#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fai n VAL 2 N 0.00 -0.08 -3.74 5.09 0.31 -1.26 -5.00 118.33 113.65 1fai n VAL 2 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 1fai n VAL 2 Cb 0.00 -0.11 -0.11 0.00 -0.91 0.00 0.00 33.84 32.71 1fai n VAL 2 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1fai s GLN 3 N -1.00 0.41 -0.33 5.55 0.74 -1.01 -5.00 119.66 119.01 1fai s GLN 3 Ca 0.00 0.57 0.03 0.00 0.05 0.00 0.00 55.36 56.00 1fai s GLN 3 Cb 0.00 0.14 0.09 0.00 1.10 0.00 0.00 33.01 34.34 1fai s GLN 3 CO 0.00 -0.08 0.03 -0.51 -0.55 0.00 0.00 175.29 174.18 1fai s LEU 4 N 0.50 4.50 -0.22 3.68 1.43 -1.26 -1.30 118.68 126.01 1fai s LEU 4 Ca -0.02 -1.93 -0.29 0.00 -1.03 0.00 0.00 54.13 50.85 1fai s LEU 4 Cb -0.04 -1.64 0.01 0.00 0.03 0.00 0.00 46.19 44.54 1fai s LEU 4 CO -0.03 -0.35 1.05 -1.10 0.23 0.00 0.00 176.35 176.15 1fai s GLN 5 N 0.99 4.27 0.00 1.70 -0.21 0.47 -4.01 119.66 122.87 1fai s GLN 5 Ca 0.05 1.38 0.00 0.00 0.02 0.00 0.00 55.36 56.82 1fai s GLN 5 Cb -0.20 -3.64 0.00 0.00 1.00 0.00 0.00 33.01 30.17 1fai s GLN 5 CO -0.06 -0.61 0.00 1.04 -2.12 0.00 0.00 175.29 173.53 1fai n GLN 6 N 6.24 1.91 -0.07 2.91 6.02 -1.26 -0.17 117.38 132.95 1fai n GLN 6 Ca 0.12 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.95 1fai n GLN 6 Cb 0.46 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.59 1fai n GLN 6 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1fai n SER 7 N -0.42 1.47 0.00 1.08 3.41 -1.24 -4.79 113.62 113.14 1fai n SER 7 Ca 0.00 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 1fai n SER 7 Cb 0.00 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 1fai n SER 7 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fai n GLY 8 N 2.00 2.40 3.20 5.00 0.00 -1.26 -4.99 105.19 111.53 1fai n GLY 8 Ca -0.36 -1.22 -0.36 0.00 0.00 0.00 0.00 46.02 44.08 1fai n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fai n ALA 9 N 1.69 -3.85 -3.06 4.61 0.00 -1.26 -4.96 120.51 113.67 1fai n ALA 9 Ca 0.00 -0.47 -0.12 0.00 0.00 0.00 0.00 53.44 52.85 1fai n ALA 9 Cb 0.00 -1.43 -0.12 0.00 0.00 0.00 0.00 19.45 17.90 1fai n ALA 9 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1fai s GLU 10 N -2.21 0.24 -0.19 0.00 1.03 -1.15 -5.03 118.70 111.39 1fai s GLU 10 Ca 0.51 0.18 -0.06 0.00 0.03 0.00 0.00 54.97 55.63 1fai s GLU 10 Cb -0.28 0.11 -0.03 0.00 -0.80 0.00 0.00 34.13 33.13 1fai s GLU 10 CO 0.73 -0.04 0.02 -1.17 -1.33 0.00 0.00 175.26 173.47 1fai s LEU 11 N -0.07 3.47 0.06 1.83 2.96 -1.26 -3.30 118.68 122.38 1fai s LEU 11 Ca -0.02 -0.08 0.05 0.00 -0.22 0.00 0.00 54.13 53.86 1fai s LEU 11 Cb -0.02 -1.87 -0.03 0.00 0.50 0.00 0.00 46.19 44.77 1fai s LEU 11 CO 0.00 0.12 -0.13 0.54 -1.32 0.00 0.00 176.35 175.56 1fai s VAL 12 N 0.65 1.04 0.56 1.68 0.11 -0.94 -5.03 120.40 118.46 1fai s VAL 12 Ca 0.01 -1.23 -0.12 0.00 -2.93 0.00 0.00 61.98 57.71 1fai s VAL 12 Cb -0.14 -1.01 -0.05 0.00 -1.53 0.00 0.00 36.38 33.65 1fai s VAL 12 CO 0.02 -0.21 0.97 -0.60 -3.33 0.00 0.00 175.10 171.95 1fai s ARG 13 N -1.62 3.70 1.15 1.54 3.52 -1.26 -1.49 118.95 124.49 1fai s ARG 13 Ca -0.02 0.72 -0.13 0.00 -0.13 0.00 0.00 55.73 56.17 1fai s ARG 13 Cb -0.10 -2.16 0.28 0.00 -1.56 0.00 0.00 34.95 31.42 1fai s ARG 13 CO 0.02 -0.40 1.03 0.00 -0.81 0.00 0.00 175.30 175.14 1fai s ALA 14 N -2.91 -0.37 0.00 6.12 0.00 -1.26 -3.08 121.76 120.25 1fai s ALA 14 Ca 0.55 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.41 1fai s ALA 14 Cb -0.11 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.76 1fai s ALA 14 CO 0.45 -3.79 0.00 0.41 0.00 0.00 0.00 175.76 172.83 1fai n GLY 15 N 0.72 0.00 0.00 0.00 0.00 0.13 -4.83 105.19 101.20 1fai n GLY 15 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1fai n GLY 15 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1fai n SER 16 N -0.04 0.00 -3.62 1.61 7.64 -1.18 -4.20 113.62 113.84 1fai n SER 16 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 1fai n SER 16 Cb 0.10 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.26 1fai n SER 16 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1fai s SER 17 N -1.00 -1.06 0.30 6.43 0.15 -1.26 -1.68 113.70 115.58 1fai s SER 17 Ca 0.00 1.46 0.04 0.00 0.70 0.00 0.00 55.95 58.16 1fai s SER 17 Cb 0.00 2.16 -0.02 0.00 -1.71 0.00 0.00 66.02 66.45 1fai s SER 17 CO 0.00 -0.21 0.45 0.68 1.20 0.00 0.00 173.24 175.37 1fai s VAL 18 N 2.76 4.77 -0.16 4.45 -7.23 -0.78 -4.95 120.40 119.26 1fai s VAL 18 Ca -0.06 -0.86 -0.03 0.00 -1.81 0.00 0.00 61.98 59.22 1fai s VAL 18 Cb -0.11 -3.69 0.05 0.00 0.56 0.00 0.00 36.38 33.20 1fai s VAL 18 CO -0.19 -0.32 0.05 -0.75 -0.31 0.00 0.00 175.10 173.59 1fai s LYS 19 N -4.14 0.37 0.36 4.82 2.20 -1.26 -0.72 119.74 121.37 1fai s LYS 19 Ca 0.40 -0.17 -0.01 0.00 -0.36 0.00 0.00 55.97 55.83 1fai s LYS 19 Cb -0.09 -1.75 -0.04 0.00 -1.51 0.00 0.00 37.83 34.44 1fai s LYS 19 CO 0.32 -0.59 0.58 -1.64 -0.36 0.00 0.00 175.35 173.66 1fai s MET 20 N 2.00 3.51 0.44 4.03 -1.94 -0.97 -4.84 119.30 121.54 1fai s MET 20 Ca 0.01 -0.23 0.05 0.00 -1.71 0.00 0.00 55.69 53.81 1fai s MET 20 Cb -0.16 -2.62 -0.06 0.00 2.01 0.00 0.00 34.83 34.00 1fai s MET 20 CO -0.08 0.11 0.02 -1.54 -0.01 0.00 0.00 175.02 173.53 1fai s SER 21 N -3.95 4.00 -0.47 3.03 1.04 -1.26 -2.33 113.70 113.76 1fai s SER 21 Ca 0.41 -1.44 0.07 0.00 0.48 0.00 0.00 55.95 55.47 1fai s SER 21 Cb -0.10 -0.11 0.18 0.00 0.10 0.00 0.00 66.02 66.09 1fai s SER 21 CO 0.37 -0.59 0.63 0.00 0.98 0.00 0.00 173.24 174.63 1fai s LYS 23 N 1.04 3.58 -0.25 0.00 2.47 0.76 -2.71 119.74 124.62 1fai s LYS 23 Ca 0.26 1.57 -0.09 0.00 -1.56 0.00 0.00 55.97 56.16 1fai s LYS 23 Cb -0.02 -4.12 -0.04 0.00 -1.46 0.00 0.00 37.83 32.19 1fai s LYS 23 CO -0.07 -1.57 0.11 0.00 0.16 0.00 0.00 175.35 173.98 1fai s ALA 24 N 6.02 3.34 0.45 3.13 0.00 -0.41 -0.39 121.76 133.90 1fai s ALA 24 Ca 0.76 -1.04 0.04 0.00 0.00 0.00 0.00 51.96 51.72 1fai s ALA 24 Cb -0.24 -2.19 -0.04 0.00 0.00 0.00 0.00 23.12 20.65 1fai s ALA 24 CO 0.32 -0.38 0.02 -1.54 0.00 0.00 0.00 175.76 174.18 1fai s SER 25 N 1.42 3.85 0.00 0.00 1.04 -0.42 -4.79 113.70 114.80 1fai s SER 25 Ca 0.06 -1.52 0.00 0.00 0.48 0.00 0.00 55.95 54.97 1fai s SER 25 Cb -0.15 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.07 1fai s SER 25 CO 0.05 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.21 1fai n GLY 26 N -1.09 3.11 2.31 7.32 0.00 -1.26 -2.41 105.19 113.17 1fai n GLY 26 Ca -0.12 -0.91 -0.20 0.00 0.00 0.00 0.00 46.02 44.80 1fai n GLY 26 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1fai n TYR 27 N 0.00 0.53 -2.42 1.61 4.11 -1.26 -4.67 117.16 115.07 1fai n TYR 27 Ca 0.00 -1.66 -0.41 0.00 -0.00 0.00 0.00 57.90 55.83 1fai n TYR 27 Cb 0.00 -0.14 -0.03 0.00 -0.00 0.00 0.00 39.34 39.17 1fai n TYR 27 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.86 177.85 1fai s THR 28 N -2.32 3.74 0.32 -3.48 2.01 -1.26 -4.89 115.64 109.75 1fai s THR 28 Ca 0.05 0.56 0.06 0.00 0.31 0.00 0.00 61.69 62.67 1fai s THR 28 Cb 0.00 -4.55 0.39 0.00 0.01 0.00 0.00 72.50 68.35 1fai s THR 28 CO 0.03 -1.36 1.58 0.15 -0.69 0.00 0.00 174.62 174.33 1fai h PHE 29 N 11.07 0.21 0.00 4.92 3.57 -1.93 -1.24 116.94 133.54 1fai h PHE 29 Ca -0.27 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.29 1fai h PHE 29 Cb 1.08 0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.89 1fai h PHE 29 CO 1.06 -0.42 0.00 0.25 -2.23 0.00 0.00 178.31 176.98 1fai n THR 30 N -5.40 1.14 0.87 4.41 -2.24 -1.26 -3.46 114.28 108.34 1fai n THR 30 Ca 0.27 0.42 0.10 0.00 -2.27 0.00 0.00 64.05 62.56 1fai n THR 30 Cb 0.88 -1.35 0.00 0.00 -2.10 0.00 0.00 70.33 67.76 1fai n THR 30 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1fai n SER 31 N -1.95 1.90 -4.05 3.42 3.41 -0.47 -2.34 113.62 113.54 1fai n SER 31 Ca 0.01 -1.45 -0.30 0.00 -0.26 0.00 0.00 58.87 56.87 1fai n SER 31 Cb 0.12 0.45 -0.17 0.00 -0.26 0.00 0.00 64.21 64.36 1fai n SER 31 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1fai s TYR 32 N -2.19 2.15 0.66 7.33 1.51 -1.22 -4.82 117.35 120.76 1fai s TYR 32 Ca 0.17 -1.13 -0.17 0.00 -1.01 0.00 0.00 57.07 54.92 1fai s TYR 32 Cb 0.16 -1.56 -0.00 0.00 -0.11 0.00 0.00 41.96 40.45 1fai s TYR 32 CO 0.48 -0.60 1.25 0.20 -1.11 0.00 0.00 175.55 175.78 1fai s GLY 33 N 1.24 2.70 -0.12 0.71 0.00 -1.26 -4.59 107.32 106.01 1fai s GLY 33 Ca -0.00 1.09 0.01 0.00 0.00 0.00 0.00 44.72 45.81 1fai s GLY 33 CO -0.07 1.50 -0.15 0.14 0.00 0.00 0.00 173.10 174.52 1fai s VAL 34 N -1.59 2.85 0.25 1.40 1.01 0.36 -0.59 120.40 124.09 1fai s VAL 34 Ca 0.79 -0.74 0.10 0.00 0.00 0.00 0.00 61.98 62.14 1fai s VAL 34 Cb -0.34 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 1fai s VAL 34 CO 0.40 0.53 -0.09 0.20 0.00 0.00 0.00 175.10 176.14 1fai s ASN 35 N 0.30 4.14 -0.11 3.32 0.01 -0.36 -1.26 114.94 120.98 1fai s ASN 35 Ca -0.12 -0.75 0.03 0.00 -0.71 0.00 0.00 52.86 51.32 1fai s ASN 35 Cb -0.16 -0.63 0.00 0.00 0.41 0.00 0.00 41.25 40.87 1fai s ASN 35 CO 0.06 0.04 -0.22 0.26 -1.51 0.00 0.00 177.10 175.73 1fai s TRP 36 N -2.20 2.47 -0.10 2.20 0.52 -0.16 -1.41 118.94 120.26 1fai s TRP 36 Ca 0.29 -1.08 0.03 0.00 0.02 0.00 0.00 56.10 55.37 1fai s TRP 36 Cb -0.07 -1.67 0.00 0.00 -1.15 0.00 0.00 33.47 30.59 1fai s TRP 36 CO 0.17 -0.46 -0.21 0.08 0.02 0.00 0.00 176.95 176.55 1fai s VAL 37 N 0.52 1.81 0.17 4.03 1.01 -0.56 -0.51 120.40 126.88 1fai s VAL 37 Ca -0.15 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 60.97 1fai s VAL 37 Cb -0.17 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 1fai s VAL 37 CO 0.05 0.51 0.34 -0.75 0.00 0.00 0.00 175.10 175.25 1fai s LYS 38 N 0.50 3.48 -0.31 2.72 2.20 -0.38 -1.03 119.74 126.92 1fai s LYS 38 Ca -0.16 -0.45 -0.03 0.00 -0.36 0.00 0.00 55.97 54.98 1fai s LYS 38 Cb -0.17 -2.90 0.11 0.00 -1.51 0.00 0.00 37.83 33.36 1fai s LYS 38 CO 0.06 0.46 0.16 -1.14 -0.36 0.00 0.00 175.35 174.54 1fai s GLN 39 N -3.23 0.30 0.35 4.03 0.74 0.25 -1.43 119.66 120.67 1fai s GLN 39 Ca 0.37 -0.75 -0.28 0.00 0.05 0.00 0.00 55.36 54.75 1fai s GLN 39 Cb -0.11 -1.17 -0.10 0.00 1.10 0.00 0.00 33.01 32.73 1fai s GLN 39 CO 0.29 -1.08 1.24 1.03 -0.55 0.00 0.00 175.29 176.22 1fai s ARG 40 N 1.81 4.29 -0.28 1.67 1.81 -1.26 -2.63 118.95 124.35 1fai s ARG 40 Ca 0.12 2.06 -0.29 0.00 -1.72 0.00 0.00 55.73 55.91 1fai s ARG 40 Cb -0.18 -2.97 -0.02 0.00 -0.45 0.00 0.00 34.95 31.33 1fai s ARG 40 CO -0.25 -0.19 1.71 -1.25 -0.68 0.00 0.00 175.30 174.63 1fai s PRO 41 N -1.90 3.56 0.00 3.54 0.04 -1.26 -0.31 135.00 138.67 1fai s PRO 41 Ca 0.51 1.53 0.00 0.00 0.04 0.00 0.00 61.00 63.08 1fai s PRO 41 Cb -0.36 -4.12 0.00 0.00 0.04 0.00 0.00 34.50 30.06 1fai s PRO 41 CO 0.48 -1.59 0.00 0.41 0.04 0.00 0.00 177.00 176.34 1fai n GLY 42 N 5.08 0.56 3.84 0.56 0.00 -1.26 -5.05 105.19 108.91 1fai n GLY 42 Ca 0.21 -0.38 -0.22 0.00 0.00 0.00 0.00 46.02 45.63 1fai n GLY 42 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fai s GLN 43 N -0.81 2.50 1.19 1.61 1.11 0.58 -5.13 119.66 120.72 1fai s GLN 43 Ca 0.00 -1.55 -0.16 0.00 0.01 0.00 0.00 55.36 53.66 1fai s GLN 43 Cb 0.00 -2.32 0.28 0.00 -1.01 0.00 0.00 33.01 29.96 1fai s GLN 43 CO 0.00 -0.13 1.03 0.20 0.01 0.00 0.00 175.29 176.41 1fai s GLY 44 N -4.06 1.52 0.99 3.09 0.00 -1.26 -4.66 107.32 102.94 1fai s GLY 44 Ca 0.46 -0.49 -0.13 0.00 0.00 0.00 0.00 44.72 44.56 1fai s GLY 44 CO 0.27 0.31 1.11 1.08 0.00 0.00 0.00 173.10 175.86 1fai s LEU 45 N -7.14 1.63 -0.22 0.66 1.43 -1.26 -4.39 118.68 109.39 1fai s LEU 45 Ca 0.68 1.04 -0.17 0.00 -1.03 0.00 0.00 54.13 54.65 1fai s LEU 45 Cb -0.19 -3.22 0.06 0.00 0.03 0.00 0.00 46.19 42.88 1fai s LEU 45 CO 0.60 -3.06 0.56 -0.70 0.23 0.00 0.00 176.35 173.98 1fai s GLU 46 N -5.11 0.62 -0.21 1.70 2.12 -0.51 -4.96 118.70 112.33 1fai s GLU 46 Ca 0.66 0.86 -0.17 0.00 0.36 0.00 0.00 54.97 56.68 1fai s GLU 46 Cb -0.17 0.22 -0.04 0.00 0.26 0.00 0.00 34.13 34.41 1fai s GLU 46 CO 0.56 -0.11 0.45 -0.46 -0.54 0.00 0.00 175.26 175.16 1fai s TRP 47 N 0.75 3.35 -0.19 5.30 -0.00 -1.26 -1.25 118.94 125.63 1fai s TRP 47 Ca -0.04 0.65 -0.21 0.00 -0.00 0.00 0.00 56.10 56.50 1fai s TRP 47 Cb -0.05 -2.60 -0.19 0.00 -0.00 0.00 0.00 33.47 30.63 1fai s TRP 47 CO -0.06 -0.10 0.27 0.82 -0.00 0.00 0.00 176.95 177.89 1fai h ILE 48 N 5.14 0.97 -1.68 5.86 2.04 -1.17 -3.41 117.51 125.26 1fai h ILE 48 Ca -0.34 -2.09 0.33 0.00 1.00 0.00 0.00 64.86 63.76 1fai h ILE 48 Cb 1.16 2.19 -0.10 0.00 -0.74 0.00 0.00 36.82 39.33 1fai h ILE 48 CO 0.72 0.33 0.86 -0.83 0.00 0.00 0.00 178.15 179.22 1fai s GLY 49 N -4.69 -0.31 0.00 5.37 0.00 -1.19 -0.32 107.32 106.19 1fai s GLY 49 Ca -0.26 0.46 0.01 0.00 0.00 0.00 0.00 44.72 44.93 1fai s GLY 49 CO 0.57 2.08 -0.04 -0.47 0.00 0.00 0.00 173.10 175.24 1fai s TYR 50 N -2.25 0.32 0.01 1.90 5.04 0.75 -0.99 117.35 122.13 1fai s TYR 50 Ca 0.20 -0.13 0.00 0.00 -2.44 0.00 0.00 57.07 54.70 1fai s TYR 50 Cb 0.03 -0.21 -0.01 0.00 0.35 0.00 0.00 41.96 42.13 1fai s TYR 50 CO -0.03 -0.03 -0.02 -1.50 -1.34 0.00 0.00 175.55 172.64 1fai s ILE 51 N -0.30 0.09 -0.23 3.14 2.07 -0.39 -1.74 121.20 123.84 1fai s ILE 51 Ca -0.01 -0.32 0.00 0.00 -1.41 0.00 0.00 60.65 58.91 1fai s ILE 51 Cb -0.03 -0.13 0.03 0.00 0.13 0.00 0.00 42.46 42.46 1fai s ILE 51 CO -0.00 -0.14 -0.11 0.21 -1.91 0.00 0.00 174.94 172.99 1fai s ASN 52 N -0.48 4.05 0.00 4.50 3.04 -0.87 -0.49 114.94 124.69 1fai s ASN 52 Ca -0.05 -0.93 0.13 0.00 0.04 0.00 0.00 52.86 52.05 1fai s ASN 52 Cb -0.03 -1.59 0.78 0.00 -1.54 0.00 0.00 41.25 38.86 1fai s ASN 52 CO -0.00 -0.11 1.21 -2.65 -3.04 0.00 0.00 177.10 172.51 1fai n PRO 53 N 4.60 0.52 0.00 0.43 -0.02 -1.26 -3.56 135.00 135.72 1fai n PRO 53 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 1fai n PRO 53 Cb 0.47 -1.39 0.00 0.00 -0.02 0.00 0.00 33.50 32.56 1fai n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fai n GLY 54 N 0.04 -0.78 0.01 -1.23 0.00 -0.99 -4.81 105.19 97.43 1fai n GLY 54 Ca 0.10 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.15 1fai n GLY 54 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1fai n LYS 55 N 0.00 0.46 -1.04 1.61 3.00 -1.23 -5.02 118.16 115.93 1fai n LYS 55 Ca 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 58.31 58.24 1fai n LYS 55 Cb 0.38 -1.21 0.00 0.00 0.00 0.00 0.00 35.03 34.20 1fai n LYS 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1fai n GLY 56 N 2.04 1.06 3.10 3.14 0.00 -1.25 -5.09 105.19 108.20 1fai n GLY 56 Ca -0.03 -0.33 -0.25 0.00 0.00 0.00 0.00 46.02 45.42 1fai n GLY 56 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1fai s TYR 57 N -2.32 1.53 -0.03 1.61 1.51 -1.26 -5.05 117.35 113.34 1fai s TYR 57 Ca 0.00 -0.43 0.04 0.00 -1.01 0.00 0.00 57.07 55.68 1fai s TYR 57 Cb 0.00 -1.04 -0.01 0.00 -0.11 0.00 0.00 41.96 40.80 1fai s TYR 57 CO 0.00 -0.15 -0.16 -0.51 -1.11 0.00 0.00 175.55 173.62 1fai s LEU 58 N 0.09 1.96 -0.02 -1.29 1.02 -1.26 -2.06 118.68 117.12 1fai s LEU 58 Ca -0.04 -0.30 0.02 0.00 0.02 0.00 0.00 54.13 53.82 1fai s LEU 58 Cb -0.11 -0.86 0.01 0.00 0.02 0.00 0.00 46.19 45.25 1fai s LEU 58 CO 0.02 0.17 -0.05 -0.55 0.02 0.00 0.00 176.35 175.96 1fai s SER 59 N -0.17 0.73 0.07 2.29 0.15 -0.71 -5.03 113.70 111.03 1fai s SER 59 Ca 0.02 -0.11 0.09 0.00 0.70 0.00 0.00 55.95 56.65 1fai s SER 59 Cb -0.08 -0.19 -0.03 0.00 -1.71 0.00 0.00 66.02 64.01 1fai s SER 59 CO 0.00 0.02 -0.24 -0.31 1.20 0.00 0.00 173.24 173.92 1fai s TYR 60 N 0.24 2.07 0.33 3.44 1.51 -1.26 -0.18 117.35 123.50 1fai s TYR 60 Ca -0.03 -0.39 -0.29 0.00 -1.01 0.00 0.00 57.07 55.35 1fai s TYR 60 Cb -0.07 -1.21 -0.11 0.00 -0.11 0.00 0.00 41.96 40.47 1fai s TYR 60 CO -0.00 0.16 1.52 1.21 -1.11 0.00 0.00 175.55 177.32 1fai s ASN 61 N -1.43 6.39 0.24 2.29 2.47 0.56 -4.89 114.94 120.58 1fai s ASN 61 Ca 0.10 2.97 -0.07 0.00 0.42 0.00 0.00 52.86 56.28 1fai s ASN 61 Cb -0.10 -2.65 0.24 0.00 -1.45 0.00 0.00 41.25 37.29 1fai s ASN 61 CO 0.03 -0.86 1.92 -0.08 -3.72 0.00 0.00 177.10 174.38 1fai h GLU 62 N 3.90 1.28 0.00 0.43 4.81 -1.92 -2.12 114.58 120.95 1fai h GLU 62 Ca -0.49 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 58.66 1fai h GLU 62 Cb 1.23 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 30.33 1fai h GLU 62 CO 0.71 0.85 0.00 0.36 -0.73 0.00 0.00 179.01 180.21 1fai n LYS 63 N -4.40 0.06 -0.00 1.92 2.85 -1.26 -2.96 118.16 114.37 1fai n LYS 63 Ca 0.11 0.29 0.09 0.00 -1.05 0.00 0.00 58.31 57.75 1fai n LYS 63 Cb 0.02 -1.62 -0.12 0.00 -0.65 0.00 0.00 35.03 32.66 1fai n LYS 63 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1fai n PHE 64 N -1.74 0.00 -0.34 5.58 3.72 -0.83 -4.50 117.46 119.35 1fai n PHE 64 Ca 0.03 0.00 0.17 0.00 -0.05 0.00 0.00 57.45 57.60 1fai n PHE 64 Cb 0.20 -0.13 0.39 0.00 -0.94 0.00 0.00 39.48 39.00 1fai n PHE 64 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1fai h LYS 65 N 0.00 0.59 -0.05 -1.08 1.79 -1.35 -1.88 116.57 114.60 1fai h LYS 65 Ca 0.00 -0.04 0.03 0.00 -2.18 0.00 0.00 60.65 58.47 1fai h LYS 65 Cb 0.59 -0.13 -0.04 0.00 -1.58 0.00 0.00 32.23 31.06 1fai h LYS 65 CO 0.00 0.39 -0.21 0.78 -1.08 0.00 0.00 179.45 179.33 1fai h GLY 66 N 0.61 -0.27 -1.88 3.86 0.00 -1.79 -3.28 103.07 100.33 1fai h GLY 66 Ca 0.61 0.26 0.00 0.00 0.00 0.00 0.00 47.33 48.19 1fai h GLY 66 CO -0.40 -0.19 0.00 0.58 0.00 0.00 0.00 176.54 176.54 1fai n LYS 67 N -5.34 2.87 -4.56 4.80 2.85 -0.95 -4.97 118.16 112.86 1fai n LYS 67 Ca -0.04 -2.34 -0.22 0.00 -1.05 0.00 0.00 58.31 54.66 1fai n LYS 67 Cb 0.26 -1.43 -0.14 0.00 -0.65 0.00 0.00 35.03 33.07 1fai n LYS 67 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1fai s THR 68 N -1.11 1.24 -0.22 0.58 2.01 -0.75 -0.93 115.64 116.45 1fai s THR 68 Ca 0.34 -0.86 -0.02 0.00 0.31 0.00 0.00 61.69 61.46 1fai s THR 68 Cb 0.19 -1.07 0.07 0.00 0.01 0.00 0.00 72.50 71.69 1fai s THR 68 CO 0.22 0.19 0.03 -0.89 -0.69 0.00 0.00 174.62 173.49 1fai s THR 69 N -0.61 0.74 -0.20 -0.82 2.01 -0.27 -4.83 115.64 111.67 1fai s THR 69 Ca 0.05 -0.83 -0.17 0.00 0.31 0.00 0.00 61.69 61.05 1fai s THR 69 Cb -0.07 -1.28 -0.04 0.00 0.01 0.00 0.00 72.50 71.12 1fai s THR 69 CO 0.00 -0.29 0.43 -0.76 -0.69 0.00 0.00 174.62 173.31 1fai s LEU 70 N 1.74 4.15 0.32 4.42 2.01 -1.26 -0.99 118.68 129.07 1fai s LEU 70 Ca 0.00 0.56 0.03 0.00 0.01 0.00 0.00 54.13 54.73 1fai s LEU 70 Cb -0.17 -2.57 -0.04 0.00 0.01 0.00 0.00 46.19 43.42 1fai s LEU 70 CO -0.12 -0.11 0.15 0.28 1.01 0.00 0.00 176.35 177.57 1fai s THR 71 N 1.41 0.41 -0.13 5.49 -1.32 -1.10 -5.04 115.64 115.35 1fai s THR 71 Ca 0.20 -2.00 -0.14 0.00 -1.21 0.00 0.00 61.69 58.54 1fai s THR 71 Cb -0.15 -2.51 0.04 0.00 -1.51 0.00 0.00 72.50 68.37 1fai s THR 71 CO 0.08 0.00 0.38 -0.69 -2.21 0.00 0.00 174.62 172.19 1fai s VAL 72 N -3.54 0.01 -0.82 5.08 1.01 -1.26 -1.91 120.40 118.97 1fai s VAL 72 Ca 0.34 -0.06 -0.03 0.00 0.00 0.00 0.00 61.98 62.23 1fai s VAL 72 Cb 0.05 -0.56 0.20 0.00 0.00 0.00 0.00 36.38 36.07 1fai s VAL 72 CO 0.17 -0.03 0.69 -0.62 0.00 0.00 0.00 175.10 175.31 1fai s ASP 73 N -0.01 5.86 0.48 3.32 -1.08 -0.53 -4.97 116.67 119.73 1fai s ASP 73 Ca -0.02 -3.41 0.15 0.00 -0.52 0.00 0.00 52.55 48.75 1fai s ASP 73 Cb -0.03 -1.92 0.80 0.00 -1.46 0.00 0.00 42.92 40.31 1fai s ASP 73 CO 0.01 -0.26 1.37 0.03 0.52 0.00 0.00 175.17 176.84 1fai h ARG 74 N 6.43 0.00 0.00 4.34 3.08 -1.95 -0.92 114.38 125.36 1fai h ARG 74 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1fai h ARG 74 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.92 1fai h ARG 74 CO 0.81 0.00 -1.53 -1.13 -1.07 0.00 0.00 179.97 177.05 1fai n SER 75 N -2.33 0.43 -0.65 7.04 3.41 -1.26 -4.22 113.62 116.04 1fai n SER 75 Ca -0.01 -0.37 0.06 0.00 -0.26 0.00 0.00 58.87 58.29 1fai n SER 75 Cb 0.49 1.50 0.16 0.00 -0.26 0.00 0.00 64.21 66.09 1fai n SER 75 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1fai n SER 76 N -1.97 2.98 -2.06 4.04 7.64 -0.37 -4.98 113.62 118.90 1fai n SER 76 Ca -0.00 -2.06 -0.10 0.00 1.01 0.00 0.00 58.87 57.72 1fai n SER 76 Cb 0.47 -0.25 -0.02 0.00 -1.01 0.00 0.00 64.21 63.40 1fai n SER 76 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1fai n SER 77 N 0.45 -3.10 -4.91 6.43 7.64 -1.07 -4.66 113.62 114.40 1fai n SER 77 Ca 0.12 0.25 -0.32 0.00 1.01 0.00 0.00 58.87 59.93 1fai n SER 77 Cb 0.45 -2.77 -0.04 0.00 -1.01 0.00 0.00 64.21 60.84 1fai n SER 77 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1fai s THR 78 N -2.28 5.39 -0.03 0.44 2.01 -1.22 -1.29 115.64 118.66 1fai s THR 78 Ca 0.00 -0.24 0.05 0.00 0.31 0.00 0.00 61.69 61.81 1fai s THR 78 Cb 0.00 -3.59 -0.01 0.00 0.01 0.00 0.00 72.50 68.91 1fai s THR 78 CO 0.00 0.22 -0.17 0.00 -0.69 0.00 0.00 174.62 173.98 1fai s ALA 79 N -1.43 1.51 0.27 7.40 0.00 -1.10 -1.45 121.76 126.95 1fai s ALA 79 Ca 0.32 -0.71 0.11 0.00 0.00 0.00 0.00 51.96 51.68 1fai s ALA 79 Cb -0.13 -0.47 -0.05 0.00 0.00 0.00 0.00 23.12 22.48 1fai s ALA 79 CO 0.23 0.30 -0.13 0.71 0.00 0.00 0.00 175.76 176.88 1fai s TYR 80 N -0.09 2.45 -0.18 0.00 1.51 -0.80 -1.12 117.35 119.11 1fai s TYR 80 Ca -0.01 -0.29 -0.05 0.00 -1.01 0.00 0.00 57.07 55.72 1fai s TYR 80 Cb -0.10 -1.08 0.06 0.00 -0.11 0.00 0.00 41.96 40.73 1fai s TYR 80 CO 0.01 0.67 0.09 1.41 -1.11 0.00 0.00 175.55 176.62 1fai s MET 81 N -3.50 0.11 -0.32 -0.62 1.75 -0.98 -2.72 119.30 113.00 1fai s MET 81 Ca 0.30 -0.13 -0.23 0.00 -1.25 0.00 0.00 55.69 54.37 1fai s MET 81 Cb -0.06 -1.81 0.00 0.00 2.84 0.00 0.00 34.83 35.81 1fai s MET 81 CO 0.17 -0.69 0.78 -1.14 -0.65 0.00 0.00 175.02 173.49 1fai s GLN 82 N 2.12 3.90 -0.28 4.11 -0.44 -0.16 -2.28 119.66 126.63 1fai s GLN 82 Ca 0.02 0.50 -0.07 0.00 -2.50 0.00 0.00 55.36 53.31 1fai s GLN 82 Cb -0.16 -3.75 0.00 0.00 -1.64 0.00 0.00 33.01 27.46 1fai s GLN 82 CO -0.11 -0.73 0.07 -0.51 0.50 0.00 0.00 175.29 174.51 1fai s LEU 83 N 2.99 3.70 0.28 3.68 1.43 0.10 -1.11 118.68 129.76 1fai s LEU 83 Ca 0.32 -0.61 0.08 0.00 -1.03 0.00 0.00 54.13 52.89 1fai s LEU 83 Cb -0.14 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 1fai s LEU 83 CO 0.14 -0.15 0.13 0.00 0.23 0.00 0.00 176.35 176.69 1fai s ARG 84 N 1.51 2.60 -1.17 1.70 1.70 -0.11 -1.86 118.95 123.32 1fai s ARG 84 Ca 0.03 -1.28 -0.09 0.00 -0.47 0.00 0.00 55.73 53.92 1fai s ARG 84 Cb -0.17 -2.35 -0.02 0.00 -0.57 0.00 0.00 34.95 31.84 1fai s ARG 84 CO 0.02 0.31 0.81 0.43 -1.08 0.00 0.00 175.30 175.79 1fai n SER 85 N -1.10 -4.27 -4.61 -2.89 7.64 -0.68 -4.82 113.62 102.89 1fai n SER 85 Ca -0.06 -0.85 -0.43 0.00 1.01 0.00 0.00 58.87 58.54 1fai n SER 85 Cb 0.59 -4.18 -0.03 0.00 -1.01 0.00 0.00 64.21 59.59 1fai n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1fai s LEU 86 N -6.22 3.70 0.00 -3.43 1.02 -0.87 -4.66 118.68 108.22 1fai s LEU 86 Ca 0.31 1.53 0.01 0.00 0.02 0.00 0.00 54.13 56.00 1fai s LEU 86 Cb -0.08 -3.53 0.02 0.00 0.02 0.00 0.00 46.19 42.62 1fai s LEU 86 CO 0.81 -1.51 0.13 0.35 0.02 0.00 0.00 176.35 176.15 1fai n THR 87 N 6.95 0.00 -0.03 5.49 -2.24 -1.26 0.18 114.28 123.37 1fai n THR 87 Ca 0.21 -0.31 -0.12 0.00 -2.27 0.00 0.00 64.05 61.57 1fai n THR 87 Cb 0.46 -0.94 -0.06 0.00 -2.10 0.00 0.00 70.33 67.68 1fai n THR 87 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1fai h SER 88 N 0.01 0.18 0.07 3.42 4.64 -1.96 -3.23 113.55 116.68 1fai h SER 88 Ca -0.04 -0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1fai h SER 88 Cb 0.20 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1fai h SER 88 CO 0.06 0.38 0.00 -0.62 -0.87 0.00 0.00 176.83 175.78 1fai n GLU 89 N -4.85 0.13 0.00 4.77 4.71 -1.26 -2.31 120.64 121.84 1fai n GLU 89 Ca -0.06 0.61 0.14 0.00 -0.01 0.00 0.00 57.16 57.85 1fai n GLU 89 Cb 0.16 -1.92 0.67 0.00 -1.01 0.00 0.00 31.44 29.35 1fai n GLU 89 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1fai n ASP 90 N -2.20 0.18 -4.63 1.62 8.00 -1.22 -4.85 116.55 113.45 1fai n ASP 90 Ca -0.01 -0.22 -0.43 0.00 0.71 0.00 0.00 54.79 54.84 1fai n ASP 90 Cb 0.05 -0.21 -0.02 0.00 -0.02 0.00 0.00 41.12 40.91 1fai n ASP 90 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fai s ALA 91 N -2.61 3.30 0.00 2.24 0.00 -0.98 -4.88 121.76 118.84 1fai s ALA 91 Ca 0.26 0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.33 1fai s ALA 91 Cb 0.20 -3.81 0.00 0.00 0.00 0.00 0.00 23.12 19.51 1fai s ALA 91 CO 0.48 -1.89 0.00 0.00 0.00 0.00 0.00 175.76 174.35 1fai n ALA 92 N 7.91 0.00 -3.58 0.00 0.00 -0.87 -4.78 120.51 119.18 1fai n ALA 92 Ca 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.47 1fai n ALA 92 Cb 0.47 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.79 1fai n ALA 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1fai s VAL 93 N 0.28 -0.03 -0.26 0.00 1.01 -1.08 -3.77 120.40 116.55 1fai s VAL 93 Ca 0.00 0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.12 1fai s VAL 93 Cb 0.00 -0.38 0.06 0.00 0.00 0.00 0.00 36.38 36.06 1fai s VAL 93 CO 0.00 0.05 -0.10 -0.31 0.00 0.00 0.00 175.10 174.73 1fai s TYR 94 N 1.00 3.12 -0.16 5.22 1.51 0.58 -0.58 117.35 128.03 1fai s TYR 94 Ca -0.07 -2.23 -0.13 0.00 -1.01 0.00 0.00 57.07 53.64 1fai s TYR 94 Cb -0.08 -1.87 -0.05 0.00 -0.11 0.00 0.00 41.96 39.85 1fai s TYR 94 CO -0.07 -0.86 0.25 -0.06 -1.11 0.00 0.00 175.55 173.70 1fai s PHE 95 N 1.15 3.47 0.45 2.71 0.40 -0.20 -2.08 117.98 123.88 1fai s PHE 95 Ca -0.08 0.54 -0.03 0.00 -0.60 0.00 0.00 56.93 56.76 1fai s PHE 95 Cb -0.20 -2.27 -0.03 0.00 0.51 0.00 0.00 43.02 41.03 1fai s PHE 95 CO -0.05 0.29 0.71 0.00 0.70 0.00 0.00 175.22 176.87 1fai s ALA 97 N -2.61 -1.23 -0.05 0.00 0.00 -0.50 -0.93 121.76 116.44 1fai s ALA 97 Ca 0.46 1.46 -0.30 0.00 0.00 0.00 0.00 51.96 53.58 1fai s ALA 97 Cb -0.10 -1.44 -0.05 0.00 0.00 0.00 0.00 23.12 21.54 1fai s ALA 97 CO 0.41 -0.87 1.46 0.50 0.00 0.00 0.00 175.76 177.26 1fai s ARG 98 N 2.63 4.24 0.73 0.00 3.00 -0.43 -1.22 118.95 127.90 1fai s ARG 98 Ca 0.01 1.99 -0.11 0.00 -1.00 0.00 0.00 55.73 56.62 1fai s ARG 98 Cb -0.13 -3.74 0.03 0.00 0.00 0.00 0.00 34.95 31.11 1fai s ARG 98 CO -0.14 -0.69 1.08 -1.12 0.00 0.00 0.00 175.30 174.43 1fai s SER 99 N 2.37 4.96 0.48 -2.12 0.01 0.24 -1.39 113.70 118.24 1fai s SER 99 Ca 0.65 1.72 -0.08 0.00 1.31 0.00 0.00 55.95 59.55 1fai s SER 99 Cb -0.30 -2.51 -0.05 0.00 0.21 0.00 0.00 66.02 63.37 1fai s SER 99 CO 0.25 -1.73 0.83 0.12 0.41 0.00 0.00 173.24 173.13 1fai s PHE 100 N -2.96 3.54 -0.88 2.43 5.36 -0.54 -4.49 117.98 120.44 1fai s PHE 100 Ca 0.60 1.00 -0.25 0.00 -0.96 0.00 0.00 56.93 57.32 1fai s PHE 100 Cb -0.16 -2.45 -0.11 0.00 -0.34 0.00 0.00 43.02 39.97 1fai s PHE 100 CO 0.55 -0.30 2.19 -0.47 -1.46 0.00 0.00 175.22 175.73 1fai s TYR 101 N -2.70 1.44 0.00 10.12 5.04 -1.26 -4.26 117.35 125.73 1fai s TYR 101 Ca 0.51 1.43 0.00 0.00 -2.44 0.00 0.00 57.07 56.56 1fai s TYR 101 Cb -0.10 -3.69 0.00 0.00 0.35 0.00 0.00 41.96 38.52 1fai s TYR 101 CO 0.42 -1.54 0.00 0.41 -1.34 0.00 0.00 175.55 173.49 1fai n GLY 102 N 6.73 0.52 0.00 8.97 0.00 -1.26 -5.08 105.19 115.07 1fai n GLY 102 Ca 0.44 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.58 1fai n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fai n GLY 103 N 0.00 2.70 3.15 -0.02 0.00 -1.25 -5.09 105.19 104.68 1fai n GLY 103 Ca 0.00 0.07 0.05 0.00 0.00 0.00 0.00 46.02 46.13 1fai n GLY 103 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1fai s SER 104 N 2.00 -0.95 0.00 1.61 0.01 -1.26 -4.38 113.70 110.73 1fai s SER 104 Ca 0.00 0.46 0.00 0.00 1.31 0.00 0.00 55.95 57.72 1fai s SER 104 Cb 0.00 1.74 0.00 0.00 0.21 0.00 0.00 66.02 67.97 1fai s SER 104 CO 0.00 -0.18 0.00 -0.67 0.41 0.00 0.00 173.24 172.80 1fai n ASP 105 N 5.41 0.00 -4.53 2.44 -0.08 -1.26 -5.00 116.55 113.53 1fai n ASP 105 Ca -0.01 0.00 -0.31 0.00 -1.51 0.00 0.00 54.79 52.95 1fai n ASP 105 Cb 0.53 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.94 1fai n ASP 105 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1fai n LEU 106 N 0.00 3.47 0.00 -2.67 -0.00 -1.26 -4.72 117.00 111.82 1fai n LEU 106 Ca 0.00 -3.30 0.00 0.00 -0.00 0.00 0.00 56.01 52.71 1fai n LEU 106 Cb 0.00 -1.72 0.00 0.00 -0.00 0.00 0.00 43.42 41.70 1fai n LEU 106 CO 0.00 -1.41 0.00 0.00 -0.00 0.00 0.00 177.39 175.98 1fai n ALA 107 N 13.04 0.00 -0.87 1.47 0.00 -1.26 -4.80 120.51 128.10 1fai n ALA 107 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1fai n ALA 107 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 1fai n ALA 107 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1fai n VAL 108 N 0.00 0.00 -3.49 0.00 0.31 -1.26 -4.13 118.33 109.76 1fai n VAL 108 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.23 1fai n VAL 108 Cb 0.00 -0.69 -0.02 0.00 -0.91 0.00 0.00 33.84 32.22 1fai n VAL 108 CO 0.00 0.00 0.00 -0.72 -1.32 0.00 0.00 176.83 174.79 1fai s TYR 109 N -1.29 -0.42 0.07 3.52 1.13 -1.26 -3.90 117.35 115.20 1fai s TYR 109 Ca 0.00 0.23 -0.26 0.00 -1.41 0.00 0.00 57.07 55.63 1fai s TYR 109 Cb 0.00 0.56 0.07 0.00 -1.10 0.00 0.00 41.96 41.49 1fai s TYR 109 CO 0.00 -0.74 0.65 1.52 -2.51 0.00 0.00 175.55 174.47 1fai s TYR 110 N -3.47 -0.57 -0.83 -3.49 -0.85 -1.26 -4.91 117.35 101.97 1fai s TYR 110 Ca 0.04 0.60 -0.21 0.00 -0.52 0.00 0.00 57.07 56.97 1fai s TYR 110 Cb -0.01 0.51 0.09 0.00 0.38 0.00 0.00 41.96 42.92 1fai s TYR 110 CO -0.10 -0.74 1.12 -0.06 -1.52 0.00 0.00 175.55 174.25 1fai s PHE 111 N -2.80 2.82 -1.06 -3.49 0.08 -1.26 -1.47 117.98 110.79 1fai s PHE 111 Ca -0.03 -0.92 0.13 0.00 0.12 0.00 0.00 56.93 56.23 1fai s PHE 111 Cb -0.01 -4.37 0.56 0.00 -0.57 0.00 0.00 43.02 38.63 1fai s PHE 111 CO -0.05 -1.65 1.41 -0.40 -0.10 0.00 0.00 175.22 174.43 1fai n ASP 112 N 7.50 3.87 -3.15 1.36 5.75 -0.49 -4.76 116.55 126.62 1fai n ASP 112 Ca 0.14 -2.41 0.05 0.00 -0.01 0.00 0.00 54.79 52.55 1fai n ASP 112 Cb 0.48 -0.53 -0.00 0.00 -1.03 0.00 0.00 41.12 40.03 1fai n ASP 112 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1fai s SER 113 N -0.74 -0.56 0.21 -1.12 0.15 -1.23 -4.97 113.70 105.46 1fai s SER 113 Ca 0.39 0.14 0.01 0.00 0.70 0.00 0.00 55.95 57.19 1fai s SER 113 Cb 0.26 1.38 -0.04 0.00 -1.71 0.00 0.00 66.02 65.91 1fai s SER 113 CO 0.17 -0.10 0.38 0.26 1.20 0.00 0.00 173.24 175.15 1fai s TRP 114 N 2.94 3.48 0.74 3.44 0.52 -1.26 -1.31 118.94 127.49 1fai s TRP 114 Ca 0.18 0.24 -0.09 0.00 0.02 0.00 0.00 56.10 56.45 1fai s TRP 114 Cb -0.05 -1.77 0.06 0.00 -1.15 0.00 0.00 33.47 30.56 1fai s TRP 114 CO -0.20 0.39 1.08 0.20 0.02 0.00 0.00 176.95 178.44 1fai s GLY 115 N -3.41 1.64 0.37 0.98 0.00 -0.11 -4.60 107.32 102.19 1fai s GLY 115 Ca 0.37 -0.78 0.27 0.00 0.00 0.00 0.00 44.72 44.58 1fai s GLY 115 CO 0.30 -0.35 1.81 0.06 0.00 0.00 0.00 173.10 174.92 1fai h GLN 116 N -0.76 0.00 0.00 2.90 -0.00 -1.91 -3.45 115.11 111.89 1fai h GLN 116 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.20 1fai h GLN 116 Cb 1.32 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.80 1fai h GLN 116 CO 0.63 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.87 1fai n GLY 117 N 0.08 2.41 2.87 0.06 0.00 -1.26 -5.06 105.19 104.29 1fai n GLY 117 Ca 0.02 -1.68 -0.21 0.00 0.00 0.00 0.00 46.02 44.15 1fai n GLY 117 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fai s THR 118 N -1.67 0.54 0.23 2.61 2.01 -0.88 -4.85 115.64 113.63 1fai s THR 118 Ca 0.00 -0.09 -0.11 0.00 0.31 0.00 0.00 61.69 61.80 1fai s THR 118 Cb 0.00 -0.59 -0.07 0.00 0.01 0.00 0.00 72.50 71.85 1fai s THR 118 CO 0.00 0.24 0.57 -0.89 -0.69 0.00 0.00 174.62 173.85 1fai s THR 119 N 1.16 4.89 -0.27 -0.82 2.01 -1.26 -0.31 115.64 121.04 1fai s THR 119 Ca -0.07 0.58 0.00 0.00 0.31 0.00 0.00 61.69 62.51 1fai s THR 119 Cb -0.14 -3.63 0.15 0.00 0.01 0.00 0.00 72.50 68.89 1fai s THR 119 CO -0.01 -0.04 0.42 -0.22 -0.69 0.00 0.00 174.62 174.08 1fai s LEU 120 N -2.72 -0.82 -0.07 4.42 2.96 -1.25 -2.95 118.68 118.25 1fai s LEU 120 Ca 0.47 0.00 -0.17 0.00 -0.22 0.00 0.00 54.13 54.21 1fai s LEU 120 Cb -0.12 1.25 -0.05 0.00 0.50 0.00 0.00 46.19 47.78 1fai s LEU 120 CO 0.20 -0.32 0.47 -0.89 -1.32 0.00 0.00 176.35 174.49 1fai s THR 121 N 2.59 5.10 -0.27 3.68 2.01 -1.21 -2.05 115.64 125.49 1fai s THR 121 Ca 0.12 0.95 0.03 0.00 0.31 0.00 0.00 61.69 63.09 1fai s THR 121 Cb -0.14 -3.80 0.07 0.00 0.01 0.00 0.00 72.50 68.64 1fai s THR 121 CO -0.23 0.42 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.34 1fai s VAL 122 N -0.02 2.09 -0.06 3.82 1.01 -1.26 -2.21 120.40 123.77 1fai s VAL 122 Ca 0.26 -1.67 -0.03 0.00 0.00 0.00 0.00 61.98 60.54 1fai s VAL 122 Cb -0.16 -2.26 0.03 0.00 0.00 0.00 0.00 36.38 33.99 1fai s VAL 122 CO 0.12 -0.11 0.14 -0.44 0.00 0.00 0.00 175.10 174.80 1fai s SER 123 N 1.12 -0.11 -1.10 3.32 0.01 -0.56 -4.65 113.70 111.73 1fai s SER 123 Ca -0.06 0.28 -0.04 0.00 1.31 0.00 0.00 55.95 57.43 1fai s SER 123 Cb -0.20 0.20 0.29 0.00 0.21 0.00 0.00 66.02 66.52 1fai s SER 123 CO -0.06 -0.12 1.57 -1.20 0.41 0.00 0.00 173.24 173.85 1fai n SER 124 N 3.85 6.38 -3.68 2.44 7.64 -1.26 -4.23 113.62 124.76 1fai n SER 124 Ca -0.22 -3.40 -0.09 0.00 1.01 0.00 0.00 58.87 56.17 1fai n SER 124 Cb 0.54 -1.29 -0.10 0.00 -1.01 0.00 0.00 64.21 62.35 1fai n SER 124 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1fai s ALA 125 N -2.53 -1.27 0.66 -0.43 0.00 -1.26 -5.03 121.76 111.90 1fai s ALA 125 Ca 0.33 1.74 -0.11 0.00 0.00 0.00 0.00 51.96 53.91 1fai s ALA 125 Cb 0.07 -1.13 -0.01 0.00 0.00 0.00 0.00 23.12 22.04 1fai s ALA 125 CO 0.08 -0.40 1.05 -1.59 0.00 0.00 0.00 175.76 174.90 1fai s LYS 126 N 1.73 3.24 -0.46 0.00 0.00 -1.26 -4.94 119.74 118.05 1fai s LYS 126 Ca -0.08 0.72 -0.28 0.00 0.00 0.00 0.00 55.97 56.32 1fai s LYS 126 Cb -0.09 -2.04 -0.09 0.00 0.00 0.00 0.00 37.83 35.62 1fai s LYS 126 CO -0.14 -0.82 2.37 2.41 0.00 0.00 0.00 175.35 179.16 1fai n THR 127 N -2.91 0.06 -4.31 3.79 -1.04 -1.26 -4.71 114.28 103.89 1fai n THR 127 Ca 0.07 -0.56 -0.35 0.00 -2.04 0.00 0.00 64.05 61.16 1fai n THR 127 Cb 0.55 -2.35 -0.09 0.00 -1.82 0.00 0.00 70.33 66.62 1fai n THR 127 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1fai s THR 128 N 10.29 4.44 0.27 12.58 2.01 -0.99 -4.95 115.64 139.29 1fai s THR 128 Ca 1.04 -0.22 -0.03 0.00 0.31 0.00 0.00 61.69 62.79 1fai s THR 128 Cb -0.42 -2.88 -0.05 0.00 0.01 0.00 0.00 72.50 69.16 1fai s THR 128 CO 0.34 0.59 0.51 -2.84 -0.69 0.00 0.00 174.62 172.52 1fai s PRO 129 N -0.96 3.59 0.80 4.92 0.02 -1.26 -0.94 135.00 141.17 1fai s PRO 129 Ca 0.14 -0.12 -0.11 0.00 0.02 0.00 0.00 61.00 60.93 1fai s PRO 129 Cb -0.11 -2.70 0.07 0.00 0.02 0.00 0.00 34.50 31.77 1fai s PRO 129 CO 0.03 0.26 1.09 -1.25 -0.33 0.00 0.00 177.00 176.80 1fai s PRO 130 N -3.53 2.09 -0.42 5.54 0.04 -1.25 -4.60 135.00 132.87 1fai s PRO 130 Ca 0.42 0.92 0.03 0.00 0.04 0.00 0.00 61.00 62.40 1fai s PRO 130 Cb -0.11 -1.90 0.12 0.00 0.04 0.00 0.00 34.50 32.66 1fai s PRO 130 CO 0.30 -1.69 0.18 -1.12 0.04 0.00 0.00 177.00 174.71 1fai s SER 131 N -3.59 4.13 -0.92 6.66 0.01 -0.28 -4.98 113.70 114.73 1fai s SER 131 Ca 0.61 -2.47 -0.24 0.00 1.31 0.00 0.00 55.95 55.16 1fai s SER 131 Cb -0.16 -1.29 0.03 0.00 0.21 0.00 0.00 66.02 64.80 1fai s SER 131 CO 0.56 -0.31 1.52 -0.69 0.41 0.00 0.00 173.24 174.73 1fai s VAL 132 N 0.50 3.77 0.05 3.43 1.01 -1.26 -2.06 120.40 125.84 1fai s VAL 132 Ca 0.15 -0.39 -0.22 0.00 0.00 0.00 0.00 61.98 61.53 1fai s VAL 132 Cb -0.23 -4.80 -0.06 0.00 0.00 0.00 0.00 36.38 31.30 1fai s VAL 132 CO -0.06 -1.70 0.64 -0.31 0.00 0.00 0.00 175.10 173.67 1fai s TYR 133 N 6.20 3.75 -0.07 5.22 2.02 0.43 -4.98 117.35 129.93 1fai s TYR 133 Ca 0.49 1.32 -0.30 0.00 -0.37 0.00 0.00 57.07 58.21 1fai s TYR 133 Cb -0.04 -2.64 -0.03 0.00 -0.40 0.00 0.00 41.96 38.85 1fai s TYR 133 CO -0.01 0.42 1.23 -2.14 -1.57 0.00 0.00 175.55 173.47 1fai s PRO 134 N -0.52 4.33 -0.34 -1.71 0.02 -1.26 -2.07 135.00 133.45 1fai s PRO 134 Ca 0.32 1.70 -0.03 0.00 0.02 0.00 0.00 61.00 63.01 1fai s PRO 134 Cb -0.20 -3.59 0.07 0.00 0.02 0.00 0.00 34.50 30.80 1fai s PRO 134 CO 0.20 -0.49 0.08 -0.51 -0.33 0.00 0.00 177.00 175.94 1fai s LEU 135 N 2.41 4.39 0.07 -5.54 1.43 -0.02 -4.93 118.68 116.50 1fai s LEU 135 Ca 0.56 -1.49 0.07 0.00 -1.03 0.00 0.00 54.13 52.24 1fai s LEU 135 Cb -0.25 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 1fai s LEU 135 CO 0.21 -0.36 -0.20 0.00 0.23 0.00 0.00 176.35 176.23 1fai s ALA 136 N 1.24 1.69 0.05 4.21 0.00 -1.26 -0.99 121.76 126.71 1fai s ALA 136 Ca -0.00 -1.10 -0.18 0.00 0.00 0.00 0.00 51.96 50.68 1fai s ALA 136 Cb -0.21 -0.28 -0.10 0.00 0.00 0.00 0.00 23.12 22.54 1fai s ALA 136 CO -0.01 0.36 0.42 -2.30 0.00 0.00 0.00 175.76 174.22 1fai n PRO 137 N 1.55 0.00 -1.64 0.00 -0.02 -1.26 -4.90 135.00 128.73 1fai n PRO 137 Ca -0.18 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.88 1fai n PRO 137 Cb 0.54 -0.66 0.01 0.00 -0.02 0.00 0.00 33.50 33.37 1fai n PRO 137 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fai n GLY 138 N 0.92 0.06 3.74 -1.23 0.00 -1.26 -4.93 105.19 102.48 1fai n GLY 138 Ca 0.10 0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.90 1fai n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fai n GLY 140 N 2.05 0.14 3.23 0.00 0.00 -1.26 -4.98 105.19 104.36 1fai n GLY 140 Ca 0.02 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 1fai n GLY 140 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1fai s ASP 141 N -2.74 6.26 0.00 1.61 1.11 -0.90 -4.92 116.67 117.09 1fai s ASP 141 Ca 0.02 -3.00 0.00 0.00 0.18 0.00 0.00 52.55 49.74 1fai s ASP 141 Cb -0.01 -2.06 0.00 0.00 1.07 0.00 0.00 42.92 41.92 1fai s ASP 141 CO 0.02 -0.42 0.02 0.41 1.18 0.00 0.00 175.17 176.38 1fai n THR 142 N 3.43 0.00 -2.01 -1.27 -1.04 -1.26 -4.29 114.28 107.84 1fai n THR 142 Ca 0.14 -0.02 -0.15 0.00 -2.04 0.00 0.00 64.05 61.99 1fai n THR 142 Cb 0.42 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.94 1fai n THR 142 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1fai n THR 143 N 1.23 -1.53 -0.20 12.58 -2.24 -1.26 -4.98 114.28 117.88 1fai n THR 143 Ca 0.00 0.05 -0.13 0.00 -2.27 0.00 0.00 64.05 61.70 1fai n THR 143 Cb 0.01 -1.45 0.12 0.00 -2.10 0.00 0.00 70.33 66.91 1fai n THR 143 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fai n GLY 144 N 0.02 -3.64 0.35 3.38 0.00 -1.26 -4.97 105.19 99.08 1fai n GLY 144 Ca -0.03 -1.29 0.11 0.00 0.00 0.00 0.00 46.02 44.81 1fai n GLY 144 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1fai n SER 145 N -4.16 1.59 -3.53 1.61 3.41 -1.26 -4.69 113.62 106.59 1fai n SER 145 Ca 0.06 -1.24 -0.14 0.00 -0.26 0.00 0.00 58.87 57.29 1fai n SER 145 Cb 0.26 0.45 -0.04 0.00 -0.26 0.00 0.00 64.21 64.61 1fai n SER 145 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1fai s SER 146 N -2.57 -0.49 -0.09 4.04 1.04 -1.26 -3.55 113.70 110.83 1fai s SER 146 Ca 0.18 0.15 0.02 0.00 0.48 0.00 0.00 55.95 56.79 1fai s SER 146 Cb 0.18 0.53 0.01 0.00 0.10 0.00 0.00 66.02 66.84 1fai s SER 146 CO 0.60 -0.79 -0.14 -0.69 0.98 0.00 0.00 173.24 173.20 1fai s VAL 147 N -2.78 1.38 -0.17 5.02 1.01 0.17 -4.82 120.40 120.22 1fai s VAL 147 Ca -0.03 -0.60 -0.11 0.00 0.00 0.00 0.00 61.98 61.24 1fai s VAL 147 Cb -0.00 -1.26 -0.05 0.00 0.00 0.00 0.00 36.38 35.07 1fai s VAL 147 CO -0.04 0.41 0.19 0.42 0.00 0.00 0.00 175.10 176.08 1fai s THR 148 N 0.82 5.38 -0.06 3.92 -4.23 -1.26 -1.72 115.64 118.49 1fai s THR 148 Ca -0.11 0.32 0.02 0.00 -1.18 0.00 0.00 61.69 60.74 1fai s THR 148 Cb -0.15 -3.51 0.01 0.00 1.34 0.00 0.00 72.50 70.18 1fai s THR 148 CO 0.02 0.46 -0.11 -0.76 -0.54 0.00 0.00 174.62 173.68 1fai s LEU 149 N 0.11 1.62 0.05 4.79 1.43 -0.39 -4.51 118.68 121.78 1fai s LEU 149 Ca 0.12 -0.28 0.04 0.00 -1.03 0.00 0.00 54.13 52.99 1fai s LEU 149 Cb -0.12 -0.78 -0.03 0.00 0.03 0.00 0.00 46.19 45.30 1fai s LEU 149 CO 0.01 0.03 -0.12 -0.83 0.23 0.00 0.00 176.35 175.67 1fai s GLY 150 N 0.66 0.73 -0.29 -3.19 0.00 -0.16 -0.48 107.32 104.60 1fai s GLY 150 Ca -0.14 -0.87 -0.08 0.00 0.00 0.00 0.00 44.72 43.63 1fai s GLY 150 CO 0.03 -0.89 0.10 0.00 0.00 0.00 0.00 173.10 172.34 1fai s LEU 152 N 1.57 4.45 -0.62 0.00 2.96 -0.88 -2.81 118.68 123.35 1fai s LEU 152 Ca 0.04 1.46 0.06 0.00 -0.22 0.00 0.00 54.13 55.47 1fai s LEU 152 Cb -0.16 -3.25 0.23 0.00 0.50 0.00 0.00 46.19 43.50 1fai s LEU 152 CO 0.04 0.01 0.64 0.52 -1.32 0.00 0.00 176.35 176.23 1fai n VAL 153 N 2.84 1.66 -2.08 1.68 0.31 -1.00 -0.43 118.33 121.31 1fai n VAL 153 Ca -0.02 -4.91 -0.38 0.00 -0.01 0.00 0.00 64.34 59.02 1fai n VAL 153 Cb 0.50 -2.08 0.01 0.00 -0.91 0.00 0.00 33.84 31.35 1fai n VAL 153 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1fai s LYS 154 N -1.95 3.61 0.11 5.55 2.20 -0.87 -3.15 119.74 125.24 1fai s LYS 154 Ca 0.35 1.97 0.00 0.00 -0.36 0.00 0.00 55.97 57.94 1fai s LYS 154 Cb 0.10 -2.43 0.00 0.00 -1.51 0.00 0.00 37.83 33.99 1fai s LYS 154 CO -0.07 -0.73 0.00 0.41 -0.36 0.00 0.00 175.35 174.60 1fai n GLY 155 N 0.57 -1.94 3.62 5.54 0.00 -0.97 -1.13 105.19 110.89 1fai n GLY 155 Ca 0.08 -0.10 0.01 0.00 0.00 0.00 0.00 46.02 46.01 1fai n GLY 155 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1fai s TYR 156 N -0.68 -0.05 -0.25 1.61 1.13 -1.15 -3.75 117.35 114.21 1fai s TYR 156 Ca 0.00 -0.07 -0.26 0.00 -1.41 0.00 0.00 57.07 55.33 1fai s TYR 156 Cb 0.00 0.55 0.13 0.00 -1.10 0.00 0.00 41.96 41.54 1fai s TYR 156 CO 0.00 -0.30 1.08 0.12 -2.51 0.00 0.00 175.55 173.94 1fai s PHE 157 N -2.46 -0.39 0.00 -3.49 2.19 -0.11 -1.95 117.98 111.77 1fai s PHE 157 Ca 0.14 0.88 0.00 0.00 0.33 0.00 0.00 56.93 58.28 1fai s PHE 157 Cb 0.05 0.40 0.00 0.00 -1.31 0.00 0.00 43.02 42.16 1fai s PHE 157 CO -0.04 -0.23 0.00 -0.35 1.83 0.00 0.00 175.22 176.44 1fai n PRO 158 N 1.72 1.71 0.00 10.12 -0.04 -1.26 -2.33 135.00 144.92 1fai n PRO 158 Ca -0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 1fai n PRO 158 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 1fai n PRO 158 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1fai n GLU 159 N 0.00 2.75 -3.05 0.54 -0.58 -1.26 -4.81 120.64 114.22 1fai n GLU 159 Ca 0.00 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.62 1fai n GLU 159 Cb 0.00 0.00 0.06 0.00 -0.57 0.00 0.00 31.44 30.93 1fai n GLU 159 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1fai n SER 160 N 0.00 -6.33 -4.87 1.62 7.64 -1.26 -4.90 113.62 105.52 1fai n SER 160 Ca 0.00 -0.57 -0.34 0.00 1.01 0.00 0.00 58.87 58.97 1fai n SER 160 Cb 0.00 -4.77 -0.05 0.00 -1.01 0.00 0.00 64.21 58.38 1fai n SER 160 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1fai s VAL 161 N -3.31 5.11 0.20 0.44 1.01 -1.26 -4.16 120.40 118.43 1fai s VAL 161 Ca 0.36 0.37 0.09 0.00 0.00 0.00 0.00 61.98 62.80 1fai s VAL 161 Cb -0.05 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 1fai s VAL 161 CO 0.67 0.24 -0.05 -0.89 0.00 0.00 0.00 175.10 175.07 1fai s THR 162 N -1.45 3.37 0.01 3.92 2.01 -1.23 -4.94 115.64 117.33 1fai s THR 162 Ca 0.34 -1.66 0.02 0.00 0.31 0.00 0.00 61.69 60.70 1fai s THR 162 Cb -0.13 -2.71 -0.01 0.00 0.01 0.00 0.00 72.50 69.66 1fai s THR 162 CO 0.19 -0.17 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.21 1fai s VAL 163 N -1.85 0.39 -0.28 3.82 1.01 -1.25 -2.62 120.40 119.61 1fai s VAL 163 Ca 0.27 -0.51 -0.05 0.00 0.00 0.00 0.00 61.98 61.68 1fai s VAL 163 Cb -0.08 -0.39 0.15 0.00 0.00 0.00 0.00 36.38 36.06 1fai s VAL 163 CO 0.17 -0.09 0.58 -0.89 0.00 0.00 0.00 175.10 174.86 1fai s THR 164 N -0.59 -0.92 -0.04 3.92 2.01 -1.05 -4.91 115.64 114.06 1fai s THR 164 Ca -0.03 0.01 -0.22 0.00 0.31 0.00 0.00 61.69 61.76 1fai s THR 164 Cb -0.05 -0.94 -0.05 0.00 0.01 0.00 0.00 72.50 71.47 1fai s THR 164 CO -0.00 -0.00 0.64 0.26 -0.69 0.00 0.00 174.62 174.82 1fai s TRP 165 N 2.82 3.62 -1.53 4.92 0.52 -1.26 -0.11 118.94 127.92 1fai s TRP 165 Ca 0.07 1.20 -0.11 0.00 0.02 0.00 0.00 56.10 57.28 1fai s TRP 165 Cb -0.14 -2.70 0.08 0.00 -1.15 0.00 0.00 33.47 29.57 1fai s TRP 165 CO -0.19 0.21 0.81 0.09 0.02 0.00 0.00 176.95 177.90 1fai n ASN 166 N 3.29 -3.26 -2.68 2.95 4.13 0.52 -2.51 115.26 117.69 1fai n ASN 166 Ca -0.04 -0.88 -0.12 0.00 1.68 0.00 0.00 54.58 55.22 1fai n ASN 166 Cb 0.51 -3.48 -0.01 0.00 -1.54 0.00 0.00 39.78 35.26 1fai n ASN 166 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1fai n SER 167 N -2.84 -3.04 -0.30 6.41 7.64 -1.26 -4.12 113.62 116.11 1fai n SER 167 Ca -0.05 0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.97 1fai n SER 167 Cb 0.56 -2.61 0.00 0.00 -1.01 0.00 0.00 64.21 61.15 1fai n SER 167 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1fai n GLY 168 N -0.80 -0.34 0.45 0.23 0.00 -1.04 -5.09 105.19 98.60 1fai n GLY 168 Ca -0.08 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1fai n GLY 168 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1fai n SER 169 N 0.00 0.00 -3.26 1.61 3.41 -1.23 -5.01 113.62 109.14 1fai n SER 169 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.24 1fai n SER 169 Cb 0.00 0.11 -0.01 0.00 -0.26 0.00 0.00 64.21 64.05 1fai n SER 169 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1fai n LEU 170 N -2.06 7.65 0.21 1.04 4.77 -1.26 -4.74 117.00 122.62 1fai n LEU 170 Ca 0.00 -4.75 0.07 0.00 -0.03 0.00 0.00 56.01 51.30 1fai n LEU 170 Cb 0.00 -1.31 0.48 0.00 -2.33 0.00 0.00 43.42 40.26 1fai n LEU 170 CO 0.00 1.99 0.81 0.28 -1.33 0.00 0.00 177.39 179.13 1fai h SER 171 N 4.19 0.00 -5.85 -1.43 0.02 -1.95 -3.39 113.55 105.14 1fai h SER 171 Ca 0.62 0.00 -0.40 0.00 -0.84 0.00 0.00 61.79 61.18 1fai h SER 171 Cb 0.39 0.00 0.04 0.00 0.14 0.00 0.00 62.40 62.97 1fai h SER 171 CO 1.32 0.27 -0.01 -1.54 -1.14 0.00 0.00 176.83 175.73 1fai n SER 172 N -3.81 1.56 0.00 3.07 3.41 -1.26 -4.60 113.62 111.99 1fai n SER 172 Ca -0.01 -2.17 0.00 0.00 -0.26 0.00 0.00 58.87 56.42 1fai n SER 172 Cb 0.37 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 1fai n SER 172 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1fai n SER 173 N -2.59 0.00 -4.77 4.04 7.64 -1.26 -4.85 113.62 111.83 1fai n SER 173 Ca 0.14 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.66 1fai n SER 173 Cb 0.49 -0.86 -0.07 0.00 -1.01 0.00 0.00 64.21 62.76 1fai n SER 173 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1fai s VAL 174 N -1.23 5.43 -0.12 0.44 -7.23 -1.26 -2.40 120.40 114.03 1fai s VAL 174 Ca 0.00 0.21 -0.00 0.00 -1.81 0.00 0.00 61.98 60.38 1fai s VAL 174 Cb 0.00 -3.46 0.02 0.00 0.56 0.00 0.00 36.38 33.50 1fai s VAL 174 CO 0.00 0.49 -0.10 -1.00 -0.31 0.00 0.00 175.10 174.18 1fai s HIS 175 N -0.01 1.69 -0.66 2.82 3.76 -1.02 -4.93 115.29 116.94 1fai s HIS 175 Ca 0.10 -0.88 -0.20 0.00 -0.15 0.00 0.00 55.06 53.93 1fai s HIS 175 Cb -0.11 -1.34 0.10 0.00 1.11 0.00 0.00 32.58 32.33 1fai s HIS 175 CO -0.00 -0.56 0.86 0.99 -0.85 0.00 0.00 174.74 175.18 1fai s THR 176 N 1.64 4.62 0.10 1.30 2.01 -1.26 -1.41 115.64 122.64 1fai s THR 176 Ca 0.05 -0.84 -0.30 0.00 0.31 0.00 0.00 61.69 60.91 1fai s THR 176 Cb -0.13 -4.60 -0.06 0.00 0.01 0.00 0.00 72.50 67.72 1fai s THR 176 CO -0.09 -1.31 1.18 -0.36 -0.69 0.00 0.00 174.62 173.35 1fai s PHE 177 N 3.19 3.47 0.47 4.92 0.40 -0.78 -4.96 117.98 124.69 1fai s PHE 177 Ca 0.18 1.38 -0.24 0.00 -0.60 0.00 0.00 56.93 57.66 1fai s PHE 177 Cb -0.19 -3.39 -0.07 0.00 0.51 0.00 0.00 43.02 39.88 1fai s PHE 177 CO 0.06 -1.13 1.28 -1.25 0.70 0.00 0.00 175.22 174.88 1fai s PRO 178 N 0.60 3.62 0.61 0.24 0.04 -1.26 -3.93 135.00 134.92 1fai s PRO 178 Ca 0.56 2.07 -0.18 0.00 0.04 0.00 0.00 61.00 63.49 1fai s PRO 178 Cb -0.30 -2.48 -0.03 0.00 0.04 0.00 0.00 34.50 31.74 1fai s PRO 178 CO 0.31 -0.75 1.19 0.00 0.04 0.00 0.00 177.00 177.80 1fai s ALA 179 N -1.36 2.50 -0.23 8.56 0.00 -1.26 -4.85 121.76 125.13 1fai s ALA 179 Ca 0.64 0.95 -0.03 0.00 0.00 0.00 0.00 51.96 53.51 1fai s ALA 179 Cb -0.36 -3.44 0.12 0.00 0.00 0.00 0.00 23.12 19.44 1fai s ALA 179 CO 0.44 -1.22 0.30 -0.48 0.00 0.00 0.00 175.76 174.81 1fai s LEU 180 N -4.23 -0.38 -0.14 0.00 2.34 -0.83 -4.90 118.68 110.54 1fai s LEU 180 Ca 0.76 -0.02 -0.30 0.00 0.06 0.00 0.00 54.13 54.63 1fai s LEU 180 Cb -0.29 0.76 -0.08 0.00 -0.56 0.00 0.00 46.19 46.02 1fai s LEU 180 CO 0.34 -0.32 2.10 0.00 -1.06 0.00 0.00 176.35 177.42 1fai n LEU 181 N 5.34 3.43 0.00 1.48 -0.00 -1.26 -4.03 117.00 121.97 1fai n LEU 181 Ca -0.04 0.54 0.00 0.00 -0.00 0.00 0.00 56.01 56.51 1fai n LEU 181 Cb 0.50 -1.49 0.00 0.00 -0.00 0.00 0.00 43.42 42.43 1fai n LEU 181 CO 0.07 -0.34 0.00 0.00 -0.00 0.00 0.00 177.39 177.12 1fai n GLN 182 N 8.04 0.00 -3.33 1.47 6.02 -0.78 -4.84 117.38 123.97 1fai n GLN 182 Ca 0.27 0.00 -0.46 0.00 -0.01 0.00 0.00 57.00 56.80 1fai n GLN 182 Cb 0.39 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.60 1fai n GLN 182 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1fai s SER 183 N -1.07 6.26 0.00 1.08 0.01 -1.26 -4.68 113.70 114.04 1fai s SER 183 Ca 0.00 -1.94 0.00 0.00 1.31 0.00 0.00 55.95 55.32 1fai s SER 183 Cb 0.00 -2.20 0.00 0.00 0.21 0.00 0.00 66.02 64.03 1fai s SER 183 CO 0.00 -0.80 0.00 0.00 0.41 0.00 0.00 173.24 172.85 1fai n ALA 184 N 5.02 0.00 -1.73 1.44 0.00 -1.26 -4.91 120.51 119.07 1fai n ALA 184 Ca -0.09 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.95 1fai n ALA 184 Cb 0.41 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.83 1fai n ALA 184 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1fai s LEU 185 N 0.00 3.42 1.12 0.00 0.05 -1.26 -4.85 118.68 117.16 1fai s LEU 185 Ca 0.00 1.27 -0.12 0.00 0.05 0.00 0.00 54.13 55.33 1fai s LEU 185 Cb 0.00 -3.03 0.26 0.00 -2.05 0.00 0.00 46.19 41.37 1fai s LEU 185 CO 0.00 -2.29 1.05 -0.31 -0.55 0.00 0.00 176.35 174.25 1fai s TYR 186 N 9.47 1.36 -0.28 3.48 2.02 -0.82 -1.87 117.35 130.71 1fai s TYR 186 Ca 0.91 1.32 -0.24 0.00 -0.37 0.00 0.00 57.07 58.69 1fai s TYR 186 Cb -0.22 -3.14 0.10 0.00 -0.40 0.00 0.00 41.96 38.30 1fai s TYR 186 CO 0.30 -3.73 0.91 0.99 -1.57 0.00 0.00 175.55 172.45 1fai s THR 187 N -2.47 0.00 0.31 -0.71 2.01 -1.26 -2.29 115.64 111.24 1fai s THR 187 Ca 0.68 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 62.65 1fai s THR 187 Cb -0.25 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.26 1fai s THR 187 CO 0.64 0.00 0.42 -0.32 -0.69 0.00 0.00 174.62 174.67 1fai s MET 188 N 0.45 1.77 0.07 4.92 1.75 -1.19 -1.96 119.30 125.11 1fai s MET 188 Ca 0.00 -1.69 -0.26 0.00 -1.25 0.00 0.00 55.69 52.49 1fai s MET 188 Cb -0.05 0.42 0.08 0.00 2.84 0.00 0.00 34.83 38.12 1fai s MET 188 CO -0.05 -0.72 0.68 -1.12 -0.65 0.00 0.00 175.02 173.16 1fai s SER 189 N -3.21 -0.56 -0.13 1.11 0.01 -1.25 -2.37 113.70 107.30 1fai s SER 189 Ca 0.31 0.21 -0.15 0.00 1.31 0.00 0.00 55.95 57.63 1fai s SER 189 Cb 0.01 0.54 0.04 0.00 0.21 0.00 0.00 66.02 66.82 1fai s SER 189 CO 0.18 -0.80 0.41 -0.55 0.41 0.00 0.00 173.24 172.90 1fai s SER 190 N -2.22 -0.41 0.33 2.44 0.15 -1.12 -1.86 113.70 111.01 1fai s SER 190 Ca -0.02 0.72 0.10 0.00 0.70 0.00 0.00 55.95 57.45 1fai s SER 190 Cb -0.01 0.76 -0.06 0.00 -1.71 0.00 0.00 66.02 65.00 1fai s SER 190 CO -0.06 -0.21 -0.11 -0.94 1.20 0.00 0.00 173.24 173.12 1fai s SER 191 N -0.08 3.67 -0.01 5.45 1.04 -0.50 -0.94 113.70 122.34 1fai s SER 191 Ca -0.03 -1.17 -0.00 0.00 0.48 0.00 0.00 55.95 55.24 1fai s SER 191 Cb -0.03 -0.33 0.00 0.00 0.10 0.00 0.00 66.02 65.76 1fai s SER 191 CO 0.02 -0.16 0.01 0.54 0.98 0.00 0.00 173.24 174.63 1fai s VAL 192 N -2.60 -0.01 -0.08 5.02 0.11 0.37 -2.42 120.40 120.79 1fai s VAL 192 Ca 0.32 0.02 0.04 0.00 -2.93 0.00 0.00 61.98 59.43 1fai s VAL 192 Cb 0.01 -0.03 0.00 0.00 -1.53 0.00 0.00 36.38 34.83 1fai s VAL 192 CO 0.16 0.01 -0.20 -0.89 -3.33 0.00 0.00 175.10 170.85 1fai s THR 193 N 0.11 1.70 0.06 5.04 2.01 -1.01 -1.26 115.64 122.28 1fai s THR 193 Ca -0.01 -0.82 0.01 0.00 0.31 0.00 0.00 61.69 61.19 1fai s THR 193 Cb -0.01 -1.48 -0.03 0.00 0.01 0.00 0.00 72.50 70.99 1fai s THR 193 CO -0.00 0.48 -0.06 0.68 -0.69 0.00 0.00 174.62 175.02 1fai s VAL 194 N 0.38 0.49 1.00 3.82 -7.23 -0.70 -4.83 120.40 113.32 1fai s VAL 194 Ca -0.15 -1.43 -0.12 0.00 -1.81 0.00 0.00 61.98 58.48 1fai s VAL 194 Cb -0.16 -1.03 0.19 0.00 0.56 0.00 0.00 36.38 35.94 1fai s VAL 194 CO 0.06 -0.64 1.08 -2.16 -0.31 0.00 0.00 175.10 173.14 1fai s PRO 195 N -2.59 0.42 0.59 4.82 0.04 -1.26 0.46 135.00 137.47 1fai s PRO 195 Ca -0.02 1.03 0.35 0.00 0.04 0.00 0.00 61.00 62.40 1fai s PRO 195 Cb -0.03 -1.70 1.87 0.00 0.04 0.00 0.00 34.50 34.68 1fai s PRO 195 CO -0.03 -2.88 2.21 0.66 0.04 0.00 0.00 177.00 177.00 1fai h SER 196 N -2.02 0.00 -0.15 6.66 4.64 -1.82 -2.45 113.55 118.40 1fai h SER 196 Ca -0.52 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 60.84 1fai h SER 196 Cb 1.30 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.38 1fai h SER 196 CO 0.49 0.04 0.17 0.77 -0.87 0.00 0.00 176.83 177.43 1fai h SER 197 N 0.00 0.00 0.15 4.97 4.64 -1.90 -2.90 113.55 118.51 1fai h SER 197 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1fai h SER 197 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1fai h SER 197 CO 0.00 0.00 -1.50 0.41 -0.87 0.00 0.00 176.83 174.87 1fai n THR 198 N -3.81 0.07 -3.64 2.95 -1.04 -0.92 -4.82 114.28 103.06 1fai n THR 198 Ca 0.01 -0.33 -0.15 0.00 -2.04 0.00 0.00 64.05 61.54 1fai n THR 198 Cb 0.28 0.26 -0.08 0.00 -1.82 0.00 0.00 70.33 68.98 1fai n THR 198 CO 0.00 0.00 0.00 0.86 -0.64 0.00 0.00 175.07 175.29 1fai s TRP 199 N -3.32 -0.64 -1.28 -1.42 -0.00 -1.09 -2.55 118.94 108.64 1fai s TRP 199 Ca -0.01 1.44 0.14 0.00 -0.00 0.00 0.00 56.10 57.66 1fai s TRP 199 Cb 0.14 0.26 0.67 0.00 -0.00 0.00 0.00 33.47 34.54 1fai s TRP 199 CO 0.87 -0.39 1.40 -0.35 -0.00 0.00 0.00 176.95 178.48 1fai n PRO 200 N 2.23 0.13 -0.26 5.86 -0.04 -1.26 -4.65 135.00 137.00 1fai n PRO 200 Ca -0.15 0.19 0.21 0.00 -0.04 0.00 0.00 63.50 63.70 1fai n PRO 200 Cb 0.56 -1.50 0.38 0.00 -0.04 0.00 0.00 33.50 32.90 1fai n PRO 200 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1fai n SER 201 N -1.36 0.15 -4.29 3.54 7.64 -1.26 -4.66 113.62 113.38 1fai n SER 201 Ca 0.05 1.32 -0.29 0.00 1.01 0.00 0.00 58.87 60.97 1fai n SER 201 Cb 0.13 -0.59 -0.08 0.00 -1.01 0.00 0.00 64.21 62.67 1fai n SER 201 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1fai s GLN 202 N -5.39 2.07 -1.25 1.43 -0.21 -1.06 -5.08 119.66 110.18 1fai s GLN 202 Ca -0.08 -2.30 -0.19 0.00 0.02 0.00 0.00 55.36 52.81 1fai s GLN 202 Cb 0.26 -0.89 0.05 0.00 1.00 0.00 0.00 33.01 33.43 1fai s GLN 202 CO 0.62 -0.49 1.73 0.95 -2.12 0.00 0.00 175.29 175.98 1fai s THR 203 N -3.08 4.03 -0.15 -0.19 -4.23 -1.26 -4.79 115.64 105.97 1fai s THR 203 Ca 0.15 -1.67 -0.14 0.00 -1.18 0.00 0.00 61.69 58.85 1fai s THR 203 Cb 0.01 -5.10 -0.05 0.00 1.34 0.00 0.00 72.50 68.70 1fai s THR 203 CO 0.10 -1.89 0.29 0.54 -0.54 0.00 0.00 174.62 173.12 1fai s VAL 204 N 5.12 5.30 0.00 2.29 0.11 -1.26 -4.88 120.40 127.08 1fai s VAL 204 Ca 0.55 0.55 0.02 0.00 -2.93 0.00 0.00 61.98 60.17 1fai s VAL 204 Cb 0.03 -3.63 -0.01 0.00 -1.53 0.00 0.00 36.38 31.25 1fai s VAL 204 CO 0.07 0.41 -0.07 -0.89 -3.33 0.00 0.00 175.10 171.29 1fai s THR 205 N 0.31 0.54 -0.18 5.04 2.01 -1.26 -0.64 115.64 121.46 1fai s THR 205 Ca 0.17 -0.41 -0.08 0.00 0.31 0.00 0.00 61.69 61.67 1fai s THR 205 Cb -0.13 -0.48 -0.05 0.00 0.01 0.00 0.00 72.50 71.86 1fai s THR 205 CO 0.04 0.07 0.10 0.00 -0.69 0.00 0.00 174.62 174.15 1fai s SER 207 N 0.17 3.21 0.14 0.00 0.01 0.85 -1.52 113.70 116.56 1fai s SER 207 Ca 0.07 -2.99 -0.30 0.00 1.31 0.00 0.00 55.95 54.04 1fai s SER 207 Cb -0.12 -0.94 -0.07 0.00 0.21 0.00 0.00 66.02 65.11 1fai s SER 207 CO -0.00 -0.20 1.02 -0.69 0.41 0.00 0.00 173.24 173.77 1fai s VAL 208 N -0.07 4.25 -0.40 3.43 1.01 -0.98 -2.53 120.40 125.11 1fai s VAL 208 Ca 0.24 1.89 0.07 0.00 0.00 0.00 0.00 61.98 64.18 1fai s VAL 208 Cb -0.12 -4.21 0.17 0.00 0.00 0.00 0.00 36.38 32.23 1fai s VAL 208 CO -0.09 0.30 0.56 0.00 0.00 0.00 0.00 175.10 175.87 1fai s ALA 209 N -0.10 -1.84 -1.03 5.51 0.00 -1.08 -1.30 121.76 121.93 1fai s ALA 209 Ca 0.48 -0.11 -0.18 0.00 0.00 0.00 0.00 51.96 52.15 1fai s ALA 209 Cb -0.26 -2.55 0.12 0.00 0.00 0.00 0.00 23.12 20.44 1fai s ALA 209 CO 0.32 -2.19 1.30 -1.58 0.00 0.00 0.00 175.76 173.60 1fai s HIS 210 N 1.74 3.07 0.41 0.00 5.04 -1.24 -3.54 115.29 120.77 1fai s HIS 210 Ca 0.16 -1.47 0.17 0.00 -1.54 0.00 0.00 55.06 52.38 1fai s HIS 210 Cb -0.07 -4.40 1.06 0.00 0.04 0.00 0.00 32.58 29.21 1fai s HIS 210 CO -0.06 -1.58 1.84 -1.00 -2.34 0.00 0.00 174.74 171.60 1fai h PRO 211 N 8.56 0.42 -3.55 2.88 0.13 -1.79 -3.22 132.00 135.42 1fai h PRO 211 Ca 0.22 -0.03 -0.75 0.00 -0.87 0.00 0.00 66.00 64.58 1fai h PRO 211 Cb 0.98 -0.09 -0.14 0.00 0.13 0.00 0.00 31.00 31.87 1fai h PRO 211 CO 1.22 0.28 2.18 0.00 -0.23 0.00 0.00 178.00 181.45 1fai n ALA 212 N -2.50 5.41 0.00 -0.56 0.00 -1.26 -1.03 120.51 120.56 1fai n ALA 212 Ca 0.20 -4.26 0.00 0.00 0.00 0.00 0.00 53.44 49.38 1fai n ALA 212 Cb 0.70 -3.05 0.00 0.00 0.00 0.00 0.00 19.45 17.10 1fai n ALA 212 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1fai n SER 213 N 4.13 0.00 -2.80 0.00 2.88 -1.22 -4.58 113.62 112.03 1fai n SER 213 Ca 0.41 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.75 1fai n SER 213 Cb 0.37 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.86 1fai n SER 213 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1fai n SER 214 N 0.00 -5.78 -4.83 -3.46 7.64 -0.20 -4.99 113.62 102.00 1fai n SER 214 Ca 0.00 -0.28 -0.36 0.00 1.01 0.00 0.00 58.87 59.24 1fai n SER 214 Cb 0.00 -4.59 -0.06 0.00 -1.01 0.00 0.00 64.21 58.55 1fai n SER 214 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1fai s THR 215 N -3.14 4.76 -0.31 0.44 2.01 -1.24 -5.03 115.64 113.13 1fai s THR 215 Ca 0.29 1.02 0.01 0.00 0.31 0.00 0.00 61.69 63.33 1fai s THR 215 Cb -0.13 -3.80 0.15 0.00 0.01 0.00 0.00 72.50 68.73 1fai s THR 215 CO 0.36 0.31 0.34 0.42 -0.69 0.00 0.00 174.62 175.36 1fai s THR 216 N -1.40 -0.45 -0.23 -0.82 -4.23 -1.26 -3.68 115.64 103.57 1fai s THR 216 Ca 0.37 -0.55 -0.11 0.00 -1.18 0.00 0.00 61.69 60.21 1fai s THR 216 Cb -0.16 -0.91 -0.05 0.00 1.34 0.00 0.00 72.50 72.72 1fai s THR 216 CO 0.20 -0.45 0.20 -0.69 -0.54 0.00 0.00 174.62 173.34 1fai s VAL 217 N 2.18 5.34 0.16 2.29 1.01 -0.42 -5.02 120.40 125.94 1fai s VAL 217 Ca 0.11 0.27 0.04 0.00 0.00 0.00 0.00 61.98 62.41 1fai s VAL 217 Cb -0.14 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 1fai s VAL 217 CO -0.25 0.34 0.18 -1.81 0.00 0.00 0.00 175.10 173.55 1fai s ASP 218 N 0.96 5.75 -0.12 3.32 1.11 -1.26 -2.31 116.67 124.12 1fai s ASP 218 Ca 0.10 -0.04 -0.05 0.00 0.18 0.00 0.00 52.55 52.74 1fai s ASP 218 Cb -0.13 -1.57 0.06 0.00 1.07 0.00 0.00 42.92 42.34 1fai s ASP 218 CO 0.04 0.07 0.24 -0.54 1.18 0.00 0.00 175.17 176.16 1fai s LYS 219 N -3.12 0.13 0.33 8.23 -0.14 -0.57 -4.95 119.74 119.65 1fai s LYS 219 Ca 0.32 0.71 -0.28 0.00 -1.36 0.00 0.00 55.97 55.35 1fai s LYS 219 Cb -0.10 -0.08 -0.10 0.00 -1.68 0.00 0.00 37.83 35.87 1fai s LYS 219 CO 0.25 -0.28 1.28 0.21 -0.76 0.00 0.00 175.35 176.05 1fai s LYS 220 N 2.33 4.35 0.00 1.68 2.36 -1.26 -1.86 119.74 127.33 1fai s LYS 220 Ca 0.01 2.16 0.00 0.00 -2.55 0.00 0.00 55.97 55.58 1fai s LYS 220 Cb -0.12 -3.05 0.00 0.00 -1.05 0.00 0.00 37.83 33.61 1fai s LYS 220 CO -0.08 -0.17 0.42 1.28 1.55 0.00 0.00 175.35 178.35