0.00 31.44 29.80 1y91 n GLU 28 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1y91 s VAL 29 N 4.05 4.89 0.21 6.31 1.01 -1.26 -1.42 120.40 134.19 1y91 s VAL 29 Ca 1.04 1.92 -0.02 0.00 0.00 0.00 0.00 61.98 64.93 1y91 s VAL 29 Cb -1.24 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 30.85 1y91 s VAL 29 CO 0.69 0.15 0.16 0.68 0.00 0.00 0.00 175.10 176.78 1y91 s VAL 30 N 1.17 0.00 -0.09 2.92 -7.23 0.51 -4.47 120.40 113.21 1y91 s VAL 30 Ca 0.48 -1.95 -0.00 0.00 -1.81 0.00 0.00 61.98 58.70 1y91 s VAL 30 Cb -0.20 -2.48 -0.03 0.00 0.56 0.00 0.00 36.38 34.24 1y91 s VAL 30 CO 0.24 0.00 -0.06 0.00 -0.31 0.00 0.00 175.10 174.97 1y91 s ALA 31 N -4.14 2.98 -0.27 1.32 0.00 -0.53 -1.00 121.76 120.13 1y91 s ALA 31 Ca 0.38 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.48 1y91 s ALA 31 Cb 0.06 -1.30 0.07 0.00 0.00 0.00 0.00 23.12 21.96 1y91 s ALA 31 CO 0.12 0.50 -0.02 -1.17 0.00 0.00 0.00 175.76 175.18 1y91 s LEU 32 N -0.56 3.05 -0.23 0.00 1.98 0.03 -0.32 118.68 122.64 1y91 s LEU 32 Ca 0.08 -1.44 -0.17 0.00 -2.89 0.00 0.00 54.13 49.71 1y91 s LEU 32 Cb -0.12 -1.27 -0.03 0.00 0.66 0.00 0.00 46.19 45.43 1y91 s LEU 32 CO 0.02 -0.28 0.48 -0.75 -1.89 0.00 0.00 176.35 173.94 1y91 s LYS 33 N 1.29 4.13 -0.15 1.98 2.20 -0.25 -1.08 119.74 127.86 1y91 s LYS 33 Ca -0.01 0.31 -0.16 0.00 -0.36 0.00 0.00 55.97 55.74 1y91 s LYS 33 Cb -0.19 -3.60 -0.04 0.00 -1.51 0.00 0.00 37.83 32.49 1y91 s LYS 33 CO -0.09 -0.22 0.40 0.15 -0.36 0.00 0.00 175.35 175.24 1y91 s LYS 34 N 1.86 4.28 -0.11 4.03 1.02 -0.35 -1.06 119.74 129.40 1y91 s LYS 34 Ca 0.21 0.28 0.03 0.00 0.02 0.00 0.00 55.97 56.52 1y91 s LYS 34 Cb -0.15 -3.46 0.00 0.00 -0.52 0.00 0.00 37.83 33.70 1y91 s LYS 34 CO 0.09 0.13 -0.22 0.42 -0.92 0.00 0.00 175.35 174.85 1y91 s ILE 35 N 0.75 2.18 0.82 2.17 1.01 0.32 -2.70 121.20 125.74 1y91 s ILE 35 Ca 0.21 -0.96 -0.11 0.00 0.00 0.00 0.00 60.65 59.79 1y91 s ILE 35 Cb -0.14 -1.85 0.11 0.00 0.01 0.00 0.00 42.46 40.58 1y91 s ILE 35 CO 0.08 0.55 1.17 0.00 0.00 0.00 0.00 174.94 176.73 1y91 s ARG 36 N 0.48 1.69 -0.26 2.79 1.04 -1.26 -1.46 118.95 121.97 1y91 s ARG 36 Ca -0.15 -0.16 -0.24 0.00 -1.04 0.00 0.00 55.73 54.15 1y91 s ARG 36 Cb -0.17 -2.00 -0.10 0.00 -2.04 0.00 0.00 34.95 30.64 1y91 s ARG 36 CO 0.06 -1.70 0.89 1.47 -0.04 0.00 0.00 175.30 175.98 1y91 n LEU 37 N -3.31 0.56 0.16 -1.89 -0.00 -1.25 -4.85 117.00 106.43 1y91 n LEU 37 Ca 0.10 0.54 0.00 0.00 -0.00 0.00 0.00 56.01 56.65 1y91 n LEU 37 Cb 0.60 -0.45 0.00 0.00 -0.00 0.00 0.00 43.42 43.57 1y91 n LEU 37 CO 0.52 -0.42 0.00 -2.65 -0.00 0.00 0.00 177.39 174.84 1y91 n PRO 45 N 2.51 0.00 0.17 1.47 -0.02 -1.26 -5.12 135.00 132.74 1y91 n PRO 45 Ca 0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 1y91 n PRO 45 Cb -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.45 1y91 n PRO 45 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1y91 n SER 46 N -3.29 -1.15 0.08 2.55 3.41 -1.26 -4.82 113.62 109.15 1y91 n SER 46 Ca 0.00 0.59 0.13 0.00 -0.26 0.00 0.00 58.87 59.33 1y91 n SER 46 Cb 0.00 1.25 0.37 0.00 -0.26 0.00 0.00 64.21 65.57 1y91 n SER 46 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1y91 n THR 47 N -3.46 0.48 -0.05 6.66 -2.24 -1.26 -3.46 114.28 110.94 1y91 n THR 47 Ca 0.00 -0.25 -0.15 0.00 -2.27 0.00 0.00 64.05 61.38 1y91 n THR 47 Cb 0.00 -0.46 -0.07 0.00 -2.10 0.00 0.00 70.33 67.71 1y91 n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1y91 h ALA 48 N 2.57 0.28 -0.16 6.98 0.00 -1.90 -1.08 119.26 125.96 1y91 h ALA 48 Ca 0.00 -0.44 0.05 0.00 0.00 0.00 0.00 54.91 54.51 1y91 h ALA 48 Cb 0.71 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.39 1y91 h ALA 48 CO 0.00 0.36 -0.41 0.82 0.00 0.00 0.00 179.25 180.02 1y91 h ILE 49 N 0.21 0.16 -0.62 0.00 5.03 -1.87 1.08 117.51 121.49 1y91 h ILE 49 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.75 1y91 h ILE 49 Cb 0.97 0.16 -0.03 0.00 -3.03 0.00 0.00 36.82 34.89 1y91 h ILE 49 CO 0.08 0.00 0.40 0.03 -0.68 0.00 0.00 178.15 177.98 1y91 h ARG 50 N -0.47 0.82 0.53 2.37 3.08 -1.59 0.19 114.38 119.31 1y91 h ARG 50 Ca 0.08 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 1y91 h ARG 50 Cb 0.61 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 1y91 h ARG 50 CO -0.41 0.56 -0.48 1.49 -1.07 0.00 0.00 179.97 180.06 1y91 h GLU 51 N 0.84 -0.96 -0.27 0.04 4.57 -0.55 0.13 114.58 118.37 1y91 h GLU 51 Ca 0.23 0.07 0.06 0.00 -1.18 0.00 0.00 59.36 58.53 1y91 h GLU 51 Cb -0.08 0.22 -0.06 0.00 -0.16 0.00 0.00 28.75 28.67 1y91 h GLU 51 CO -0.05 -0.64 -0.13 0.82 -1.18 0.00 0.00 179.01 177.83 1y91 h ILE 52 N -1.00 0.59 -0.14 2.32 1.08 0.16 -0.99 117.51 119.53 1y91 h ILE 52 Ca -0.06 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.43 1y91 h ILE 52 Cb 0.86 0.59 -0.01 0.00 -3.07 0.00 0.00 36.82 35.20 1y91 h ILE 52 CO -0.04 0.00 0.10 0.28 -0.69 0.00 0.00 178.15 177.80 1y91 h SER 53 N -0.09 0.07 0.23 1.72 0.02 -0.44 -0.86 113.55 114.20 1y91 h SER 53 Ca 0.14 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 1y91 h SER 53 Cb 0.31 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.83 1y91 h SER 53 CO -0.33 0.05 -0.10 -0.07 -1.14 0.00 0.00 176.83 175.24 1y91 h LEU 54 N 0.08 0.00 -0.84 5.07 -0.00 0.65 -2.70 115.31 117.57 1y91 h LEU 54 Ca 0.06 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 57.82 1y91 h LEU 54 Cb 0.15 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.79 1y91 h LEU 54 CO -0.01 0.10 -0.55 -0.07 -0.00 0.00 0.00 178.44 177.91 1y91 h LEU 55 N 0.00 0.11 -2.25 1.67 3.38 -0.96 -3.13 115.31 114.12 1y91 h LEU 55 Ca -0.00 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 57.95 1y91 h LEU 55 Cb 0.24 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1y91 h LEU 55 CO 0.01 0.63 0.24 0.50 0.09 0.00 0.00 178.44 179.92 1y91 h LYS 56 N 0.07 0.00 0.00 1.13 3.64 -1.50 0.21 116.57 120.12 1y91 h LYS 56 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1y91 h LYS 56 Cb 0.99 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 1y91 h LYS 56 CO 0.08 0.00 -1.16 0.39 -2.27 0.00 0.00 179.45 176.49 1y91 n GLU 57 N -3.42 0.49 -2.75 1.90 -0.58 -1.18 -4.67 120.64 110.42 1y91 n GLU 57 Ca 0.01 0.02 -0.44 0.00 -0.42 0.00 0.00 57.16 56.33 1y91 n GLU 57 Cb 0.34 -1.69 0.00 0.00 -0.57 0.00 0.00 31.44 29.53 1y91 n GLU 57 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1y91 n LEU 58 N -2.33 5.58 -4.58 -4.62 7.94 0.73 -4.95 117.00 114.77 1y91 n LEU 58 Ca 0.00 -4.46 -0.34 0.00 -1.11 0.00 0.00 56.01 50.10 1y91 n LEU 58 Cb 0.51 -1.60 -0.11 0.00 0.53 0.00 0.00 43.42 42.75 1y91 n LEU 58 CO 0.41 0.85 -0.31 0.20 -1.11 0.00 0.00 177.39 177.43 1y91 s ASN 59 N 2.46 5.14 -0.07 1.96 0.02 -1.26 -4.95 114.94 118.24 1y91 s ASN 59 Ca 0.43 -0.01 -0.19 0.00 -1.02 0.00 0.00 52.86 52.07 1y91 s ASN 59 Cb 0.01 -1.77 0.04 0.00 0.02 0.00 0.00 41.25 39.55 1y91 s ASN 59 CO 0.01 0.21 0.45 -2.28 0.02 0.00 0.00 177.10 175.52 1y91 s HIS 60 N 0.10 -0.41 0.59 2.20 2.46 -1.26 -5.03 115.29 113.94 1y91 s HIS 60 Ca 0.02 0.80 0.34 0.00 0.47 0.00 0.00 55.06 56.68 1y91 s HIS 60 Cb -0.13 0.20 1.85 0.00 -0.13 0.00 0.00 32.58 34.37 1y91 s HIS 60 CO 0.02 -0.40 2.04 -1.35 -2.47 0.00 0.00 174.74 172.57 1y91 h PRO 61 N 4.12 0.00 -0.26 2.88 0.11 -1.99 -1.94 132.00 134.92 1y91 h PRO 61 Ca -0.28 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.72 1y91 h PRO 61 Cb 1.17 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.21 1y91 h PRO 61 CO 0.34 0.00 -0.12 0.09 -0.21 0.00 0.00 178.00 178.10 1y91 n ASN 62 N -2.88 2.60 -4.04 -2.05 4.13 -1.26 -4.86 115.26 106.90 1y91 n ASN 62 Ca -0.02 -3.60 -0.24 0.00 1.68 0.00 0.00 54.58 52.40 1y91 n ASN 62 Cb 0.25 -0.59 -0.16 0.00 -1.54 0.00 0.00 39.78 37.74 1y91 n ASN 62 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1y91 s ILE 63 N -3.14 1.12 0.31 2.41 1.01 -0.73 -0.45 121.20 121.72 1y91 s ILE 63 Ca 0.42 -0.50 -0.30 0.00 0.00 0.00 0.00 60.65 60.28 1y91 s ILE 63 Cb 0.38 -1.00 -0.12 0.00 0.01 0.00 0.00 42.46 41.73 1y91 s ILE 63 CO 0.01 0.34 1.54 0.52 0.00 0.00 0.00 174.94 177.35 1y91 n VAL 64 N 3.56 1.28 -3.00 2.92 0.31 -0.16 -4.56 118.33 118.67 1y91 n VAL 64 Ca -0.21 -0.32 -0.40 0.00 -0.01 0.00 0.00 64.34 63.40 1y91 n VAL 64 Cb 0.52 -1.90 -0.05 0.00 -0.91 0.00 0.00 33.84 31.51 1y91 n VAL 64 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1y91 s LYS 65 N -0.91 4.38 -0.63 5.55 2.20 -1.26 -4.90 119.74 124.17 1y91 s LYS 65 Ca 0.62 0.90 -0.25 0.00 -0.36 0.00 0.00 55.97 56.88 1y91 s LYS 65 Cb -0.51 -3.49 0.05 0.00 -1.51 0.00 0.00 37.83 32.36 1y91 s LYS 65 CO 0.53 -0.07 1.05 -1.17 -0.36 0.00 0.00 175.35 175.32 1y91 s LEU 66 N 1.27 3.91 0.02 5.43 2.96 -1.26 -0.47 118.68 130.55 1y91 s LEU 66 Ca 0.37 -0.51 -0.25 0.00 -0.22 0.00 0.00 54.13 53.53 1y91 s LEU 66 Cb -0.17 -2.69 -0.18 0.00 0.50 0.00 0.00 46.19 43.64 1y91 s LEU 66 CO 0.16 -1.45 1.41 -0.07 -1.32 0.00 0.00 176.35 175.08 1y91 h LEU 67 N 11.63 -0.06 -7.92 -0.68 3.38 -0.81 -3.45 115.31 117.39 1y91 h LEU 67 Ca -0.27 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.39 1y91 h LEU 67 Cb 1.07 0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.74 1y91 h LEU 67 CO 1.17 0.26 0.02 -1.81 0.09 0.00 0.00 178.44 178.17 1y91 s ASP 68 N -5.44 -0.20 -0.19 -0.43 1.01 -0.99 -4.99 116.67 105.45 1y91 s ASP 68 Ca -0.15 -0.65 -0.00 0.00 0.71 0.00 0.00 52.55 52.45 1y91 s ASP 68 Cb 0.03 0.61 0.05 0.00 1.01 0.00 0.00 42.92 44.62 1y91 s ASP 68 CO 0.65 -1.14 -0.04 0.54 0.21 0.00 0.00 175.17 175.39 1y91 s VAL 69 N -3.93 1.18 -0.31 -1.27 0.11 -1.26 -1.40 120.40 113.51 1y91 s VAL 69 Ca 0.14 -0.79 -0.12 0.00 -2.93 0.00 0.00 61.98 58.28 1y91 s VAL 69 Cb -0.02 -1.41 -0.03 0.00 -1.53 0.00 0.00 36.38 33.39 1y91 s VAL 69 CO 0.03 0.03 0.22 -0.63 -3.33 0.00 0.00 175.10 171.42 1y91 s ILE 70 N 1.59 5.28 -0.29 7.04 1.01 -0.25 -5.01 121.20 130.56 1y91 s ILE 70 Ca -0.01 -0.05 -0.08 0.00 0.00 0.00 0.00 60.65 60.51 1y91 s ILE 70 Cb -0.16 -3.62 -0.00 0.00 0.01 0.00 0.00 42.46 38.68 1y91 s ILE 70 CO -0.07 0.11 0.10 -2.28 0.00 0.00 0.00 174.94 172.79 1y91 s HIS 71 N 1.74 3.14 -0.07 3.97 2.46 -1.26 -1.48 115.29 123.80 1y91 s HIS 71 Ca 0.06 -0.77 -0.12 0.00 0.47 0.00 0.00 55.06 54.70 1y91 s HIS 71 Cb -0.17 -2.28 0.02 0.00 -0.13 0.00 0.00 32.58 30.03 1y91 s HIS 71 CO 0.11 -0.51 0.29 0.95 -2.47 0.00 0.00 174.74 173.11 1y91 s THR 72 N 1.55 0.03 -0.27 0.89 -4.23 -0.81 -4.94 115.64 107.85 1y91 s THR 72 Ca 0.04 -0.24 -0.03 0.00 -1.18 0.00 0.00 61.69 60.27 1y91 s THR 72 Cb -0.17 -0.50 0.03 0.00 1.34 0.00 0.00 72.50 73.21 1y91 s THR 72 CO 0.04 -0.13 0.09 1.21 -0.54 0.00 0.00 174.62 175.28 1y91 n GLU 73 N 2.18 -2.20 0.00 3.99 2.13 -1.26 0.34 120.64 125.82 1y91 n GLU 73 Ca -0.17 0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.67 1y91 n GLU 73 Cb 0.57 -3.48 0.00 0.00 0.27 0.00 0.00 31.44 28.80 1y91 n GLU 73 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1y91 n ASN 74 N -1.25 0.00 -4.76 4.31 4.13 -1.26 -5.02 115.26 111.41 1y91 n ASN 74 Ca 0.02 0.00 -0.41 0.00 1.68 0.00 0.00 54.58 55.87 1y91 n ASN 74 Cb 0.38 -0.17 -0.03 0.00 -1.54 0.00 0.00 39.78 38.42 1y91 n ASN 74 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1y91 s LYS 75 N 0.00 4.49 -0.04 3.52 2.20 0.15 -3.83 119.74 126.23 1y91 s LYS 75 Ca 0.00 2.02 0.04 0.00 -0.36 0.00 0.00 55.97 57.67 1y91 s LYS 75 Cb 0.00 -3.13 -0.03 0.00 -1.51 0.00 0.00 37.83 33.16 1y91 s LYS 75 CO 0.00 -0.01 -0.15 -1.17 -0.36 0.00 0.00 175.35 173.66 1y91 s LEU 76 N -1.51 2.69 -0.04 5.43 2.96 -0.53 -1.92 118.68 125.75 1y91 s LEU 76 Ca 0.47 -0.23 0.01 0.00 -0.22 0.00 0.00 54.13 54.17 1y91 s LEU 76 Cb -0.36 -1.54 0.02 0.00 0.50 0.00 0.00 46.19 44.81 1y91 s LEU 76 CO 0.47 0.34 -0.04 -0.31 -1.32 0.00 0.00 176.35 175.48 1y91 s TYR 77 N -0.74 0.69 -0.16 5.38 2.02 -0.55 -0.52 117.35 123.47 1y91 s TYR 77 Ca 0.12 -0.18 -0.04 0.00 -0.37 0.00 0.00 57.07 56.60 1y91 s TYR 77 Cb -0.11 -0.64 -0.03 0.00 -0.40 0.00 0.00 41.96 40.79 1y91 s TYR 77 CO 0.01 -0.19 -0.03 -0.51 -1.57 0.00 0.00 175.55 173.27 1y91 s LEU 78 N 0.94 3.30 -0.21 -1.29 1.43 -0.22 -1.10 118.68 121.54 1y91 s LEU 78 Ca -0.11 -0.11 -0.09 0.00 -1.03 0.00 0.00 54.13 52.79 1y91 s LEU 78 Cb -0.14 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 1y91 s LEU 78 CO -0.00 0.16 0.10 -0.69 0.23 0.00 0.00 176.35 176.16 1y91 s VAL 79 N 0.39 5.01 0.17 -1.59 1.01 -0.49 -1.09 120.40 123.80 1y91 s VAL 79 Ca -0.03 0.05 0.07 0.00 0.00 0.00 0.00 61.98 62.06 1y91 s VAL 79 Cb -0.14 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 1y91 s VAL 79 CO 0.03 0.41 -0.14 -0.36 0.00 0.00 0.00 175.10 175.04 1y91 s PHE 80 N 0.71 1.55 0.64 5.22 0.08 0.57 -0.08 117.98 126.67 1y91 s PHE 80 Ca 0.05 -0.60 -0.17 0.00 0.12 0.00 0.00 56.93 56.33 1y91 s PHE 80 Cb -0.13 -0.75 -0.03 0.00 -0.57 0.00 0.00 43.02 41.53 1y91 s PHE 80 CO 0.02 0.25 0.91 -1.91 -0.10 0.00 0.00 175.22 174.38 1y91 n GLU 81 N -0.09 0.72 -4.74 0.44 2.13 0.39 -1.45 120.64 118.03 1y91 n GLU 81 Ca -0.11 0.29 -0.33 0.00 0.66 0.00 0.00 57.16 57.67 1y91 n GLU 81 Cb 0.59 -2.13 -0.13 0.00 0.27 0.00 0.00 31.44 30.04 1y91 n GLU 81 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 1y91 s PHE 82 N -1.63 2.82 0.13 4.31 2.19 -1.26 -4.19 117.98 120.35 1y91 s PHE 82 Ca 0.75 -0.34 0.10 0.00 0.33 0.00 0.00 56.93 57.77 1y91 s PHE 82 Cb -0.39 -1.77 -0.04 0.00 -1.31 0.00 0.00 43.02 39.51 1y91 s PHE 82 CO 0.48 0.03 -0.24 -0.51 1.83 0.00 0.00 175.22 176.81 1y91 s LEU 83 N -0.18 2.32 0.00 6.12 1.02 -1.26 -4.99 118.68 121.71 1y91 s LEU 83 Ca 0.01 -0.74 0.26 0.00 0.02 0.00 0.00 54.13 53.68 1y91 s LEU 83 Cb -0.13 -1.08 0.66 0.00 0.02 0.00 0.00 46.19 45.65 1y91 s LEU 83 CO 0.03 0.12 1.51 1.41 0.02 0.00 0.00 176.35 179.44 1y91 n HIS 84 N 0.91 0.00 -3.48 0.29 8.25 -1.24 -4.95 115.22 114.99 1y91 n HIS 84 Ca -0.18 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.18 1y91 n HIS 84 Cb 0.54 -0.23 -0.02 0.00 1.12 0.00 0.00 29.99 31.39 1y91 n HIS 84 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1y91 s GLN 85 N -2.84 0.96 0.37 -0.41 0.74 -1.25 -5.05 119.66 112.18 1y91 s GLN 85 Ca 0.16 -0.31 0.08 0.00 0.05 0.00 0.00 55.36 55.34 1y91 s GLN 85 Cb 0.18 0.44 -0.05 0.00 1.10 0.00 0.00 33.01 34.68 1y91 s GLN 85 CO 0.63 -0.41 0.09 0.16 -0.55 0.00 0.00 175.29 175.21 1y91 s ASP 86 N -2.45 4.30 0.46 6.67 1.47 -1.26 -1.08 116.67 124.77 1y91 s ASP 86 Ca 0.03 -1.04 0.25 0.00 1.18 0.00 0.00 52.55 52.97 1y91 s ASP 86 Cb -0.01 -0.52 0.99 0.00 -0.34 0.00 0.00 42.92 43.04 1y91 s ASP 86 CO -0.09 -0.38 1.85 0.25 0.68 0.00 0.00 175.17 177.48 1y91 h LEU 87 N 1.63 0.00 0.07 2.11 5.85 -1.26 -2.55 115.31 121.16 1y91 h LEU 87 Ca -0.43 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.29 1y91 h LEU 87 Cb 1.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.28 1y91 h LEU 87 CO 0.69 0.19 -0.03 0.50 -0.34 0.00 0.00 178.44 179.45 1y91 h LYS 88 N 0.00 -0.09 -0.31 1.25 3.64 -1.85 0.19 116.57 119.40 1y91 h LYS 88 Ca -0.00 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1y91 h LYS 88 Cb 0.71 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.53 1y91 h LYS 88 CO 0.03 0.30 0.10 -0.22 -2.27 0.00 0.00 179.45 177.39 1y91 h LYS 89 N -0.51 0.44 -0.07 1.90 3.64 -1.89 0.23 116.57 120.30 1y91 h LYS 89 Ca -0.01 -0.06 -0.22 0.00 -1.27 0.00 0.00 60.65 59.09 1y91 h LYS 89 Cb 0.44 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.18 1y91 h LYS 89 CO 0.02 0.38 -0.85 0.35 -2.27 0.00 0.00 179.45 177.08 1y91 h PHE 90 N 0.44 0.81 -0.49 1.91 3.57 -1.33 -1.77 116.94 120.07 1y91 h PHE 90 Ca 0.11 -0.39 -0.03 0.00 3.53 0.00 0.00 57.97 61.19 1y91 h PHE 90 Cb 0.13 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 1y91 h PHE 90 CO 0.00 1.20 0.19 0.52 -2.23 0.00 0.00 178.31 177.99 1y91 h MET 91 N 0.37 0.74 0.37 1.11 2.86 0.64 -2.22 114.93 118.80 1y91 h MET 91 Ca -0.07 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.43 1y91 h MET 91 Cb 1.47 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 33.00 1y91 h MET 91 CO 0.16 0.67 -0.27 -0.44 1.06 0.00 0.00 176.91 178.08 1y91 h ASP 92 N 0.65 -0.70 0.00 1.22 3.32 -0.47 -2.20 116.42 118.25 1y91 h ASP 92 Ca 0.16 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1y91 h ASP 92 Cb 0.21 0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1y91 h ASP 92 CO -0.01 -0.42 0.29 0.00 -1.72 0.00 0.00 179.24 177.38 1y91 n ALA 93 N -2.50 0.58 0.54 3.45 0.00 -0.68 -1.33 120.51 120.57 1y91 n ALA 93 Ca -0.10 0.08 0.06 0.00 0.00 0.00 0.00 53.44 53.48 1y91 n ALA 93 Cb 0.30 -0.69 -0.04 0.00 0.00 0.00 0.00 19.45 19.02 1y91 n ALA 93 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1y91 n SER 94 N -1.81 0.91 -0.30 0.00 7.64 -0.85 -4.82 113.62 114.39 1y91 n SER 94 Ca -0.01 -0.96 0.12 0.00 1.01 0.00 0.00 58.87 59.04 1y91 n SER 94 Cb 0.30 0.76 0.27 0.00 -1.01 0.00 0.00 64.21 64.54 1y91 n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1y91 h ALA 95 N 1.85 1.18 -0.65 -0.43 0.00 -0.70 8.37 119.26 128.88 1y91 h ALA 95 Ca 0.00 0.25 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 1y91 h ALA 95 Cb 0.34 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1y91 h ALA 95 CO 0.00 -0.49 0.08 -0.07 0.00 0.00 0.00 179.25 178.76 1y91 h LEU 96 N 0.14 1.06 0.00 0.00 4.07 -1.88 -3.30 115.31 115.40 1y91 h LEU 96 Ca 0.54 -0.27 0.00 0.00 0.08 0.00 0.00 57.88 58.23 1y91 h LEU 96 Cb 1.10 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 42.55 1y91 h LEU 96 CO -0.72 1.06 -1.02 1.07 -1.08 0.00 0.00 178.44 177.76 1y91 n THR 97 N -4.21 0.00 -0.80 0.22 5.66 -0.00 -5.13 114.28 110.02 1y91 n THR 97 Ca 0.04 -0.25 0.09 0.00 -3.05 0.00 0.00 64.05 60.88 1y91 n THR 97 Cb 0.31 0.61 -0.05 0.00 -1.55 0.00 0.00 70.33 69.65 1y91 n THR 97 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1y91 n GLY 98 N 1.59 -3.08 3.72 1.09 0.00 2.65 -4.86 105.19 106.30 1y91 n GLY 98 Ca -0.00 -1.22 -0.42 0.00 0.00 0.00 0.00 46.02 44.38 1y91 n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y91 s ILE 99 N -3.78 3.69 0.50 -0.61 1.01 -1.26 -4.94 121.20 115.80 1y91 s ILE 99 Ca 0.00 1.24 -0.23 0.00 0.00 0.00 0.00 60.65 61.65 1y91 s ILE 99 Cb 0.00 -3.79 -0.07 0.00 0.01 0.00 0.00 42.46 38.61 1y91 s ILE 99 CO 0.00 0.11 1.39 -2.84 0.00 0.00 0.00 174.94 173.60 1y91 s PRO 100 N 0.88 3.41 0.22 2.79 0.02 -1.26 -4.64 135.00 136.42 1y91 s PRO 100 Ca 0.60 2.32 -0.10 0.00 0.02 0.00 0.00 61.00 63.84 1y91 s PRO 100 Cb -0.33 -2.46 0.31 0.00 0.02 0.00 0.00 34.50 32.05 1y91 s PRO 100 CO 0.31 -1.00 1.67 1.25 -0.33 0.00 0.00 177.00 178.89 1y91 h LEU 101 N 1.89 -0.23 -1.65 -5.54 5.85 -1.99 0.16 115.31 113.80 1y91 h LEU 101 Ca -0.51 0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.40 1y91 h LEU 101 Cb 1.28 0.26 -0.03 0.00 0.37 0.00 0.00 40.66 42.54 1y91 h LEU 101 CO 0.59 -0.10 0.30 -0.65 -0.34 0.00 0.00 178.44 178.25 1y91 h PRO 102 N 0.14 0.43 -0.28 5.25 0.11 -1.99 0.11 132.00 135.78 1y91 h PRO 102 Ca 0.33 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 66.32 1y91 h PRO 102 Cb 0.54 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 1y91 h PRO 102 CO -0.52 0.29 -0.20 1.25 -0.21 0.00 0.00 178.00 178.60 1y91 h LEU 103 N 0.45 0.66 -0.48 2.35 5.85 -1.36 -1.29 115.31 121.49 1y91 h LEU 103 Ca 0.19 -0.44 0.03 0.00 0.84 0.00 0.00 57.88 58.50 1y91 h LEU 103 Cb 0.20 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 1y91 h LEU 103 CO -0.05 0.96 0.26 0.40 -0.34 0.00 0.00 178.44 179.67 1y91 h ILE 104 N 0.36 1.00 -0.59 4.05 2.04 -0.10 -0.33 117.51 123.94 1y91 h ILE 104 Ca 0.05 -0.18 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 1y91 h ILE 104 Cb 0.75 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 1y91 h ILE 104 CO 0.05 0.09 0.22 0.50 0.00 0.00 0.00 178.15 179.02 1y91 h LYS 105 N 0.52 0.90 -0.33 2.37 3.64 -0.82 -0.61 116.57 122.23 1y91 h LYS 105 Ca 0.20 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1y91 h LYS 105 Cb 0.07 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 1y91 h LYS 105 CO -0.12 0.78 0.17 1.03 -2.27 0.00 0.00 179.45 179.04 1y91 h SER 106 N 0.83 0.43 0.36 4.20 0.87 -1.02 -0.38 113.55 118.82 1y91 h SER 106 Ca 0.19 -0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 60.63 1y91 h SER 106 Cb 0.23 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1y91 h SER 106 CO -0.01 0.41 -0.19 1.88 -0.53 0.00 0.00 176.83 178.39 1y91 h TYR 107 N 0.41 -0.49 -0.56 2.24 0.05 -0.82 -1.37 116.97 116.43 1y91 h TYR 107 Ca 0.12 -0.01 0.11 0.00 0.05 0.00 0.00 58.73 59.00 1y91 h TYR 107 Cb 0.09 0.17 -0.10 0.00 1.01 0.00 0.00 36.73 37.90 1y91 h TYR 107 CO -0.02 -0.30 -0.02 1.25 -1.05 0.00 0.00 178.16 178.01 1y91 h LEU 108 N -0.51 -0.29 -0.58 3.88 5.85 -1.10 -1.59 115.31 120.97 1y91 h LEU 108 Ca -0.05 0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.86 1y91 h LEU 108 Cb 0.40 0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.65 1y91 h LEU 108 CO 0.07 -0.11 0.32 0.15 -0.34 0.00 0.00 178.44 178.53 1y91 h PHE 109 N 0.10 0.59 -0.32 1.25 3.57 -0.94 -0.96 116.94 120.23 1y91 h PHE 109 Ca 0.29 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.73 1y91 h PHE 109 Cb 0.45 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 1y91 h PHE 109 CO -0.36 0.30 -0.13 1.96 -2.23 0.00 0.00 178.31 177.85 1y91 h GLN 110 N 0.61 0.65 -0.93 1.11 4.20 -0.89 -2.79 115.11 117.07 1y91 h GLN 110 Ca 0.25 -0.27 0.04 0.00 0.06 0.00 0.00 58.65 58.73 1y91 h GLN 110 Cb 0.12 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 27.82 1y91 h GLN 110 CO -0.15 0.85 0.60 -0.07 -0.67 0.00 0.00 178.83 179.39 1y91 h LEU 111 N 0.41 0.99 -0.66 1.46 3.38 -1.15 0.11 115.31 119.86 1y91 h LEU 111 Ca 0.07 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.05 1y91 h LEU 111 Cb 0.64 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 1y91 h LEU 111 CO 0.04 0.67 0.43 -0.07 0.09 0.00 0.00 178.44 179.60 1y91 h LEU 112 N 1.15 0.72 -0.09 1.67 3.38 -1.16 0.56 115.31 121.55 1y91 h LEU 112 Ca 0.38 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.33 1y91 h LEU 112 Cb 0.03 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 1y91 h LEU 112 CO -0.13 0.52 0.02 1.56 0.09 0.00 0.00 178.44 180.50 1y91 h GLN 113 N 0.86 0.14 -0.81 1.13 4.20 -1.21 1.13 115.11 120.55 1y91 h GLN 113 Ca 0.25 -0.03 0.13 0.00 0.06 0.00 0.00 58.65 59.05 1y91 h GLN 113 Cb -0.06 -0.02 -0.14 0.00 0.30 0.00 0.00 27.48 27.57 1y91 h GLN 113 CO -0.07 0.31 -0.39 0.78 -0.67 0.00 0.00 178.83 178.79 1y91 h GLY 114 N -0.06 -0.10 1.34 3.46 0.00 -0.39 -2.50 103.07 104.81 1y91 h GLY 114 Ca 0.03 0.51 -0.15 0.00 0.00 0.00 0.00 47.33 47.72 1y91 h GLY 114 CO -0.00 -0.19 -0.42 1.41 0.00 0.00 0.00 176.54 177.35 1y91 h LEU 115 N -0.08 0.77 -1.23 3.11 3.38 0.14 -1.59 115.31 119.81 1y91 h LEU 115 Ca 0.28 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1y91 h LEU 115 Cb 0.57 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1y91 h LEU 115 CO -0.85 1.09 0.15 0.00 0.09 0.00 0.00 178.44 178.92 1y91 h ALA 116 N 0.94 1.39 0.69 1.53 0.00 0.16 -0.49 119.26 123.48 1y91 h ALA 116 Ca 0.04 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1y91 h ALA 116 Cb 0.96 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.56 1y91 h ALA 116 CO 0.09 0.45 -0.34 0.35 0.00 0.00 0.00 179.25 179.80 1y91 h PHE 117 N 0.68 -0.89 -0.69 0.00 3.57 -1.32 -2.16 116.94 116.12 1y91 h PHE 117 Ca 0.16 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.70 1y91 h PHE 117 Cb 0.19 0.30 -0.08 0.00 2.79 0.00 0.00 35.95 39.15 1y91 h PHE 117 CO 0.01 -0.55 -0.42 0.00 -2.23 0.00 0.00 178.31 175.12 1y91 h HIS 119 N -0.01 0.55 0.00 0.00 3.86 -1.05 -1.05 115.15 117.45 1y91 h HIS 119 Ca 0.11 -0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1y91 h HIS 119 Cb 0.29 -0.17 -0.00 0.00 1.06 0.00 0.00 27.41 28.59 1y91 h HIS 119 CO -0.99 0.46 -0.02 0.66 0.86 0.00 0.00 177.93 178.90 1y91 h SER 120 N 0.49 0.00 -0.35 2.45 4.64 -1.26 0.41 113.55 119.94 1y91 h SER 120 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1y91 h SER 120 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1y91 h SER 120 CO -0.02 0.02 0.00 1.41 -0.87 0.00 0.00 176.83 177.37 1y91 n HIS 121 N -4.03 0.46 -0.97 4.77 8.25 -0.80 -4.95 115.22 117.94 1y91 n HIS 121 Ca -0.03 -0.23 0.00 0.00 -0.26 0.00 0.00 57.72 57.20 1y91 n HIS 121 Cb 0.10 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.21 1y91 n HIS 121 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1y91 n ARG 122 N 0.57 -0.46 -3.52 -0.41 5.12 0.15 -5.01 116.66 113.09 1y91 n ARG 122 Ca 0.13 0.12 -0.37 0.00 -1.93 0.00 0.00 57.85 55.80 1y91 n ARG 122 Cb 0.32 -3.47 -0.07 0.00 -1.16 0.00 0.00 32.46 28.08 1y91 n ARG 122 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1y91 s VAL 123 N -1.98 5.30 0.06 1.55 1.01 -0.46 -4.96 120.40 120.92 1y91 s VAL 123 Ca 0.00 0.55 0.02 0.00 0.00 0.00 0.00 61.98 62.56 1y91 s VAL 123 Cb 0.00 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 1y91 s VAL 123 CO 0.00 0.37 0.06 -0.76 0.00 0.00 0.00 175.10 174.77 1y91 s LEU 124 N 0.59 3.75 -0.08 3.92 1.43 -1.26 -3.16 118.68 123.87 1y91 s LEU 124 Ca 0.16 0.00 -0.27 0.00 -1.03 0.00 0.00 54.13 53.00 1y91 s LEU 124 Cb -0.13 -2.37 -0.23 0.00 0.03 0.00 0.00 46.19 43.49 1y91 s LEU 124 CO 0.04 0.20 1.01 -0.74 0.23 0.00 0.00 176.35 177.09 1y91 h HIS 125 N 3.57 0.08 0.00 0.29 -0.00 -1.95 -3.38 115.15 113.77 1y91 h HIS 125 Ca -0.47 -0.04 0.00 0.00 -0.00 0.00 0.00 60.37 59.85 1y91 h HIS 125 Cb 1.17 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.57 1y91 h HIS 125 CO 0.61 0.82 0.00 -2.13 -0.00 0.00 0.00 177.93 177.24 1y91 n ARG 126 N -4.65 0.00 -2.77 5.26 0.00 -1.26 -4.20 116.66 109.04 1y91 n ARG 126 Ca -0.09 0.00 -0.11 0.00 -0.00 0.00 0.00 57.85 57.65 1y91 n ARG 126 Cb 0.42 -0.31 0.02 0.00 0.00 0.00 0.00 32.46 32.59 1y91 n ARG 126 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1y91 n ASP 127 N 0.46 1.06 -4.75 6.15 2.03 -1.26 -4.97 116.55 115.27 1y91 n ASP 127 Ca 0.00 -2.77 -0.41 0.00 0.52 0.00 0.00 54.79 52.13 1y91 n ASP 127 Cb 0.00 -0.42 -0.03 0.00 -0.72 0.00 0.00 41.12 39.95 1y91 n ASP 127 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1y91 s LEU 128 N -2.97 4.48 -0.09 -2.67 1.43 -1.26 -4.87 118.68 112.73 1y91 s LEU 128 Ca 0.29 2.35 -0.30 0.00 -1.03 0.00 0.00 54.13 55.45 1y91 s LEU 128 Cb 0.43 -3.62 0.12 0.00 0.03 0.00 0.00 46.19 43.14 1y91 s LEU 128 CO 0.01 -0.33 0.96 -1.59 0.23 0.00 0.00 176.35 175.63 1y91 s LYS 129 N -0.99 0.68 0.55 1.70 -2.85 -1.26 -4.81 119.74 112.76 1y91 s LYS 129 Ca 0.49 -0.08 0.33 0.00 -1.00 0.00 0.00 55.97 55.71 1y91 s LYS 129 Cb -0.34 0.32 1.49 0.00 -2.06 0.00 0.00 37.83 37.24 1y91 s LYS 129 CO 0.42 -0.26 1.83 -1.35 0.10 0.00 0.00 175.35 176.09 1y91 h PRO 130 N 2.25 0.00 0.00 1.78 0.11 -1.94 0.05 132.00 134.25 1y91 h PRO 130 Ca -0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.92 1y91 h PRO 130 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1y91 h PRO 130 CO 0.30 0.00 -0.50 0.00 -0.21 0.00 0.00 178.00 177.59 1y91 n GLN 131 N -4.10 0.03 -0.25 1.05 10.64 -1.26 -2.71 117.38 120.78 1y91 n GLN 131 Ca 0.20 0.01 0.03 0.00 -1.83 0.00 0.00 57.00 55.41 1y91 n GLN 131 Cb 1.07 -1.52 0.12 0.00 -0.86 0.00 0.00 30.24 29.06 1y91 n GLN 131 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1y91 n ASN 132 N -1.56 2.19 -4.10 2.61 3.02 0.00 -4.84 115.26 112.59 1y91 n ASN 132 Ca 0.05 -2.22 -0.29 0.00 -0.03 0.00 0.00 54.58 52.10 1y91 n ASN 132 Cb 0.35 -0.45 -0.17 0.00 -0.61 0.00 0.00 39.78 38.90 1y91 n ASN 132 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1y91 s LEU 133 N -0.93 1.83 0.06 3.41 1.43 -1.10 -1.46 118.68 121.93 1y91 s LEU 133 Ca 0.17 -0.45 0.10 0.00 -1.03 0.00 0.00 54.13 52.92 1y91 s LEU 133 Cb 0.12 -1.14 -0.03 0.00 0.03 0.00 0.00 46.19 45.17 1y91 s LEU 133 CO 0.07 0.06 -0.26 -0.76 0.23 0.00 0.00 176.35 175.68 1y91 s LEU 134 N 0.74 2.20 0.26 1.79 1.43 -0.17 -1.91 118.68 123.02 1y91 s LEU 134 Ca -0.11 -0.63 0.11 0.00 -1.03 0.00 0.00 54.13 52.47 1y91 s LEU 134 Cb -0.16 -1.26 -0.05 0.00 0.03 0.00 0.00 46.19 44.75 1y91 s LEU 134 CO 0.02 0.24 -0.12 0.27 0.23 0.00 0.00 176.35 176.99 1y91 s ILE 135 N -0.86 2.91 0.44 -0.59 -4.36 -0.25 -0.86 121.20 117.63 1y91 s ILE 135 Ca 0.12 -2.14 0.02 0.00 -0.26 0.00 0.00 60.65 58.39 1y91 s ILE 135 Cb -0.10 -2.53 -0.01 0.00 1.25 0.00 0.00 42.46 41.07 1y91 s ILE 135 CO 0.03 -0.36 0.07 -0.46 0.24 0.00 0.00 174.94 174.46 1y91 n ASN 136 N -0.64 2.33 0.08 4.36 0.23 -1.09 -3.71 115.26 116.82 1y91 n ASN 136 Ca -0.06 -3.11 0.11 0.00 -0.53 0.00 0.00 54.58 50.99 1y91 n ASN 136 Cb 0.59 0.65 0.45 0.00 -2.08 0.00 0.00 39.78 39.39 1y91 n ASN 136 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1y91 n THR 137 N -1.05 0.71 -0.19 5.53 -2.24 -1.26 -3.35 114.28 112.42 1y91 n THR 137 Ca -0.13 0.08 0.06 0.00 -2.27 0.00 0.00 64.05 61.79 1y91 n THR 137 Cb 0.60 -0.91 0.28 0.00 -2.10 0.00 0.00 70.33 68.20 1y91 n THR 137 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1y91 n GLU 138 N -2.01 3.37 -0.37 -0.78 0.28 -1.26 -4.60 120.64 115.27 1y91 n GLU 138 Ca 0.04 -2.23 0.00 0.00 -0.16 0.00 0.00 57.16 54.81 1y91 n GLU 138 Cb 0.28 -1.86 0.00 0.00 1.43 0.00 0.00 31.44 31.29 1y91 n GLU 138 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1y91 n GLY 139 N 0.77 0.81 3.88 -1.84 0.00 -1.21 -4.90 105.19 102.70 1y91 n GLY 139 Ca 0.20 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1y91 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y91 s ALA 140 N -2.00 3.74 0.02 4.61 0.00 -1.26 -4.90 121.76 121.97 1y91 s ALA 140 Ca 0.00 -0.45 0.03 0.00 0.00 0.00 0.00 51.96 51.54 1y91 s ALA 140 Cb 0.00 -2.23 -0.02 0.00 0.00 0.00 0.00 23.12 20.88 1y91 s ALA 140 CO 0.00 0.60 -0.09 -1.50 0.00 0.00 0.00 175.76 174.77 1y91 s ILE 141 N -1.56 0.70 0.01 0.00 2.07 -1.26 -2.65 121.20 118.51 1y91 s ILE 141 Ca 0.38 -0.71 0.01 0.00 -1.41 0.00 0.00 60.65 58.92 1y91 s ILE 141 Cb -0.13 -0.65 -0.01 0.00 0.13 0.00 0.00 42.46 41.80 1y91 s ILE 141 CO 0.21 -0.04 -0.03 -0.54 -1.91 0.00 0.00 174.94 172.63 1y91 s LYS 142 N -0.83 0.26 0.08 3.50 1.02 -0.04 -4.65 119.74 119.08 1y91 s LYS 142 Ca -0.01 -0.27 -0.28 0.00 0.02 0.00 0.00 55.97 55.43 1y91 s LYS 142 Cb -0.06 -0.15 -0.06 0.00 -0.52 0.00 0.00 37.83 37.04 1y91 s LYS 142 CO 0.00 0.03 0.87 -0.51 -0.92 0.00 0.00 175.35 174.83 1y91 s LEU 143 N -0.51 4.48 0.08 3.17 1.43 0.40 -1.00 118.68 126.74 1y91 s LEU 143 Ca -0.03 1.64 0.08 0.00 -1.03 0.00 0.00 54.13 54.78 1y91 s LEU 143 Cb -0.04 -3.42 -0.03 0.00 0.03 0.00 0.00 46.19 42.73 1y91 s LEU 143 CO -0.00 -0.02 -0.20 0.00 0.23 0.00 0.00 176.35 176.36 1y91 s ALA 144 N -0.07 1.73 -0.74 4.21 0.00 -0.54 -0.99 121.76 125.36 1y91 s ALA 144 Ca 0.43 -1.16 -0.01 0.00 0.00 0.00 0.00 51.96 51.22 1y91 s ALA 144 Cb -0.22 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.62 1y91 s ALA 144 CO 0.27 0.36 0.69 -3.47 0.00 0.00 0.00 175.76 173.60 1y91 n ASP 145 N 1.36 -7.15 -3.84 0.00 2.03 -1.26 -4.82 116.55 102.87 1y91 n ASP 145 Ca -0.19 -0.18 -0.30 0.00 0.52 0.00 0.00 54.79 54.64 1y91 n ASP 145 Cb 0.54 -4.96 -0.15 0.00 -0.72 0.00 0.00 41.12 35.82 1y91 n ASP 145 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1y91 s PHE 146 N -3.07 2.49 0.00 -0.67 2.19 -1.26 -4.27 117.98 113.39 1y91 s PHE 146 Ca 0.08 -2.23 0.00 0.00 0.33 0.00 0.00 56.93 55.11 1y91 s PHE 146 Cb -0.01 -2.18 0.00 0.00 -1.31 0.00 0.00 43.02 39.52 1y91 s PHE 146 CO 0.69 -0.90 0.00 0.41 1.83 0.00 0.00 175.22 177.25 1y91 n GLY 147 N 4.59 0.74 0.00 13.12 0.00 -1.26 -4.82 105.19 117.57 1y91 n GLY 147 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1y91 n GLY 147 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1y91 n LEU 148 N 0.00 0.00 0.11 0.99 7.99 -1.26 -3.44 117.00 121.39 1y91 n LEU 148 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 56.01 55.95 1y91 n LEU 148 Cb 0.00 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.29 1y91 n LEU 148 CO 0.00 0.00 0.32 0.00 -1.51 0.00 0.00 177.39 176.20 1y91 h ALA 149 N 2.41 -0.71 -0.32 -1.18 0.00 -1.87 -3.26 119.26 114.32 1y91 h ALA 149 Ca 0.00 -0.07 -0.21 0.00 0.00 0.00 0.00 54.91 54.63 1y91 h ALA 149 Cb 0.00 0.12 -0.09 0.00 0.00 0.00 0.00 17.79 17.82 1y91 h ALA 149 CO 0.00 -0.69 0.28 0.54 0.00 0.00 0.00 179.25 179.38 1y91 n ARG 150 N -3.19 1.53 0.00 0.00 3.00 -1.22 -4.42 116.66 112.36 1y91 n ARG 150 Ca -0.04 -1.05 0.00 0.00 -0.01 0.00 0.00 57.85 56.76 1y91 n ARG 150 Cb 0.12 -1.41 0.00 0.00 0.00 0.00 0.00 32.46 31.17 1y91 n ARG 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1y91 n ALA 151 N 0.69 0.00 -2.00 7.54 0.00 -1.23 -4.87 120.51 120.64 1y91 n ALA 151 Ca 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1y91 n ALA 151 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1y91 n ALA 151 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1y91 n PHE 152 N -1.16 0.00 0.00 0.00 -0.00 -1.26 -4.28 117.46 110.75 1y91 n PHE 152 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1y91 n PHE 152 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.48 1y91 n PHE 152 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1y91 n GLY 153 N 0.00 -1.09 0.00 4.97 0.00 -1.26 -5.11 105.19 102.69 1y91 n GLY 153 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1y91 n GLY 153 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1y91 n TYR 159 N 0.00 0.00 -0.01 1.61 0.53 -0.78 -4.97 117.16 113.53 1y91 n TYR 159 Ca 0.00 0.00 0.08 0.00 -1.02 0.00 0.00 57.90 56.96 1y91 n TYR 159 Cb 0.00 0.00 -0.14 0.00 -1.03 0.00 0.00 39.34 38.17 1y91 n TYR 159 CO 0.00 0.00 0.00 -2.37 -1.02 0.00 0.00 176.86 173.47 1y91 n THR 160 N -0.19 0.05 0.00 -0.72 5.66 -1.26 -4.96 114.28 112.86 1y91 n THR 160 Ca 0.00 -0.42 0.00 0.00 -3.05 0.00 0.00 64.05 60.58 1y91 n THR 160 Cb 0.07 0.07 0.00 0.00 -1.55 0.00 0.00 70.33 68.92 1y91 n THR 160 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1y91 n HIS 161 N -2.14 0.00 -1.53 1.09 1.44 -1.26 -4.90 115.22 107.92 1y91 n HIS 161 Ca -0.04 0.00 -0.59 0.00 -2.01 0.00 0.00 57.72 55.08 1y91 n HIS 161 Cb 0.49 -0.61 -0.08 0.00 0.12 0.00 0.00 29.99 29.90 1y91 n HIS 161 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62 1y91 n GLU 162 N -1.77 0.10 -1.82 -1.40 2.13 -1.26 -4.77 120.64 111.85 1y91 n GLU 162 Ca 0.00 0.04 -0.41 0.00 0.66 0.00 0.00 57.16 57.44 1y91 n GLU 162 Cb 0.00 -1.55 -0.01 0.00 0.27 0.00 0.00 31.44 30.15 1y91 n GLU 162 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1y91 s VAL 163 N 0.29 2.11 0.40 6.31 -7.23 -1.26 -4.96 120.40 116.06 1y91 s VAL 163 Ca 0.92 0.11 -0.23 0.00 -1.81 0.00 0.00 61.98 60.96 1y91 s VAL 163 Cb -1.26 -3.07 -0.10 0.00 0.56 0.00 0.00 36.38 32.51 1y91 s VAL 163 CO 0.58 0.02 0.98 -0.69 -0.31 0.00 0.00 175.10 175.68 1y91 s VAL 164 N -0.60 4.13 0.38 1.32 1.01 -1.26 -5.05 120.40 120.33 1y91 s VAL 164 Ca 0.57 1.52 -0.21 0.00 0.00 0.00 0.00 61.98 63.86 1y91 s VAL 164 Cb -0.47 -3.73 -0.10 0.00 0.00 0.00 0.00 36.38 32.09 1y91 s VAL 164 CO 0.55 -0.10 0.90 0.42 0.00 0.00 0.00 175.10 176.87 1y91 s THR 165 N -1.88 4.42 -0.96 3.92 -4.23 -1.26 -4.94 115.64 110.71 1y91 s THR 165 Ca 0.58 1.44 0.15 0.00 -1.18 0.00 0.00 61.69 62.69 1y91 s THR 165 Cb -0.15 -3.69 -0.12 0.00 1.34 0.00 0.00 72.50 69.88 1y91 s THR 165 CO 0.20 -0.19 0.71 0.18 -0.54 0.00 0.00 174.62 174.99 1y91 n LEU 166 N -0.31 1.00 0.30 4.79 4.77 -1.26 -4.67 117.00 121.63 1y91 n LEU 166 Ca 0.05 -0.58 0.16 0.00 -0.03 0.00 0.00 56.01 55.61 1y91 n LEU 166 Cb 0.53 0.00 0.95 0.00 -2.33 0.00 0.00 43.42 42.57 1y91 n LEU 166 CO 0.39 0.22 1.12 -0.50 -1.33 0.00 0.00 177.39 177.29 1y91 h TRP 167 N 0.56 0.00 -0.12 -1.77 4.06 -1.82 0.13 115.95 117.00 1y91 h TRP 167 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1y91 h TRP 167 Cb 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.58 1y91 h TRP 167 CO 0.00 0.02 0.00 0.66 -3.56 0.00 0.00 178.44 175.56 1y91 n TYR 168 N -3.68 0.14 -2.03 0.49 4.01 -1.26 -4.44 117.16 110.38 1y91 n TYR 168 Ca -0.03 -0.14 -0.42 0.00 -0.16 0.00 0.00 57.90 57.16 1y91 n TYR 168 Cb 0.10 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.10 1y91 n TYR 168 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1y91 s ARG 169 N -1.02 4.25 0.43 -0.72 0.52 0.47 -4.06 118.95 118.81 1y91 s ARG 169 Ca 0.18 2.22 -0.26 0.00 -0.52 0.00 0.00 55.73 57.35 1y91 s ARG 169 Cb 0.11 -3.37 -0.09 0.00 0.52 0.00 0.00 34.95 32.13 1y91 s ARG 169 CO 0.16 -0.59 1.38 0.00 0.02 0.00 0.00 175.30 176.27 1y91 s ALA 170 N 1.74 3.26 0.38 2.13 0.00 -1.26 -4.90 121.76 123.11 1y91 s ALA 170 Ca 0.69 1.39 0.06 0.00 0.00 0.00 0.00 51.96 54.09 1y91 s ALA 170 Cb -0.39 -3.55 0.77 0.00 0.00 0.00 0.00 23.12 19.95 1y91 s ALA 170 CO 0.31 -1.05 2.01 -1.00 0.00 0.00 0.00 175.76 176.02 1y91 h PRO 171 N 2.48 0.68 -0.76 0.00 0.13 -1.94 -1.03 132.00 131.55 1y91 h PRO 171 Ca -0.50 -0.04 0.01 0.00 -0.87 0.00 0.00 66.00 64.59 1y91 h PRO 171 Cb 1.26 -0.15 -0.04 0.00 0.13 0.00 0.00 31.00 32.20 1y91 h PRO 171 CO 0.62 0.45 0.50 1.05 -0.23 0.00 0.00 178.00 180.38 1y91 h GLU 172 N 0.70 1.01 -0.45 0.86 9.09 -1.92 -0.25 114.58 123.62 1y91 h GLU 172 Ca 0.24 -0.07 -0.03 0.00 0.05 0.00 0.00 59.36 59.55 1y91 h GLU 172 Cb 0.09 -0.23 -0.02 0.00 -1.65 0.00 0.00 28.75 26.94 1y91 h GLU 172 CO -0.06 0.68 0.16 0.82 0.05 0.00 0.00 179.01 180.66 1y91 h ILE 173 N 1.04 1.21 -0.05 -1.06 2.04 -1.47 -0.10 117.51 119.12 1y91 h ILE 173 Ca 0.28 -0.67 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 1y91 h ILE 173 Cb -0.11 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 1y91 h ILE 173 CO -0.06 0.24 -0.10 -0.07 0.00 0.00 0.00 178.15 178.17 1y91 h LEU 174 N 0.58 0.07 -0.85 1.44 3.38 -0.99 -1.91 115.31 117.04 1y91 h LEU 174 Ca 0.15 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1y91 h LEU 174 Cb 0.22 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1y91 h LEU 174 CO -0.01 0.18 0.00 0.18 0.09 0.00 0.00 178.44 178.89 1y91 n LEU 175 N -4.38 1.28 0.00 1.67 4.77 -0.17 -4.86 117.00 115.32 1y91 n LEU 175 Ca -0.02 -0.53 0.00 0.00 -0.03 0.00 0.00 56.01 55.43 1y91 n LEU 175 Cb 0.20 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1y91 n LEU 175 CO 0.36 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 1y91 n GLY 176 N 1.06 1.53 3.70 -0.72 0.00 -0.72 -0.66 105.19 109.38 1y91 n GLY 176 Ca 0.16 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 1y91 n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y91 h LYS 178 N 7.11 0.38 -1.88 0.00 3.64 -1.95 -3.40 116.57 120.47 1y91 h LYS 178 Ca -0.37 -0.62 -0.63 0.00 -1.27 0.00 0.00 60.65 57.77 1y91 h LYS 178 Cb 1.18 0.23 -0.39 0.00 -0.41 0.00 0.00 32.23 32.84 1y91 h LYS 178 CO 0.83 1.29 -0.37 0.66 -2.27 0.00 0.00 179.45 179.59 1y91 n TYR 179 N -3.61 3.54 -2.05 1.91 4.01 -1.26 -5.06 117.16 114.63 1y91 n TYR 179 Ca -0.11 -3.28 -0.29 0.00 -0.16 0.00 0.00 57.90 54.06 1y91 n TYR 179 Cb 1.04 -0.42 0.05 0.00 -0.31 0.00 0.00 39.34 39.70 1y91 n TYR 179 CO 0.00 0.00 0.00 1.52 -0.46 0.00 0.00 176.86 177.92 1y91 s TYR 180 N -3.64 3.26 0.53 -0.72 -0.85 -1.26 -5.05 117.35 109.63 1y91 s TYR 180 Ca 0.48 0.88 0.09 0.00 -0.52 0.00 0.00 57.07 58.00 1y91 s TYR 180 Cb 0.35 -3.01 0.06 0.00 0.38 0.00 0.00 41.96 39.74 1y91 s TYR 180 CO -0.19 -1.13 0.66 -1.54 -1.52 0.00 0.00 175.55 171.83 1y91 s SER 181 N -4.37 5.10 0.63 -0.18 1.04 -1.26 -4.96 113.70 109.71 1y91 s SER 181 Ca 0.57 -0.84 0.14 0.00 0.48 0.00 0.00 55.95 56.30 1y91 s SER 181 Cb -0.11 0.11 0.49 0.00 0.10 0.00 0.00 66.02 66.61 1y91 s SER 181 CO 0.49 -1.16 1.16 0.35 0.98 0.00 0.00 173.24 175.06 1y91 n THR 182 N -2.05 0.00 0.24 2.02 -2.24 -1.26 -1.79 114.28 109.20 1y91 n THR 182 Ca 0.11 1.14 0.11 0.00 -2.27 0.00 0.00 64.05 63.14 1y91 n THR 182 Cb 0.62 -2.14 0.55 0.00 -2.10 0.00 0.00 70.33 67.25 1y91 n THR 182 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1y91 h ALA 183 N 0.28 1.07 -0.46 6.98 0.00 -1.93 -2.41 119.26 122.80 1y91 h ALA 183 Ca 0.27 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1y91 h ALA 183 Cb 2.51 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 20.25 1y91 h ALA 183 CO -0.00 0.22 0.30 -0.39 0.00 0.00 0.00 179.25 179.38 1y91 h VAL 184 N 0.00 1.07 -0.47 0.00 -1.51 -1.74 -2.12 116.25 111.47 1y91 h VAL 184 Ca -0.00 -0.19 -0.12 0.00 -1.23 0.00 0.00 66.70 65.16 1y91 h VAL 184 Cb 0.63 0.48 -0.01 0.00 -2.13 0.00 0.00 31.29 30.25 1y91 h VAL 184 CO 0.02 0.10 -0.19 0.44 -1.23 0.00 0.00 177.57 176.72 1y91 h ASP 185 N 0.55 0.99 -0.84 4.19 3.32 -1.65 -2.29 116.42 120.68 1y91 h ASP 185 Ca 0.18 -0.39 0.04 0.00 0.02 0.00 0.00 57.03 56.88 1y91 h ASP 185 Cb 0.04 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.27 1y91 h ASP 185 CO -0.04 1.15 0.54 0.40 -1.72 0.00 0.00 179.24 179.57 1y91 h ILE 186 N 0.81 1.12 -0.20 0.35 1.08 -1.61 0.50 117.51 119.56 1y91 h ILE 186 Ca 0.11 -0.36 -0.00 0.00 -0.39 0.00 0.00 64.86 64.22 1y91 h ILE 186 Cb 0.76 -0.01 -0.01 0.00 -3.07 0.00 0.00 36.82 34.49 1y91 h ILE 186 CO 0.06 0.19 0.11 -0.25 -0.69 0.00 0.00 178.15 177.57 1y91 h TRP 187 N 1.04 0.27 0.19 1.37 2.91 -1.26 -0.12 115.95 120.34 1y91 h TRP 187 Ca 0.34 -0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.35 1y91 h TRP 187 Cb 0.03 -0.09 -0.00 0.00 -0.51 0.00 0.00 29.16 28.59 1y91 h TRP 187 CO -0.02 0.24 -0.12 0.77 -1.03 0.00 0.00 178.44 178.28 1y91 h SER 188 N 0.22 -0.29 -0.69 2.65 0.02 -0.97 -1.73 113.55 112.75 1y91 h SER 188 Ca 0.07 0.02 0.09 0.00 -0.84 0.00 0.00 61.79 61.13 1y91 h SER 188 Cb 0.06 0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.64 1y91 h SER 188 CO -0.01 -0.19 0.46 0.25 -1.14 0.00 0.00 176.83 176.20 1y91 h LEU 189 N -0.30 0.54 -1.07 5.07 5.85 0.20 -1.03 115.31 124.57 1y91 h LEU 189 Ca -0.02 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.62 1y91 h LEU 189 Cb 0.25 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 1y91 h LEU 189 CO 0.02 0.33 -0.42 1.23 -0.34 0.00 0.00 178.44 179.26 1y91 h GLY 190 N 0.60 0.10 1.03 3.75 0.00 -0.35 0.23 103.07 108.43 1y91 h GLY 190 Ca 0.32 -0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.53 1y91 h GLY 190 CO -0.11 0.08 0.44 0.00 0.00 0.00 0.00 176.54 176.96 1y91 h ILE 192 N 1.21 1.32 0.07 0.00 2.04 -0.32 -1.76 117.51 120.07 1y91 h ILE 192 Ca 0.30 -2.06 0.01 0.00 1.00 0.00 0.00 64.86 64.10 1y91 h ILE 192 Cb 0.07 2.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 1y91 h ILE 192 CO -0.04 0.64 -0.08 0.15 0.00 0.00 0.00 178.15 178.81 1y91 h PHE 193 N 0.42 -0.21 -0.38 1.37 3.57 -0.29 0.75 116.94 122.17 1y91 h PHE 193 Ca -0.05 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 1y91 h PHE 193 Cb 1.38 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 40.19 1y91 h PHE 193 CO 0.07 -0.13 0.21 0.00 -2.23 0.00 0.00 178.31 176.23 1y91 h ALA 194 N 0.74 0.48 -0.78 2.41 0.00 -1.29 -2.21 119.26 118.62 1y91 h ALA 194 Ca 0.01 -0.08 0.14 0.00 0.00 0.00 0.00 54.91 54.98 1y91 h ALA 194 Cb 0.18 -0.15 -0.09 0.00 0.00 0.00 0.00 17.79 17.72 1y91 h ALA 194 CO -0.03 0.01 0.35 1.49 0.00 0.00 0.00 179.25 181.06 1y91 h GLU 195 N 0.48 0.49 -0.81 0.00 4.81 -1.15 0.24 114.58 118.64 1y91 h GLU 195 Ca 0.13 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.31 1y91 h GLU 195 Cb 0.06 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.29 1y91 h GLU 195 CO -0.02 0.33 0.40 0.52 -0.73 0.00 0.00 179.01 179.50 1y91 h MET 196 N 0.51 1.16 -0.01 1.92 2.86 -0.52 0.16 114.93 121.01 1y91 h MET 196 Ca 0.43 -0.16 -0.12 0.00 -2.06 0.00 0.00 59.70 57.79 1y91 h MET 196 Cb 0.62 -0.21 0.01 0.00 0.06 0.00 0.00 31.60 32.08 1y91 h MET 196 CO -0.38 0.89 -0.45 0.28 1.06 0.00 0.00 176.91 178.30 1y91 h VAL 197 N 1.15 1.47 0.00 -2.22 2.07 -0.95 -3.36 116.25 114.41 1y91 h VAL 197 Ca 0.28 -1.99 -0.06 0.00 0.82 0.00 0.00 66.70 65.75 1y91 h VAL 197 Cb 0.10 2.62 -0.01 0.00 -1.52 0.00 0.00 31.29 32.49 1y91 h VAL 197 CO -0.04 0.57 -0.32 0.71 0.02 0.00 0.00 177.57 178.51 1y91 h THR 198 N -0.24 0.45 -0.39 2.57 1.35 -0.99 -3.46 112.91 112.21 1y91 h THR 198 Ca -0.05 -1.64 -0.17 0.00 -0.55 0.00 0.00 66.41 64.00 1y91 h THR 198 Cb 1.17 2.20 -0.07 0.00 -1.73 0.00 0.00 68.15 69.73 1y91 h THR 198 CO 0.09 0.26 -0.15 0.54 -0.25 0.00 0.00 175.52 176.00 1y91 n ARG 199 N -3.15 -1.21 -3.93 4.72 1.74 0.04 -5.00 116.66 109.88 1y91 n ARG 199 Ca 0.03 0.72 -0.10 0.00 -0.77 0.00 0.00 57.85 57.72 1y91 n ARG 199 Cb 0.64 -4.82 -0.12 0.00 -1.02 0.00 0.00 32.46 27.14 1y91 n ARG 199 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1y91 s ARG 200 N -2.43 0.22 0.34 5.56 0.52 -1.25 -5.08 118.95 116.83 1y91 s ARG 200 Ca 0.00 -0.35 -0.28 0.00 -0.52 0.00 0.00 55.73 54.58 1y91 s ARG 200 Cb 0.00 0.08 -0.12 0.00 0.52 0.00 0.00 34.95 35.43 1y91 s ARG 200 CO 0.00 -0.04 1.35 0.00 0.02 0.00 0.00 175.30 176.63 1y91 n ALA 201 N 2.13 1.55 -0.03 2.13 0.00 -1.26 -4.17 120.51 120.87 1y91 n ALA 201 Ca -0.19 0.36 -0.13 0.00 0.00 0.00 0.00 53.44 53.47 1y91 n ALA 201 Cb 0.57 -2.30 -0.10 0.00 0.00 0.00 0.00 19.45 17.62 1y91 n ALA 201 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1y91 h LEU 202 N 2.79 0.04 -6.16 0.00 5.85 -1.91 -3.41 115.31 112.53 1y91 h LEU 202 Ca -0.47 -0.57 -0.58 0.00 0.84 0.00 0.00 57.88 57.10 1y91 h LEU 202 Cb 1.27 -0.01 -0.40 0.00 0.37 0.00 0.00 40.66 41.89 1y91 h LEU 202 CO 0.64 0.61 -0.89 0.49 -0.34 0.00 0.00 178.44 178.95 1y91 n PHE 203 N -4.78 1.22 -2.01 1.25 3.72 -1.26 -4.99 117.46 110.61 1y91 n PHE 203 Ca -0.09 -3.79 -0.42 0.00 -0.05 0.00 0.00 57.45 53.10 1y91 n PHE 203 Cb 0.30 -0.39 -0.00 0.00 -0.94 0.00 0.00 39.48 38.45 1y91 n PHE 203 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1y91 n PRO 204 N 1.35 3.56 -2.14 -1.08 -0.04 -1.26 -4.38 135.00 131.01 1y91 n PRO 204 Ca 0.25 -3.12 -0.32 0.00 -0.04 0.00 0.00 63.50 60.27 1y91 n PRO 204 Cb 0.47 -2.97 -0.01 0.00 -0.04 0.00 0.00 33.50 30.96 1y91 n PRO 204 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1y91 s GLY 205 N 1.57 2.00 -0.11 0.55 0.00 -1.26 -4.98 107.32 105.08 1y91 s GLY 205 Ca 0.47 0.21 0.14 0.00 0.00 0.00 0.00 44.72 45.54 1y91 s GLY 205 CO -0.04 0.50 1.13 2.09 0.00 0.00 0.00 173.10 176.78 1y91 n ASP 206 N -2.01 1.69 -3.64 1.64 5.68 -1.26 -4.60 116.55 114.05 1y91 n ASP 206 Ca 0.07 -2.96 0.00 0.00 -0.50 0.00 0.00 54.79 51.41 1y91 n ASP 206 Cb 0.54 -0.40 -0.01 0.00 -1.14 0.00 0.00 41.12 40.11 1y91 n ASP 206 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1y91 s SER 207 N -2.52 -0.09 0.14 -1.12 1.04 -1.26 -5.00 113.70 104.89 1y91 s SER 207 Ca 0.27 -0.18 -0.15 0.00 0.48 0.00 0.00 55.95 56.37 1y91 s SER 207 Cb 0.25 0.22 0.01 0.00 0.10 0.00 0.00 66.02 66.60 1y91 s SER 207 CO -0.01 -0.41 1.68 -0.33 0.98 0.00 0.00 173.24 175.15 1y91 h GLU 208 N 2.00 0.66 -0.25 4.02 5.08 -1.98 -0.61 114.58 123.50 1y91 h GLU 208 Ca -0.28 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 57.86 1y91 h GLU 208 Cb 1.21 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1y91 h GLU 208 CO 0.28 0.62 -0.19 0.97 -1.00 0.00 0.00 179.01 179.69 1y91 h ILE 209 N 0.56 1.31 -0.78 3.13 6.09 -1.97 -0.38 117.51 125.47 1y91 h ILE 209 Ca 0.14 -1.32 0.04 0.00 -1.37 0.00 0.00 64.86 62.36 1y91 h ILE 209 Cb 0.22 1.62 -0.05 0.00 0.47 0.00 0.00 36.82 39.09 1y91 h ILE 209 CO -0.01 0.41 0.51 -0.78 -3.07 0.00 0.00 178.15 175.22 1y91 h ASP 210 N 0.27 0.80 -0.13 2.19 3.58 -1.94 0.15 116.42 121.34 1y91 h ASP 210 Ca 0.05 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.47 1y91 h ASP 210 Cb 0.72 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.59 1y91 h ASP 210 CO 0.05 0.54 0.00 -0.61 -2.88 0.00 0.00 179.24 176.34 1y91 h GLN 211 N 0.92 0.23 -0.42 0.28 5.75 -0.93 -0.38 115.11 120.56 1y91 h GLN 211 Ca 0.32 -0.07 0.08 0.00 -0.15 0.00 0.00 58.65 58.83 1y91 h GLN 211 Cb 0.11 -0.02 -0.07 0.00 1.07 0.00 0.00 27.48 28.56 1y91 h GLN 211 CO -0.10 0.46 -0.02 -0.07 -2.65 0.00 0.00 178.83 176.45 1y91 h LEU 212 N -0.03 -0.22 -0.41 -2.39 -0.00 -0.66 -2.32 115.31 109.28 1y91 h LEU 212 Ca 0.04 0.10 -0.11 0.00 -0.00 0.00 0.00 57.88 57.91 1y91 h LEU 212 Cb 0.36 0.19 -0.02 0.00 -0.00 0.00 0.00 40.66 41.19 1y91 h LEU 212 CO 0.01 -0.07 -0.52 -0.26 -0.00 0.00 0.00 178.44 177.60 1y91 h PHE 213 N 0.08 0.00 -0.38 1.13 0.04 -0.60 -1.11 116.94 116.11 1y91 h PHE 213 Ca 0.21 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.84 1y91 h PHE 213 Cb 0.31 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.45 1y91 h PHE 213 CO -0.30 0.52 -0.29 0.00 -0.60 0.00 0.00 178.31 177.64 1y91 h ARG 214 N 0.00 0.87 -0.50 1.51 3.08 -0.90 -1.40 114.38 117.05 1y91 h ARG 214 Ca -0.01 -0.43 0.04 0.00 0.07 0.00 0.00 59.98 59.65 1y91 h ARG 214 Cb 1.23 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.24 1y91 h ARG 214 CO 0.07 1.07 0.27 0.82 -1.07 0.00 0.00 179.97 181.13 1y91 h ILE 215 N 0.67 0.99 -0.73 2.04 2.04 -1.11 -2.73 117.51 118.68 1y91 h ILE 215 Ca 0.07 -0.18 0.02 0.00 1.00 0.00 0.00 64.86 65.78 1y91 h ILE 215 Cb 0.87 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 1y91 h ILE 215 CO 0.08 0.10 0.49 -0.26 0.00 0.00 0.00 178.15 178.55 1y91 h PHE 216 N 0.52 0.89 0.00 1.37 0.04 -1.01 0.92 116.94 119.67 1y91 h PHE 216 Ca 0.21 0.02 -0.07 0.00 2.80 0.00 0.00 57.97 60.93 1y91 h PHE 216 Cb 0.10 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 37.94 1y91 h PHE 216 CO -0.09 0.53 -0.36 0.00 -0.60 0.00 0.00 178.31 177.80 1y91 h ARG 217 N 0.93 0.00 0.05 1.51 3.08 -0.94 -0.88 114.38 118.13 1y91 h ARG 217 Ca 0.28 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 60.00 1y91 h ARG 217 Cb -0.01 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 1y91 h ARG 217 CO -0.07 0.36 -1.89 2.41 -1.07 0.00 0.00 179.97 179.71 1y91 n THR 218 N -3.44 1.63 1.09 2.04 -1.04 -1.07 -4.62 114.28 108.87 1y91 n THR 218 Ca 0.00 -0.40 0.12 0.00 -2.04 0.00 0.00 64.05 61.73 1y91 n THR 218 Cb 0.53 -1.81 0.14 0.00 -1.82 0.00 0.00 70.33 67.36 1y91 n THR 218 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1y91 n LEU 219 N -3.86 1.73 0.00 -4.42 4.77 0.30 -2.40 117.00 113.11 1y91 n LEU 219 Ca -0.37 -0.60 0.00 0.00 -0.03 0.00 0.00 56.01 55.02 1y91 n LEU 219 Cb 0.90 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.95 1y91 n LEU 219 CO 0.28 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 1y91 n GLY 220 N 1.39 -0.17 3.72 -0.72 0.00 -0.34 -4.52 105.19 104.54 1y91 n GLY 220 Ca 0.11 -1.43 -0.42 0.00 0.00 0.00 0.00 46.02 44.27 1y91 n GLY 220 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1y91 s THR 221 N -1.89 2.40 0.41 2.61 2.01 -0.65 -4.53 115.64 116.01 1y91 s THR 221 Ca 0.00 0.27 -0.25 0.00 0.31 0.00 0.00 61.69 62.02 1y91 s THR 221 Cb 0.00 -3.18 -0.08 0.00 0.01 0.00 0.00 72.50 69.25 1y91 s THR 221 CO 0.00 0.02 1.24 -2.16 -0.69 0.00 0.00 174.62 173.03 1y91 s PRO 222 N 1.23 3.95 0.00 4.92 0.04 -1.26 -4.89 135.00 138.99 1y91 s PRO 222 Ca 0.72 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.77 1y91 s PRO 222 Cb -0.46 -2.68 0.00 0.00 0.04 0.00 0.00 34.50 31.40 1y91 s PRO 222 CO 0.32 -0.46 0.00 -0.40 0.04 0.00 0.00 177.00 176.50 1y91 n ASP 223 N 0.02 1.10 0.23 6.66 5.68 -1.26 -4.99 116.55 123.98 1y91 n ASP 223 Ca 0.04 -0.79 0.11 0.00 -0.50 0.00 0.00 54.79 53.66 1y91 n ASP 223 Cb 0.45 0.00 0.43 0.00 -1.14 0.00 0.00 41.12 40.86 1y91 n ASP 223 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1y91 h GLU 224 N 0.00 0.00 0.37 0.11 4.39 -1.97 -0.03 114.58 117.45 1y91 h GLU 224 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1y91 h GLU 224 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1y91 h GLU 224 CO 0.00 0.18 -0.18 -0.39 -1.16 0.00 0.00 179.01 177.46 1y91 h VAL 225 N 0.00 0.60 0.00 3.13 -1.51 -2.00 -2.80 116.25 113.67 1y91 h VAL 225 Ca -0.00 -0.49 -0.08 0.00 -1.23 0.00 0.00 66.70 64.90 1y91 h VAL 225 Cb 0.79 0.83 -0.01 0.00 -2.13 0.00 0.00 31.29 30.77 1y91 h VAL 225 CO 0.02 0.09 -0.39 -0.37 -1.23 0.00 0.00 177.57 175.69 1y91 h VAL 226 N -0.79 0.78 -1.97 7.19 -1.51 -1.97 -3.42 116.25 114.55 1y91 h VAL 226 Ca -0.05 -1.75 -0.46 0.00 -1.23 0.00 0.00 66.70 63.21 1y91 h VAL 226 Cb 0.52 2.13 -0.32 0.00 -2.13 0.00 0.00 31.29 31.50 1y91 h VAL 226 CO 0.08 0.39 -0.83 0.86 -1.23 0.00 0.00 177.57 176.84 1y91 s TRP 227 N -3.30 0.27 -0.44 5.19 -0.11 -0.03 -4.50 118.94 116.03 1y91 s TRP 227 Ca 0.02 -1.76 -0.42 0.00 1.22 0.00 0.00 56.10 55.16 1y91 s TRP 227 Cb 0.09 -0.55 -0.17 0.00 -1.50 0.00 0.00 33.47 31.34 1y91 s TRP 227 CO 0.70 -0.96 1.95 -2.30 -4.62 0.00 0.00 176.95 171.73 1y91 n PRO 228 N 2.97 0.39 0.00 5.86 -0.01 -1.06 -0.48 135.00 142.67 1y91 n PRO 228 Ca 0.25 0.12 0.00 0.00 -0.01 0.00 0.00 63.50 63.87 1y91 n PRO 228 Cb 0.50 -1.78 0.00 0.00 -0.01 0.00 0.00 33.50 32.21 1y91 n PRO 228 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1y91 n GLY 229 N 5.94 1.00 0.41 -1.23 0.00 -1.26 -4.99 105.19 105.06 1y91 n GLY 229 Ca 0.42 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.36 1y91 n GLY 229 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1y91 h VAL 230 N 0.00 0.02 0.00 1.61 3.04 -1.06 -1.91 116.25 117.95 1y91 h VAL 230 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1y91 h VAL 230 Cb 0.00 0.02 0.00 0.00 -2.01 0.00 0.00 31.29 29.30 1y91 h VAL 230 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.57 177.27 1y91 h THR 231 N -0.07 0.00 -0.30 3.17 1.35 -1.91 -1.36 112.91 113.78 1y91 h THR 231 Ca 0.21 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.88 1y91 h THR 231 Cb 0.50 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 1y91 h THR 231 CO -0.88 0.00 0.00 -1.20 -0.25 0.00 0.00 175.52 173.19 1y91 n SER 232 N -2.68 1.86 -4.79 5.36 7.64 -0.72 -4.87 113.62 115.43 1y91 n SER 232 Ca -0.00 -2.06 -0.38 0.00 1.01 0.00 0.00 58.87 57.44 1y91 n SER 232 Cb 0.16 -0.26 -0.06 0.00 -1.01 0.00 0.00 64.21 63.04 1y91 n SER 232 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1y91 s MET 233 N -1.60 4.46 0.27 1.43 -1.94 -0.52 -4.94 119.30 116.46 1y91 s MET 233 Ca 0.21 1.07 0.09 0.00 -1.71 0.00 0.00 55.69 55.35 1y91 s MET 233 Cb 0.12 -3.10 0.84 0.00 2.01 0.00 0.00 34.83 34.71 1y91 s MET 233 CO 0.13 0.49 1.25 -2.30 -0.01 0.00 0.00 175.02 174.59 1y91 n PRO 234 N 1.22 -0.06 -0.11 2.03 -0.02 -1.20 -0.88 135.00 135.98 1y91 n PRO 234 Ca -0.04 1.15 0.05 0.00 -2.02 0.00 0.00 63.50 62.64 1y91 n PRO 234 Cb 0.50 -1.94 0.10 0.00 -0.02 0.00 0.00 33.50 32.14 1y91 n PRO 234 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1y91 n ASP 235 N -4.97 2.52 -4.77 2.55 8.00 0.17 -4.97 116.55 115.07 1y91 n ASP 235 Ca 0.25 -2.46 -0.38 0.00 0.71 0.00 0.00 54.79 52.91 1y91 n ASP 235 Cb 0.82 -0.24 -0.05 0.00 -0.02 0.00 0.00 41.12 41.63 1y91 n ASP 235 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1y91 s TYR 236 N -1.79 3.61 -0.03 1.24 5.04 -0.06 -4.90 117.35 120.45 1y91 s TYR 236 Ca 0.19 1.75 0.01 0.00 -2.44 0.00 0.00 57.07 56.58 1y91 s TYR 236 Cb 0.15 -3.05 0.02 0.00 0.35 0.00 0.00 41.96 39.44 1y91 s TYR 236 CO 0.05 -0.10 -0.01 0.15 -1.34 0.00 0.00 175.55 174.30 1y91 s LYS 237 N -1.93 0.38 0.43 4.97 -0.14 -1.26 -4.91 119.74 117.27 1y91 s LYS 237 Ca 0.50 0.03 0.15 0.00 -1.36 0.00 0.00 55.97 55.29 1y91 s LYS 237 Cb -0.23 -0.52 1.04 0.00 -1.68 0.00 0.00 37.83 36.44 1y91 s LYS 237 CO 0.29 -0.11 1.96 -1.35 -0.76 0.00 0.00 175.35 175.37 1y91 h PRO 238 N 7.15 0.40 0.00 -1.68 0.11 -1.97 -0.36 132.00 135.66 1y91 h PRO 238 Ca -0.41 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1y91 h PRO 238 Cb 1.14 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1y91 h PRO 238 CO 0.48 0.27 0.00 -1.13 -0.21 0.00 0.00 178.00 177.41 1y91 n SER 239 N -4.47 0.00 -4.62 -2.05 3.41 -1.26 -4.75 113.62 99.88 1y91 n SER 239 Ca 0.12 -0.00 -0.50 0.00 -0.26 0.00 0.00 58.87 58.22 1y91 n SER 239 Cb 0.43 -0.18 -0.05 0.00 -0.26 0.00 0.00 64.21 64.15 1y91 n SER 239 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1y91 n PHE 240 N -1.18 1.77 -1.98 7.33 3.72 -0.15 -4.95 117.46 122.03 1y91 n PHE 240 Ca 0.05 0.51 -0.37 0.00 -0.05 0.00 0.00 57.45 57.60 1y91 n PHE 240 Cb 0.06 -2.41 0.03 0.00 -0.94 0.00 0.00 39.48 36.22 1y91 n PHE 240 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 1y91 s PRO 241 N 0.83 3.08 -0.71 -1.08 0.02 -1.26 -4.97 135.00 130.91 1y91 s PRO 241 Ca 0.84 1.92 -0.16 0.00 0.02 0.00 0.00 61.00 63.62 1y91 s PRO 241 Cb -0.88 -2.05 0.16 0.00 0.02 0.00 0.00 34.50 31.76 1y91 s PRO 241 CO 0.45 -1.14 0.71 0.15 -0.33 0.00 0.00 177.00 176.84 1y91 s LYS 242 N -3.16 3.32 0.19 5.54 1.02 -1.26 -4.80 119.74 120.59 1y91 s LYS 242 Ca 0.75 -1.98 -0.18 0.00 0.02 0.00 0.00 55.97 54.58 1y91 s LYS 242 Cb -0.33 -4.41 -0.08 0.00 -0.52 0.00 0.00 37.83 32.50 1y91 s LYS 242 CO 0.37 -1.39 0.66 -1.58 -0.92 0.00 0.00 175.35 172.49 1y91 s TRP 243 N 1.25 3.66 0.25 3.18 0.51 -1.26 -4.91 118.94 121.62 1y91 s TRP 243 Ca 0.14 1.29 -0.20 0.00 -2.12 0.00 0.00 56.10 55.20 1y91 s TRP 243 Cb -0.18 -2.54 -0.09 0.00 -0.81 0.00 0.00 33.47 29.85 1y91 s TRP 243 CO -0.03 0.39 0.77 0.00 -0.51 0.00 0.00 176.95 177.57 1y91 s ALA 244 N -1.46 3.36 0.60 0.98 0.00 -1.26 -1.64 121.76 122.34 1y91 s ALA 244 Ca 0.40 0.22 -0.19 0.00 0.00 0.00 0.00 51.96 52.39 1y91 s ALA 244 Cb -0.17 -2.88 -0.03 0.00 0.00 0.00 0.00 23.12 20.04 1y91 s ALA 244 CO 0.20 0.30 1.20 0.50 0.00 0.00 0.00 175.76 177.97 1y91 s ARG 245 N -2.11 2.95 0.21 0.00 3.52 -1.26 -4.14 118.95 118.11 1y91 s ARG 245 Ca 0.46 1.81 0.07 0.00 -0.13 0.00 0.00 55.73 57.93 1y91 s ARG 245 Cb -0.16 -1.93 -0.04 0.00 -1.56 0.00 0.00 34.95 31.26 1y91 s ARG 245 CO 0.21 -1.22 0.08 -0.65 -0.81 0.00 0.00 175.30 172.91 1y91 s GLN 246 N -3.37 2.64 0.35 5.12 -0.21 -1.01 -4.90 119.66 118.29 1y91 s GLN 246 Ca 0.77 -1.09 -0.21 0.00 0.02 0.00 0.00 55.36 54.84 1y91 s GLN 246 Cb -0.30 -2.45 -0.10 0.00 1.00 0.00 0.00 33.01 31.17 1y91 s GLN 246 CO 0.33 0.43 0.88 -0.51 -2.12 0.00 0.00 175.29 174.31 1y91 s ASP 247 N -3.36 7.05 0.00 5.90 1.01 -1.26 -4.89 116.67 121.13 1y91 s ASP 247 Ca 0.30 1.63 0.19 0.00 0.71 0.00 0.00 52.55 55.39 1y91 s ASP 247 Cb -0.09 -2.51 1.13 0.00 1.01 0.00 0.00 42.92 42.46 1y91 s ASP 247 CO 0.22 -0.19 1.54 0.49 0.21 0.00 0.00 175.17 177.43 1y91 n PHE 248 N -0.05 0.00 0.10 4.23 3.01 -1.26 -1.79 117.46 121.70 1y91 n PHE 248 Ca 0.04 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.49 1y91 n PHE 248 Cb 0.52 -0.02 0.29 0.00 -0.01 0.00 0.00 39.48 40.26 1y91 n PHE 248 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1y91 h SER 249 N 0.00 0.25 0.95 4.37 4.64 -1.94 -0.82 113.55 121.00 1y91 h SER 249 Ca 0.00 -0.08 -0.16 0.00 -0.47 0.00 0.00 61.79 61.07 1y91 h SER 249 Cb 0.01 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.01 1y91 h SER 249 CO 0.00 0.54 -1.12 0.50 -0.87 0.00 0.00 176.83 175.88 1y91 h LYS 250 N 0.22 0.00 0.10 4.77 3.64 -1.75 -3.33 116.57 120.22 1y91 h LYS 250 Ca 0.03 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.14 1y91 h LYS 250 Cb 0.63 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.47 1y91 h LYS 250 CO 0.05 0.44 -1.18 0.28 -2.27 0.00 0.00 179.45 176.77 1y91 h VAL 251 N 0.00 1.38 -1.45 2.00 2.07 -1.44 -3.41 116.25 115.40 1y91 h VAL 251 Ca -0.11 -2.65 -0.47 0.00 0.82 0.00 0.00 66.70 64.29 1y91 h VAL 251 Cb 1.58 2.71 -0.41 0.00 -1.52 0.00 0.00 31.29 33.66 1y91 h VAL 251 CO 0.06 0.79 -1.01 1.33 0.02 0.00 0.00 177.57 178.76 1y91 n VAL 252 N -3.70 1.39 -2.40 2.57 0.24 -0.34 -4.98 118.33 111.11 1y91 n VAL 252 Ca -0.10 -4.10 -0.37 0.00 -2.04 0.00 0.00 64.34 57.72 1y91 n VAL 252 Cb 0.96 -0.24 -0.03 0.00 -1.47 0.00 0.00 33.84 33.07 1y91 n VAL 252 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1y91 s PRO 253 N -3.15 4.09 -0.86 7.34 0.04 -1.25 0.49 135.00 141.69 1y91 s PRO 253 Ca 0.37 1.69 0.00 0.00 0.04 0.00 0.00 61.00 63.11 1y91 s PRO 253 Cb 0.41 -2.61 0.26 0.00 0.04 0.00 0.00 34.50 32.60 1y91 s PRO 253 CO -0.06 -0.25 1.01 -0.35 0.04 0.00 0.00 177.00 177.39 1y91 n PRO 254 N -0.00 3.22 -2.55 0.56 -0.05 -1.26 -4.71 135.00 130.21 1y91 n PRO 254 Ca 0.05 -4.58 -0.40 0.00 -0.05 0.00 0.00 63.50 58.51 1y91 n PRO 254 Cb 0.48 -2.39 -0.05 0.00 -0.05 0.00 0.00 33.50 31.49 1y91 n PRO 254 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 175.50 174.28 1y91 s LEU 255 N -2.28 4.56 1.21 1.53 2.96 0.18 -5.05 118.68 121.79 1y91 s LEU 255 Ca 0.33 2.18 -0.20 0.00 -0.22 0.00 0.00 54.13 56.22 1y91 s LEU 255 Cb 0.05 -3.65 0.30 0.00 0.50 0.00 0.00 46.19 43.39 1y91 s LEU 255 CO -0.00 -0.08 1.16 1.51 -1.32 0.00 0.00 176.35 177.61 1y91 s ASP 256 N -0.99 0.88 0.36 3.68 1.47 -1.26 -4.70 116.67 116.12 1y91 s ASP 256 Ca 0.44 0.43 0.11 0.00 1.18 0.00 0.00 52.55 54.72 1y91 s ASP 256 Cb -0.30 -0.53 0.70 0.00 -0.34 0.00 0.00 42.92 42.45 1y91 s ASP 256 CO 0.38 -4.13 1.83 -0.08 0.68 0.00 0.00 175.17 173.85 1y91 h GLU 257 N -2.59 0.08 -0.36 2.11 4.57 -1.99 -1.70 114.58 114.70 1y91 h GLU 257 Ca -0.42 -0.03 -0.15 0.00 -1.18 0.00 0.00 59.36 57.57 1y91 h GLU 257 Cb 1.27 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.85 1y91 h GLU 257 CO 0.28 0.41 -0.37 -0.44 -1.18 0.00 0.00 179.01 177.71 1y91 h ASP 258 N 0.07 0.96 -0.26 1.04 3.32 -1.96 -2.16 116.42 117.43 1y91 h ASP 258 Ca 0.01 -0.47 -0.13 0.00 0.02 0.00 0.00 57.03 56.46 1y91 h ASP 258 Cb 0.63 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 1y91 h ASP 258 CO 0.05 1.23 -0.35 1.23 -1.72 0.00 0.00 179.24 179.68 1y91 h GLY 259 N 0.70 0.76 1.09 2.75 0.00 -1.83 -0.60 103.07 105.94 1y91 h GLY 259 Ca 0.06 -0.83 -0.08 0.00 0.00 0.00 0.00 47.33 46.48 1y91 h GLY 259 CO 0.09 0.75 0.12 3.21 0.00 0.00 0.00 176.54 180.71 1y91 h ARG 260 N 0.42 1.11 0.21 4.80 3.08 -1.34 -0.40 114.38 122.25 1y91 h ARG 260 Ca 0.03 -0.29 -0.00 0.00 0.07 0.00 0.00 59.98 59.78 1y91 h ARG 260 Cb 0.94 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 1y91 h ARG 260 CO 0.08 1.01 -0.16 1.03 -1.07 0.00 0.00 179.97 180.87 1y91 h SER 261 N 1.04 -0.40 0.20 7.04 0.87 -1.28 -2.25 113.55 118.77 1y91 h SER 261 Ca 0.21 0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.81 1y91 h SER 261 Cb 0.43 0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.50 1y91 h SER 261 CO 0.01 -0.25 -0.26 0.25 -0.53 0.00 0.00 176.83 176.05 1y91 h LEU 262 N -0.37 -0.72 -1.20 2.23 6.46 -0.89 -2.00 115.31 118.82 1y91 h LEU 262 Ca -0.01 0.07 0.18 0.00 -0.12 0.00 0.00 57.88 58.00 1y91 h LEU 262 Cb 0.33 0.26 -0.09 0.00 -0.73 0.00 0.00 40.66 40.43 1y91 h LEU 262 CO -0.01 -0.37 0.61 0.25 -0.62 0.00 0.00 178.44 178.30 1y91 h LEU 263 N -0.52 0.68 -0.63 2.25 5.85 -1.11 -1.08 115.31 120.75 1y91 h LEU 263 Ca 0.01 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.81 1y91 h LEU 263 Cb 0.51 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 1y91 h LEU 263 CO -0.10 0.28 0.40 -1.28 -0.34 0.00 0.00 178.44 177.41 1y91 h SER 264 N 0.69 0.68 1.38 1.25 0.87 -0.74 -1.41 113.55 116.26 1y91 h SER 264 Ca 0.52 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 61.07 1y91 h SER 264 Cb 0.89 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.69 1y91 h SER 264 CO -0.28 0.49 0.00 1.56 -0.53 0.00 0.00 176.83 178.07 1y91 h GLN 265 N 0.81 0.00 0.00 2.24 4.20 -0.70 -2.65 115.11 119.01 1y91 h GLN 265 Ca 0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.95 1y91 h GLN 265 Cb -0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.73 1y91 h GLN 265 CO -0.07 0.00 -0.82 0.52 -0.67 0.00 0.00 178.83 177.79 1y91 h MET 266 N 0.00 0.00 -0.33 1.46 2.86 -0.84 0.11 114.93 118.19 1y91 h MET 266 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1y91 h MET 266 Cb 0.69 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.35 1y91 h MET 266 CO 0.00 0.00 0.00 1.28 1.06 0.00 0.00 176.91 179.25 1y91 n LEU 267 N -2.50 3.52 -4.64 1.22 4.77 -0.59 -3.75 117.00 115.03 1y91 n LEU 267 Ca 0.01 -2.50 -0.49 0.00 -0.03 0.00 0.00 56.01 53.01 1y91 n LEU 267 Cb 0.51 -0.40 -0.05 0.00 -2.33 0.00 0.00 43.42 41.15 1y91 n LEU 267 CO 0.38 0.71 1.12 1.41 -1.33 0.00 0.00 177.39 179.69 1y91 n HIS 268 N 0.10 2.01 -0.19 -1.77 8.25 -1.01 -4.90 115.22 117.70 1y91 n HIS 268 Ca 0.17 0.39 0.00 0.00 -0.26 0.00 0.00 57.72 58.02 1y91 n HIS 268 Cb 0.68 -2.48 0.10 0.00 1.12 0.00 0.00 29.99 29.41 1y91 n HIS 268 CO 0.00 0.00 0.00 1.88 0.64 0.00 0.00 176.34 178.86 1y91 h TYR 269 N 5.80 0.08 -3.55 4.41 0.05 -1.92 -3.40 116.97 118.44 1y91 h TYR 269 Ca -0.46 0.04 -0.60 0.00 0.05 0.00 0.00 58.73 57.76 1y91 h TYR 269 Cb 1.29 0.05 -0.10 0.00 1.01 0.00 0.00 36.73 38.98 1y91 h TYR 269 CO 0.64 -0.09 0.56 0.34 -1.05 0.00 0.00 178.16 178.57 1y91 s ASP 270 N -5.27 6.61 0.46 3.88 -1.08 -1.26 -4.82 116.67 115.19 1y91 s ASP 270 Ca -0.13 0.41 0.19 0.00 -0.52 0.00 0.00 52.55 52.49 1y91 s ASP 270 Cb 0.18 -2.45 1.16 0.00 -1.46 0.00 0.00 42.92 40.35 1y91 s ASP 270 CO 0.74 -0.90 1.95 -0.65 0.52 0.00 0.00 175.17 176.83 1y91 h PRO 271 N 8.66 0.28 0.00 4.34 0.11 -1.96 -1.53 132.00 141.90 1y91 h PRO 271 Ca -0.24 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.83 1y91 h PRO 271 Cb 1.08 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 1y91 h PRO 271 CO 0.99 0.18 -0.11 -0.97 -0.21 0.00 0.00 178.00 177.87 1y91 h ASN 272 N 0.29 0.00 0.02 -2.05 -1.24 -1.94 -2.77 115.58 107.89 1y91 h ASN 272 Ca 0.33 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.34 1y91 h ASN 272 Cb 0.88 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.93 1y91 h ASN 272 CO -0.08 0.11 -1.09 0.29 -1.29 0.00 0.00 177.43 175.38 1y91 n LYS 273 N -3.20 0.07 -1.75 6.67 4.76 -0.66 -4.97 118.16 119.09 1y91 n LYS 273 Ca 0.01 -0.02 -0.42 0.00 -2.87 0.00 0.00 58.31 55.02 1y91 n LYS 273 Cb 0.44 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 32.11 1y91 n LYS 273 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1y91 n ARG 274 N -1.59 2.59 -2.01 1.97 0.63 -0.72 -4.93 116.66 112.60 1y91 n ARG 274 Ca 0.03 0.91 -0.39 0.00 -0.92 0.00 0.00 57.85 57.49 1y91 n ARG 274 Cb 0.36 -2.64 0.01 0.00 0.45 0.00 0.00 32.46 30.63 1y91 n ARG 274 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 1y91 s ILE 275 N -0.65 2.53 0.60 5.15 2.07 0.40 -5.01 121.20 126.28 1y91 s ILE 275 Ca 0.58 0.45 -0.07 0.00 -1.41 0.00 0.00 60.65 60.20 1y91 s ILE 275 Cb -0.50 -3.25 0.00 0.00 0.13 0.00 0.00 42.46 38.84 1y91 s ILE 275 CO 0.57 0.04 0.92 -0.94 -1.91 0.00 0.00 174.94 173.63 1y91 s SER 276 N -0.85 5.69 0.25 4.50 1.04 -1.26 -4.89 113.70 118.18 1y91 s SER 276 Ca 0.61 0.85 -0.05 0.00 0.48 0.00 0.00 55.95 57.84 1y91 s SER 276 Cb -0.38 -1.85 0.31 0.00 0.10 0.00 0.00 66.02 64.20 1y91 s SER 276 CO 0.47 -1.03 1.90 0.00 0.98 0.00 0.00 173.24 175.56 1y91 h ALA 277 N -0.21 1.29 -0.10 5.32 0.00 -1.93 0.32 119.26 123.95 1y91 h ALA 277 Ca -0.45 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.42 1y91 h ALA 277 Cb 1.25 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1y91 h ALA 277 CO 0.61 0.54 -0.00 -0.22 0.00 0.00 0.00 179.25 180.18 1y91 h LYS 278 N 1.25 0.03 -0.31 0.00 3.64 -1.93 0.23 116.57 119.48 1y91 h LYS 278 Ca 0.38 -0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.64 1y91 h LYS 278 Cb -0.02 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 1y91 h LYS 278 CO -0.12 0.02 -0.31 0.00 -2.27 0.00 0.00 179.45 176.78 1y91 h ALA 279 N 1.08 0.89 -0.17 5.00 0.00 -1.86 -2.34 119.26 121.86 1y91 h ALA 279 Ca 0.04 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 1y91 h ALA 279 Cb 0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1y91 h ALA 279 CO -0.08 0.63 -0.05 0.00 0.00 0.00 0.00 179.25 179.75 1y91 h ALA 280 N 1.10 1.60 0.00 0.00 0.00 0.15 -2.02 119.26 120.10 1y91 h ALA 280 Ca 0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1y91 h ALA 280 Cb 0.80 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1y91 h ALA 280 CO 0.07 0.29 -0.03 -0.07 0.00 0.00 0.00 179.25 179.51 1y91 h LEU 281 N 0.24 0.00 -0.68 0.00 3.38 -0.06 -2.54 115.31 115.65 1y91 h LEU 281 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1y91 h LEU 281 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1y91 h LEU 281 CO 0.01 0.03 -0.38 0.00 0.09 0.00 0.00 178.44 178.20 1y91 n ALA 282 N -2.27 3.34 -1.80 1.53 0.00 -0.76 -4.84 120.51 115.71 1y91 n ALA 282 Ca -0.03 -0.51 -0.42 0.00 0.00 0.00 0.00 53.44 52.49 1y91 n ALA 282 Cb 0.13 -0.98 -0.02 0.00 0.00 0.00 0.00 19.45 18.58 1y91 n ALA 282 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1y91 s HIS 283 N -2.51 2.86 -0.06 0.00 5.04 -0.96 -4.88 115.29 114.78 1y91 s HIS 283 Ca 0.21 0.74 0.12 0.00 -1.54 0.00 0.00 55.06 54.60 1y91 s HIS 283 Cb 0.19 -4.02 0.68 0.00 0.04 0.00 0.00 32.58 29.47 1y91 s HIS 283 CO 0.56 -3.51 1.28 -2.30 -2.34 0.00 0.00 174.74 168.43 1y91 n PRO 284 N 2.68 0.09 0.22 2.88 -0.02 -1.26 -0.69 135.00 138.89 1y91 n PRO 284 Ca 0.10 0.55 0.16 0.00 -2.02 0.00 0.00 63.50 62.29 1y91 n PRO 284 Cb 0.38 -2.05 0.82 0.00 -0.02 0.00 0.00 33.50 32.64 1y91 n PRO 284 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1y91 h PHE 285 N 0.00 0.00 -0.60 6.00 3.57 -1.90 -2.27 116.94 121.73 1y91 h PHE 285 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1y91 h PHE 285 Cb 0.54 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.28 1y91 h PHE 285 CO 0.00 0.00 0.00 1.19 -2.23 0.00 0.00 178.31 177.27 1y91 n PHE 286 N -3.89 0.80 -0.20 0.41 3.72 0.13 -4.37 117.46 114.05 1y91 n PHE 286 Ca 0.01 -0.44 0.01 0.00 -0.05 0.00 0.00 57.45 56.97 1y91 n PHE 286 Cb 0.28 -0.00 0.11 0.00 -0.94 0.00 0.00 39.48 38.93 1y91 n PHE 286 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1y91 h GLN 287 N 3.97 0.28 -0.93 -1.08 5.75 -1.56 -2.37 115.11 119.17 1y91 h GLN 287 Ca 0.00 -0.02 -0.62 0.00 -0.15 0.00 0.00 58.65 57.86 1y91 h GLN 287 Cb 0.95 -0.06 -0.31 0.00 1.07 0.00 0.00 27.48 29.13 1y91 h GLN 287 CO 0.00 0.18 0.53 -0.40 -2.65 0.00 0.00 178.83 176.50 1y91 n ASP 288 N -5.11 6.62 -4.73 -0.69 5.75 -1.26 -5.00 116.55 112.12 1y91 n ASP 288 Ca 0.09 -3.77 -0.41 0.00 -0.01 0.00 0.00 54.79 50.70 1y91 n ASP 288 Cb 0.32 -0.84 -0.05 0.00 -1.03 0.00 0.00 41.12 39.52 1y91 n ASP 288 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1y91 s VAL 289 N -4.57 4.59 0.41 2.12 0.11 -0.90 -5.04 120.40 117.12 1y91 s VAL 289 Ca 0.61 1.91 0.04 0.00 -2.93 0.00 0.00 61.98 61.60 1y91 s VAL 289 Cb 0.49 -4.25 -0.03 0.00 -1.53 0.00 0.00 36.38 31.06 1y91 s VAL 289 CO 0.01 0.33 0.11 0.42 -3.33 0.00 0.00 175.10 172.65 1y91 s THR 290 N -0.02 0.69 -0.54 5.04 -4.23 -1.26 -5.10 115.64 110.22 1y91 s THR 290 Ca 0.44 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.98 1y91 s THR 290 Cb -0.22 -2.37 0.15 0.00 1.34 0.00 0.00 72.50 71.41 1y91 s THR 290 CO 0.27 0.00 0.35 -0.75 -0.54 0.00 0.00 174.62 173.95 1y91 s LYS 291 N -3.74 1.71 0.31 3.99 2.20 -1.26 -4.40 119.74 118.55 1y91 s LYS 291 Ca 0.23 -2.57 -0.28 0.00 -0.36 0.00 0.00 55.97 52.99 1y91 s LYS 291 Cb 0.03 -2.65 -0.09 0.00 -1.51 0.00 0.00 37.83 33.60 1y91 s LYS 291 CO 0.14 -1.24 1.11 -2.14 -0.36 0.00 0.00 175.35 172.85 1y91 s PRO 292 N -0.42 4.52 0.18 4.03 0.02 -1.26 -5.02 135.00 137.05 1y91 s PRO 292 Ca 0.23 1.79 -0.31 0.00 0.02 0.00 0.00 61.00 62.74 1y91 s PRO 292 Cb -0.12 -3.06 -0.09 0.00 0.02 0.00 0.00 34.50 31.25 1y91 s PRO 292 CO -0.10 0.10 1.39 0.54 -0.33 0.00 0.00 177.00 178.60 1y91 s VAL 293 N -1.25 3.06 0.08 3.83 0.11 -1.26 -4.67 120.40 120.31 1y91 s VAL 293 Ca 0.47 0.83 -0.11 0.00 -2.93 0.00 0.00 61.98 60.24 1y91 s VAL 293 Cb -0.31 -3.53 -0.06 0.00 -1.53 0.00 0.00 36.38 30.95 1y91 s VAL 293 CO 0.40 0.10 0.43 -2.16 -3.33 0.00 0.00 175.10 170.54 1y91 s PRO 294 N 0.31 3.83 -0.27 1.54 0.04 -1.26 -5.03 135.00 134.15 1y91 s PRO 294 Ca 0.61 0.27 -0.29 0.00 0.04 0.00 0.00 61.00 61.63 1y91 s PRO 294 Cb -0.38 -3.02 0.01 0.00 0.04 0.00 0.00 34.50 31.14 1y91 s PRO 294 CO 0.36 0.57 1.14 -1.58 0.04 0.00 0.00 177.00 177.52 1y91 s HIS 295 N -1.36 3.06 -0.19 0.56 2.46 -1.26 -4.93 115.29 113.63 1y91 s HIS 295 Ca 0.32 1.17 -0.02 0.00 0.47 0.00 0.00 55.06 57.00 1y91 s HIS 295 Cb -0.15 -3.61 -0.11 0.00 -0.13 0.00 0.00 32.58 28.58 1y91 s HIS 295 CO 0.17 -1.01 -0.20 1.28 -2.47 0.00 0.00 174.74 172.52 1y91 n LEU 296 N 6.84 2.52 -2.76 8.88 4.77 -1.26 -5.11 117.00 130.89 1y91 n LEU 296 Ca 0.13 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.09 1y91 n LEU 296 Cb 0.46 -0.65 -0.02 0.00 -2.33 0.00 0.00 43.42 40.89 1y91 n LEU 296 CO 0.58 0.70 -0.26 0.54 -1.33 0.00 0.00 177.39 177.63 1y91 n ARG 297 N -3.31 -2.52 0.00 3.23 1.74 -1.26 -5.11 116.66 109.43 1y91 n ARG 297 Ca -0.36 2.01 0.05 0.00 -0.77 0.00 0.00 57.85 58.79 1y91 n ARG 297 Cb 0.84 -2.44 0.04 0.00 -1.02 0.00 0.00 32.46 29.88 1y91 n ARG 297 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39