#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5g s SER 2 N 0.00 6.40 0.12 1.61 0.01 -1.26 -5.04 113.70 115.53 1x5g s SER 2 Ca 0.00 -1.92 -0.10 0.00 1.31 0.00 0.00 55.95 55.24 1x5g s SER 2 Cb 0.00 -2.27 -0.06 0.00 0.21 0.00 0.00 66.02 63.90 1x5g s SER 2 CO 0.00 -0.91 0.44 -0.55 0.41 0.00 0.00 173.24 172.63 1x5g s SER 3 N 3.24 6.66 0.00 2.44 0.15 -1.26 -4.78 113.70 120.15 1x5g s SER 3 Ca 0.14 0.84 0.00 0.00 0.70 0.00 0.00 55.95 57.63 1x5g s SER 3 Cb -0.19 -2.20 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 1x5g s SER 3 CO -0.01 0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.16 1x5g n GLY 4 N 0.67 1.19 2.47 9.45 0.00 -1.26 -5.11 105.19 112.60 1x5g n GLY 4 Ca -0.06 -0.09 -0.45 0.00 0.00 0.00 0.00 46.02 45.42 1x5g n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x5g n SER 5 N 0.00 0.56 -4.67 1.61 2.88 -1.26 -4.89 113.62 107.84 1x5g n SER 5 Ca 0.00 0.50 -0.30 0.00 -1.33 0.00 0.00 58.87 57.74 1x5g n SER 5 Cb 0.00 -0.68 -0.09 0.00 -0.75 0.00 0.00 64.21 62.68 1x5g n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x5g s SER 6 N 4.62 3.93 -0.02 -3.46 1.04 -1.26 -5.15 113.70 113.40 1x5g s SER 6 Ca 0.91 -1.51 0.08 0.00 0.48 0.00 0.00 55.95 55.91 1x5g s SER 6 Cb -1.13 0.04 -0.02 0.00 0.10 0.00 0.00 66.02 65.02 1x5g s SER 6 CO 0.50 -0.65 -0.25 -0.83 0.98 0.00 0.00 173.24 172.99 1x5g s GLY 7 N -3.78 1.23 -1.25 7.32 0.00 -1.26 -5.06 107.32 104.53 1x5g s GLY 7 Ca 0.22 -1.08 -0.12 0.00 0.00 0.00 0.00 44.72 43.74 1x5g s GLY 7 CO 0.11 -0.89 1.64 -2.13 0.00 0.00 0.00 173.10 171.83 1x5g n ARG 8 N 2.48 3.46 -3.90 2.90 0.63 -1.26 -4.93 116.66 116.04 1x5g n ARG 8 Ca -0.16 -3.69 -0.27 0.00 -0.92 0.00 0.00 57.85 52.81 1x5g n ARG 8 Cb 0.51 -3.01 -0.17 0.00 0.45 0.00 0.00 32.46 30.24 1x5g n ARG 8 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 1x5g s VAL 9 N 1.17 1.02 -0.13 5.15 -7.23 -1.26 -5.01 120.40 114.12 1x5g s VAL 9 Ca 0.42 -0.30 -0.00 0.00 -1.81 0.00 0.00 61.98 60.29 1x5g s VAL 9 Cb 0.03 -1.05 0.10 0.00 0.56 0.00 0.00 36.38 36.02 1x5g s VAL 9 CO 0.00 0.36 1.83 1.21 -0.31 0.00 0.00 175.10 178.19 1x5g n GLU 10 N 4.94 1.32 -4.18 4.82 2.13 -1.26 -4.83 120.64 123.58 1x5g n GLU 10 Ca -0.12 -0.66 -0.17 0.00 0.66 0.00 0.00 57.16 56.87 1x5g n GLU 10 Cb 0.50 -1.26 -0.06 0.00 0.27 0.00 0.00 31.44 30.89 1x5g n GLU 10 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1x5g s THR 11 N -0.91 0.00 0.02 6.31 -4.23 -1.26 -5.18 115.64 110.39 1x5g s THR 11 Ca 0.13 -1.79 0.02 0.00 -1.18 0.00 0.00 61.69 58.87 1x5g s THR 11 Cb 0.10 -2.60 -0.01 0.00 1.34 0.00 0.00 72.50 71.33 1x5g s THR 11 CO 0.00 0.00 -0.07 -1.10 -0.54 0.00 0.00 174.62 172.91 1x5g s GLN 12 N -3.15 0.53 0.00 3.99 -0.21 -1.26 -5.16 119.66 114.40 1x5g s GLN 12 Ca 0.36 -0.48 0.00 0.00 0.02 0.00 0.00 55.36 55.25 1x5g s GLN 12 Cb 0.01 -0.43 0.00 0.00 1.00 0.00 0.00 33.01 33.59 1x5g s GLN 12 CO 0.25 0.10 0.00 -0.35 -2.12 0.00 0.00 175.29 173.17 1x5g n PRO 13 N 2.23 0.20 -0.29 2.91 -0.04 -1.26 -5.01 135.00 133.74 1x5g n PRO 13 Ca -0.17 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.15 1x5g n PRO 13 Cb 0.56 0.00 0.13 0.00 -0.04 0.00 0.00 33.50 34.15 1x5g n PRO 13 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1x5g n GLU 14 N -0.60 -1.72 0.00 0.54 1.02 -1.26 -4.97 120.64 113.66 1x5g n GLU 14 Ca 0.00 -0.63 0.00 0.00 -0.02 0.00 0.00 57.16 56.52 1x5g n GLU 14 Cb 0.00 -1.08 -0.00 0.00 -0.02 0.00 0.00 31.44 30.34 1x5g n GLU 14 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1x5g n VAL 15 N -4.11 0.00 -3.54 2.62 0.31 -1.26 -4.84 118.33 107.52 1x5g n VAL 15 Ca 0.06 -0.49 -0.27 0.00 -0.01 0.00 0.00 64.34 63.63 1x5g n VAL 15 Cb 0.26 1.00 -0.10 0.00 -0.91 0.00 0.00 33.84 34.09 1x5g n VAL 15 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x5g n GLN 16 N -0.90 1.36 -4.43 5.55 6.02 -1.26 -5.09 117.38 118.62 1x5g n GLN 16 Ca 0.00 -3.96 -0.22 0.00 -0.01 0.00 0.00 57.00 52.80 1x5g n GLN 16 Cb 0.01 -1.94 -0.10 0.00 1.02 0.00 0.00 30.24 29.23 1x5g n GLN 16 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1x5g s LEU 17 N -1.23 2.58 0.81 1.08 1.02 -1.26 -4.64 118.68 117.04 1x5g s LEU 17 Ca 0.32 -1.02 -0.11 0.00 0.02 0.00 0.00 54.13 53.34 1x5g s LEU 17 Cb 0.06 -0.97 0.08 0.00 0.02 0.00 0.00 46.19 45.37 1x5g s LEU 17 CO -0.13 -0.02 1.09 -2.16 0.02 0.00 0.00 176.35 175.15 1x5g s PRO 18 N -3.53 1.92 0.54 1.29 0.04 -1.26 -4.70 135.00 129.30 1x5g s PRO 18 Ca 0.27 1.06 0.09 0.00 0.04 0.00 0.00 61.00 62.46 1x5g s PRO 18 Cb -0.04 -1.87 0.07 0.00 0.04 0.00 0.00 34.50 32.70 1x5g s PRO 18 CO 0.12 -1.85 0.71 0.20 0.04 0.00 0.00 177.00 176.23 1x5g s GLY 19 N -3.40 1.83 0.13 0.56 0.00 -1.20 -3.77 107.32 101.47 1x5g s GLY 19 Ca 0.62 -1.99 -0.31 0.00 0.00 0.00 0.00 44.72 43.04 1x5g s GLY 19 CO 0.56 -1.67 1.35 2.56 0.00 0.00 0.00 173.10 175.91 1x5g s PRO 20 N -4.56 4.35 -0.24 2.90 0.04 -1.26 -4.72 135.00 131.51 1x5g s PRO 20 Ca 0.58 2.04 -0.29 0.00 0.04 0.00 0.00 61.00 63.37 1x5g s PRO 20 Cb -0.06 -3.25 -0.03 0.00 0.04 0.00 0.00 34.50 31.20 1x5g s PRO 20 CO 0.36 -0.38 1.72 0.00 0.04 0.00 0.00 177.00 178.75 1x5g s ALA 21 N 0.90 3.14 1.19 8.56 0.00 -1.26 -4.51 121.76 129.77 1x5g s ALA 21 Ca 0.62 0.47 -0.16 0.00 0.00 0.00 0.00 51.96 52.90 1x5g s ALA 21 Cb -0.36 -3.91 0.23 0.00 0.00 0.00 0.00 23.12 19.08 1x5g s ALA 21 CO 0.32 -2.18 0.82 -0.35 0.00 0.00 0.00 175.76 174.37 1x5g n PRO 22 N 7.95 -2.63 -4.17 0.00 -0.04 -1.22 -4.21 135.00 130.68 1x5g n PRO 22 Ca 0.21 -1.31 -0.31 0.00 -0.04 0.00 0.00 63.50 62.05 1x5g n PRO 22 Cb 0.45 -1.23 -0.06 0.00 -0.04 0.00 0.00 33.50 32.62 1x5g n PRO 22 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1x5g n ASN 23 N -4.41 -0.08 -4.46 3.54 5.03 -1.26 -1.07 115.26 112.55 1x5g n ASN 23 Ca 0.11 -1.20 -0.43 0.00 0.87 0.00 0.00 54.58 53.93 1x5g n ASN 23 Cb 0.44 -2.07 -0.05 0.00 -1.02 0.00 0.00 39.78 37.08 1x5g n ASN 23 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1x5g s LEU 24 N -7.25 4.56 0.22 3.41 2.96 -1.26 -3.61 118.68 117.72 1x5g s LEU 24 Ca 0.06 -0.86 0.10 0.00 -0.22 0.00 0.00 54.13 53.22 1x5g s LEU 24 Cb -0.03 -2.52 -0.04 0.00 0.50 0.00 0.00 46.19 44.09 1x5g s LEU 24 CO 0.96 -1.22 -0.12 -0.13 -1.32 0.00 0.00 176.35 174.52 1x5g s ARG 25 N 3.54 1.93 -0.18 1.98 1.81 0.59 -5.01 118.95 123.61 1x5g s ARG 25 Ca 0.21 -1.46 -0.09 0.00 -1.72 0.00 0.00 55.73 52.68 1x5g s ARG 25 Cb -0.17 -2.02 0.07 0.00 -0.45 0.00 0.00 34.95 32.38 1x5g s ARG 25 CO 0.13 0.39 0.42 0.00 -0.68 0.00 0.00 175.30 175.55 1x5g s ALA 26 N -2.02 -1.10 -0.02 2.13 0.00 -1.26 -1.59 121.76 117.90 1x5g s ALA 26 Ca 0.27 1.55 -0.02 0.00 0.00 0.00 0.00 51.96 53.75 1x5g s ALA 26 Cb -0.07 -1.05 0.00 0.00 0.00 0.00 0.00 23.12 22.00 1x5g s ALA 26 CO 0.15 -0.41 0.06 1.52 0.00 0.00 0.00 175.76 177.09 1x5g s TYR 27 N 1.75 -0.05 -0.68 0.00 1.13 -0.68 -5.02 117.35 113.81 1x5g s TYR 27 Ca -0.07 0.12 -0.27 0.00 -1.41 0.00 0.00 57.07 55.44 1x5g s TYR 27 Cb -0.09 0.01 0.02 0.00 -1.10 0.00 0.00 41.96 40.80 1x5g s TYR 27 CO -0.13 -0.05 1.39 0.00 -2.51 0.00 0.00 175.55 174.26 1x5g s ALA 28 N -0.09 2.68 0.10 9.51 0.00 -1.26 -1.44 121.76 131.26 1x5g s ALA 28 Ca -0.01 -1.10 0.30 0.00 0.00 0.00 0.00 51.96 51.15 1x5g s ALA 28 Cb -0.01 -4.23 1.20 0.00 0.00 0.00 0.00 23.12 20.08 1x5g s ALA 28 CO 0.00 -3.30 1.93 0.00 0.00 0.00 0.00 175.76 174.39 1x5g h ALA 29 N 11.00 1.01 -2.89 0.00 0.00 -1.90 -3.45 119.26 123.05 1x5g h ALA 29 Ca -0.27 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 1x5g h ALA 29 Cb 1.08 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.73 1x5g h ALA 29 CO 1.25 0.09 0.08 -1.12 0.00 0.00 0.00 179.25 179.55 1x5g s SER 30 N -5.88 -0.39 0.00 0.00 0.01 -1.18 -4.99 113.70 101.27 1x5g s SER 30 Ca 0.01 -0.20 0.15 0.00 1.31 0.00 0.00 55.95 57.22 1x5g s SER 30 Cb 0.09 0.55 0.81 0.00 0.21 0.00 0.00 66.02 67.68 1x5g s SER 30 CO 0.58 -0.94 1.39 -0.81 0.41 0.00 0.00 173.24 173.86 1x5g n PRO 31 N -0.32 0.30 0.00 12.44 -0.04 -1.26 -2.34 135.00 143.79 1x5g n PRO 31 Ca -0.15 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1x5g n PRO 31 Cb 0.64 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 1x5g n PRO 31 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1x5g n THR 32 N -1.19 0.07 -4.16 0.52 -2.24 -1.26 -2.83 114.28 103.19 1x5g n THR 32 Ca 0.09 -0.26 -0.11 0.00 -2.27 0.00 0.00 64.05 61.49 1x5g n THR 32 Cb 0.10 1.43 -0.09 0.00 -2.10 0.00 0.00 70.33 69.66 1x5g n THR 32 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1x5g s SER 33 N -0.07 0.14 -0.15 3.42 0.15 -0.99 -0.32 113.70 115.89 1x5g s SER 33 Ca 0.00 -1.28 -0.10 0.00 0.70 0.00 0.00 55.95 55.27 1x5g s SER 33 Cb 0.00 0.39 0.05 0.00 -1.71 0.00 0.00 66.02 64.75 1x5g s SER 33 CO 0.00 -0.86 0.37 -0.63 1.20 0.00 0.00 173.24 173.32 1x5g s ILE 34 N -4.12 -0.02 -0.17 6.45 1.01 -0.37 -3.11 121.20 120.87 1x5g s ILE 34 Ca 0.34 0.06 -0.06 0.00 0.00 0.00 0.00 60.65 60.98 1x5g s ILE 34 Cb 0.06 -0.53 -0.04 0.00 0.01 0.00 0.00 42.46 41.96 1x5g s ILE 34 CO 0.09 0.02 0.04 -0.89 0.00 0.00 0.00 174.94 174.21 1x5g s THR 35 N 0.85 4.58 -0.10 2.92 2.01 -0.52 -0.58 115.64 124.81 1x5g s THR 35 Ca -0.05 -0.11 0.03 0.00 0.31 0.00 0.00 61.69 61.86 1x5g s THR 35 Cb -0.06 -3.05 0.01 0.00 0.01 0.00 0.00 72.50 69.41 1x5g s THR 35 CO -0.06 0.48 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.47 1x5g s VAL 36 N 0.28 1.68 -0.08 3.82 1.01 -0.60 -1.68 120.40 124.83 1x5g s VAL 36 Ca 0.02 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.27 1x5g s VAL 36 Cb -0.13 -1.49 0.00 0.00 0.00 0.00 0.00 36.38 34.76 1x5g s VAL 36 CO 0.01 0.48 -0.20 0.42 0.00 0.00 0.00 175.10 175.80 1x5g s THR 37 N 0.70 1.72 0.18 3.92 -4.23 -0.62 -2.17 115.64 115.13 1x5g s THR 37 Ca -0.12 -0.83 -0.01 0.00 -1.18 0.00 0.00 61.69 59.55 1x5g s THR 37 Cb -0.16 -1.49 -0.04 0.00 1.34 0.00 0.00 72.50 72.14 1x5g s THR 37 CO 0.03 0.48 0.09 -1.66 -0.54 0.00 0.00 174.62 173.02 1x5g s TRP 38 N 0.32 1.09 0.35 3.99 -2.14 -1.19 -0.30 118.94 121.06 1x5g s TRP 38 Ca -0.14 -1.27 0.09 0.00 2.66 0.00 0.00 56.10 57.44 1x5g s TRP 38 Cb -0.16 -0.58 -0.06 0.00 -3.10 0.00 0.00 33.47 29.57 1x5g s TRP 38 CO 0.06 -0.52 -0.02 -1.21 -2.66 0.00 0.00 176.95 172.60 1x5g s GLU 39 N -4.08 1.99 0.12 3.25 0.41 -0.23 -4.74 118.70 115.42 1x5g s GLU 39 Ca 0.32 -1.83 -0.24 0.00 -0.41 0.00 0.00 54.97 52.81 1x5g s GLU 39 Cb 0.07 -1.84 -0.07 0.00 -1.78 0.00 0.00 34.13 30.51 1x5g s GLU 39 CO 0.08 0.12 0.72 0.99 -0.49 0.00 0.00 175.26 176.67 1x5g s THR 40 N -2.56 4.54 0.15 3.63 2.01 -1.26 -3.37 115.64 118.78 1x5g s THR 40 Ca 0.34 1.56 -0.31 0.00 0.31 0.00 0.00 61.69 63.60 1x5g s THR 40 Cb 0.01 -4.07 -0.08 0.00 0.01 0.00 0.00 72.50 68.37 1x5g s THR 40 CO 0.18 0.50 1.34 -2.16 -0.69 0.00 0.00 174.62 173.79 1x5g s PRO 41 N -0.90 4.36 0.58 4.92 0.04 -1.26 -4.65 135.00 138.09 1x5g s PRO 41 Ca 0.34 2.04 0.38 0.00 0.04 0.00 0.00 61.00 63.80 1x5g s PRO 41 Cb -0.22 -3.23 1.85 0.00 0.04 0.00 0.00 34.50 32.94 1x5g s PRO 41 CO 0.24 -0.33 2.14 -0.39 0.04 0.00 0.00 177.00 178.69 1x5g h VAL 42 N 4.03 0.00 -3.26 -0.36 -1.51 -1.96 -3.41 116.25 109.78 1x5g h VAL 42 Ca -0.43 -0.22 -0.65 0.00 -1.23 0.00 0.00 66.70 64.16 1x5g h VAL 42 Cb 1.21 1.18 -0.16 0.00 -2.13 0.00 0.00 31.29 31.39 1x5g h VAL 42 CO 0.82 0.00 -0.60 -0.55 -1.23 0.00 0.00 177.57 176.00 1x5g s SER 43 N -5.26 5.35 0.00 4.19 0.15 -1.26 -5.06 113.70 111.81 1x5g s SER 43 Ca -0.02 0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.72 1x5g s SER 43 Cb 0.11 -1.74 0.00 0.00 -1.71 0.00 0.00 66.02 62.68 1x5g s SER 43 CO 0.45 0.27 0.00 0.61 1.20 0.00 0.00 173.24 175.77 1x5g n GLY 44 N 2.87 3.21 3.67 9.45 0.00 -1.26 -3.24 105.19 119.88 1x5g n GLY 44 Ca -0.18 -0.81 -0.38 0.00 0.00 0.00 0.00 46.02 44.65 1x5g n GLY 44 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1x5g s ASN 45 N 0.00 6.47 1.84 1.61 3.84 -1.26 -4.92 114.94 122.52 1x5g s ASN 45 Ca 0.00 0.56 0.00 0.00 0.21 0.00 0.00 52.86 53.63 1x5g s ASN 45 Cb 0.00 -2.25 0.00 0.00 -0.55 0.00 0.00 41.25 38.45 1x5g s ASN 45 CO 0.00 -0.11 0.00 0.61 -2.79 0.00 0.00 177.10 174.81 1x5g n GLY 46 N 3.94 3.52 3.13 1.21 0.00 -1.26 -4.73 105.19 111.00 1x5g n GLY 46 Ca -0.07 -0.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 1x5g n GLY 46 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1x5g s GLU 47 N 0.00 0.71 -0.21 1.61 -1.05 -1.26 -5.12 118.70 113.38 1x5g s GLU 47 Ca 0.00 -0.97 -0.29 0.00 -0.15 0.00 0.00 54.97 53.56 1x5g s GLU 47 Cb 0.00 -0.48 -0.00 0.00 -0.44 0.00 0.00 34.13 33.21 1x5g s GLU 47 CO 0.00 0.08 1.19 0.42 0.95 0.00 0.00 175.26 177.90 1x5g s ILE 48 N -1.86 4.40 0.10 1.83 -1.09 -1.26 -4.87 121.20 118.45 1x5g s ILE 48 Ca -0.02 1.67 -0.33 0.00 -2.23 0.00 0.00 60.65 59.75 1x5g s ILE 48 Cb -0.07 -4.14 -0.14 0.00 -1.58 0.00 0.00 42.46 36.54 1x5g s ILE 48 CO 0.00 -0.21 1.59 1.56 -1.23 0.00 0.00 174.94 176.65 1x5g h GLN 49 N 8.10 -0.78 -3.07 2.79 1.08 -1.93 -3.45 115.11 117.84 1x5g h GLN 49 Ca -0.24 0.05 -0.11 0.00 -1.45 0.00 0.00 58.65 56.91 1x5g h GLN 49 Cb 1.09 0.18 -0.19 0.00 -0.05 0.00 0.00 27.48 28.50 1x5g h GLN 49 CO 0.98 -0.52 -0.26 -0.80 -0.95 0.00 0.00 178.83 177.29 1x5g s ASN 50 N -4.55 -0.19 -0.25 1.46 -0.87 -1.24 -4.99 114.94 104.32 1x5g s ASN 50 Ca -0.17 0.03 -0.14 0.00 -1.57 0.00 0.00 52.86 51.01 1x5g s ASN 50 Cb 0.06 0.33 -0.04 0.00 -0.02 0.00 0.00 41.25 41.57 1x5g s ASN 50 CO 0.62 -0.49 0.32 -0.31 -2.57 0.00 0.00 177.10 174.67 1x5g s TYR 51 N -1.63 3.28 -0.33 2.20 2.02 0.26 -3.49 117.35 119.66 1x5g s TYR 51 Ca -0.11 0.39 -0.19 0.00 -0.37 0.00 0.00 57.07 56.79 1x5g s TYR 51 Cb -0.04 -2.49 -0.01 0.00 -0.40 0.00 0.00 41.96 39.03 1x5g s TYR 51 CO 0.03 -0.12 0.55 0.21 -1.57 0.00 0.00 175.55 174.64 1x5g s LYS 52 N 1.70 3.75 -0.37 -0.62 2.47 -0.92 -1.70 119.74 124.04 1x5g s LYS 52 Ca 0.14 0.02 -0.09 0.00 -1.56 0.00 0.00 55.97 54.48 1x5g s LYS 52 Cb -0.15 -3.77 0.05 0.00 -1.46 0.00 0.00 37.83 32.49 1x5g s LYS 52 CO 0.09 -0.60 0.19 -1.17 0.16 0.00 0.00 175.35 174.01 1x5g s LEU 53 N 2.47 4.70 0.41 5.43 2.96 -1.07 -1.85 118.68 131.73 1x5g s LEU 53 Ca 0.21 -1.19 -0.11 0.00 -0.22 0.00 0.00 54.13 52.82 1x5g s LEU 53 Cb -0.15 -1.96 -0.06 0.00 0.50 0.00 0.00 46.19 44.52 1x5g s LEU 53 CO 0.13 -0.41 0.78 -0.31 -1.32 0.00 0.00 176.35 175.21 1x5g s TYR 54 N 1.46 3.47 -0.27 5.38 1.51 -0.60 -2.45 117.35 125.85 1x5g s TYR 54 Ca 0.01 1.05 -0.18 0.00 -1.01 0.00 0.00 57.07 56.94 1x5g s TYR 54 Cb -0.20 -2.45 0.08 0.00 -0.11 0.00 0.00 41.96 39.27 1x5g s TYR 54 CO 0.04 -0.12 0.68 1.52 -1.11 0.00 0.00 175.55 176.57 1x5g s TYR 55 N -2.39 -0.96 0.16 2.71 1.13 -1.25 -3.23 117.35 113.53 1x5g s TYR 55 Ca 0.51 2.03 -0.18 0.00 -1.41 0.00 0.00 57.07 58.02 1x5g s TYR 55 Cb -0.10 0.51 0.04 0.00 -1.10 0.00 0.00 41.96 41.31 1x5g s TYR 55 CO 0.32 -0.47 0.49 0.00 -2.51 0.00 0.00 175.55 173.37 1x5g s MET 56 N 1.23 1.22 -0.05 -3.49 0.23 -0.96 -3.28 119.30 114.20 1x5g s MET 56 Ca -0.07 -0.71 -0.18 0.00 -1.03 0.00 0.00 55.69 53.70 1x5g s MET 56 Cb -0.05 0.51 -0.05 0.00 -1.53 0.00 0.00 34.83 33.71 1x5g s MET 56 CO -0.13 -0.51 0.51 -2.00 -2.03 0.00 0.00 175.02 170.86 1x5g s GLU 57 N -3.81 4.24 -0.60 3.16 2.12 -1.26 0.36 118.70 122.91 1x5g s GLU 57 Ca 0.05 0.55 -0.27 0.00 0.36 0.00 0.00 54.97 55.66 1x5g s GLU 57 Cb 0.00 -3.35 -0.10 0.00 0.26 0.00 0.00 34.13 30.94 1x5g s GLU 57 CO -0.09 0.36 2.48 1.17 -0.54 0.00 0.00 175.26 178.64 1x5g n LYS 58 N 2.89 0.81 0.00 4.30 3.00 -1.18 -2.00 118.16 125.98 1x5g n LYS 58 Ca -0.09 -0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.22 1x5g n LYS 58 Cb 0.51 -3.01 0.00 0.00 0.00 0.00 0.00 35.03 32.53 1x5g n LYS 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1x5g n GLY 59 N 6.12 1.29 0.00 3.14 0.00 -1.26 -4.98 105.19 109.50 1x5g n GLY 59 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.46 1x5g n GLY 59 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1x5g n THR 60 N -0.09 0.00 -1.95 2.61 -1.04 -0.85 -5.01 114.28 107.95 1x5g n THR 60 Ca 0.00 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.87 1x5g n THR 60 Cb 0.00 -0.31 -0.03 0.00 -1.82 0.00 0.00 70.33 68.17 1x5g n THR 60 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1x5g n ASP 61 N -1.34 -4.00 -3.29 8.00 5.68 -1.26 -4.87 116.55 115.47 1x5g n ASP 61 Ca 0.00 0.24 -0.25 0.00 -0.50 0.00 0.00 54.79 54.28 1x5g n ASP 61 Cb 0.22 -3.53 -0.07 0.00 -1.14 0.00 0.00 41.12 36.60 1x5g n ASP 61 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1x5g n LYS 62 N -2.41 1.44 -1.53 0.11 3.00 -1.26 -5.11 118.16 112.40 1x5g n LYS 62 Ca -0.15 -3.81 -0.35 0.00 -0.00 0.00 0.00 58.31 53.99 1x5g n LYS 62 Cb 0.55 -1.64 0.09 0.00 0.00 0.00 0.00 35.03 34.02 1x5g n LYS 62 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1x5g s GLU 63 N -1.68 2.26 0.23 1.64 2.12 -1.26 -4.86 118.70 117.14 1x5g s GLU 63 Ca 0.37 1.87 0.01 0.00 0.36 0.00 0.00 54.97 57.57 1x5g s GLU 63 Cb 0.16 -1.84 -0.00 0.00 0.26 0.00 0.00 34.13 32.71 1x5g s GLU 63 CO -0.07 -1.77 0.03 1.04 -0.54 0.00 0.00 175.26 173.95 1x5g n GLN 64 N -2.46 1.10 -3.70 4.30 6.02 -1.21 -5.00 117.38 116.43 1x5g n GLN 64 Ca 0.14 -1.82 -0.12 0.00 -0.01 0.00 0.00 57.00 55.20 1x5g n GLN 64 Cb 0.49 0.70 -0.10 0.00 1.02 0.00 0.00 30.24 32.36 1x5g n GLN 64 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 1x5g s ASP 65 N -2.35 -0.52 -0.03 1.08 -4.77 -1.26 -3.74 116.67 105.08 1x5g s ASP 65 Ca 0.05 0.96 0.04 0.00 -3.30 0.00 0.00 52.55 50.29 1x5g s ASP 65 Cb 0.00 0.91 -0.01 0.00 -1.09 0.00 0.00 42.92 42.74 1x5g s ASP 65 CO 0.03 -0.18 -0.14 0.68 0.70 0.00 0.00 175.17 176.26 1x5g s VAL 66 N 0.74 1.18 -0.03 2.11 -7.23 -1.03 -4.99 120.40 111.16 1x5g s VAL 66 Ca -0.04 -0.60 -0.30 0.00 -1.81 0.00 0.00 61.98 59.22 1x5g s VAL 66 Cb -0.05 -1.01 -0.05 0.00 0.56 0.00 0.00 36.38 35.84 1x5g s VAL 66 CO -0.05 0.34 1.37 -1.81 -0.31 0.00 0.00 175.10 174.64 1x5g s ASP 67 N -0.10 6.88 -0.06 4.85 1.11 -1.26 -2.61 116.67 125.49 1x5g s ASP 67 Ca 0.01 2.03 -0.04 0.00 0.18 0.00 0.00 52.55 54.72 1x5g s ASP 67 Cb -0.08 -2.56 0.02 0.00 1.07 0.00 0.00 42.92 41.37 1x5g s ASP 67 CO 0.01 -0.71 0.14 -0.69 1.18 0.00 0.00 175.17 175.10 1x5g s VAL 68 N 2.56 -0.01 -0.27 -1.27 1.01 -0.69 -4.98 120.40 116.74 1x5g s VAL 68 Ca 0.62 0.05 0.12 0.00 0.00 0.00 0.00 61.98 62.77 1x5g s VAL 68 Cb -0.29 -0.21 0.47 0.00 0.00 0.00 0.00 36.38 36.34 1x5g s VAL 68 CO 0.25 0.02 1.17 -1.54 0.00 0.00 0.00 175.10 175.00 1x5g n SER 69 N 3.37 3.78 -4.15 3.32 3.41 -1.26 0.92 113.62 123.01 1x5g n SER 69 Ca -0.17 -3.29 -0.11 0.00 -0.26 0.00 0.00 58.87 55.04 1x5g n SER 69 Cb 0.57 -0.39 -0.09 0.00 -0.26 0.00 0.00 64.21 64.04 1x5g n SER 69 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1x5g s SER 70 N -3.59 0.09 -0.26 4.04 1.04 -1.26 -4.97 113.70 108.79 1x5g s SER 70 Ca 0.44 -1.26 0.08 0.00 0.48 0.00 0.00 55.95 55.68 1x5g s SER 70 Cb 0.38 0.43 0.60 0.00 0.10 0.00 0.00 66.02 67.54 1x5g s SER 70 CO 0.01 -0.92 1.60 1.41 0.98 0.00 0.00 173.24 176.32 1x5g n HIS 71 N -0.30 2.00 -3.42 5.02 -0.00 -1.26 -4.81 115.22 112.47 1x5g n HIS 71 Ca 0.01 -1.00 0.01 0.00 -0.00 0.00 0.00 57.72 56.74 1x5g n HIS 71 Cb 0.65 -0.59 -0.04 0.00 -0.00 0.00 0.00 29.99 30.01 1x5g n HIS 71 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1x5g s SER 72 N -0.71 -0.60 0.02 0.41 1.04 -1.26 -3.19 113.70 109.42 1x5g s SER 72 Ca 0.44 0.82 0.02 0.00 0.48 0.00 0.00 55.95 57.72 1x5g s SER 72 Cb 0.35 1.67 -0.02 0.00 0.10 0.00 0.00 66.02 68.13 1x5g s SER 72 CO 0.11 -0.11 -0.07 -0.47 0.98 0.00 0.00 173.24 173.67 1x5g s TYR 73 N 2.44 0.64 -0.16 5.02 6.14 -0.92 -5.01 117.35 125.50 1x5g s TYR 73 Ca -0.03 -0.31 -0.00 0.00 0.64 0.00 0.00 57.07 57.37 1x5g s TYR 73 Cb -0.06 -0.39 -0.00 0.00 0.42 0.00 0.00 41.96 41.92 1x5g s TYR 73 CO -0.17 -0.04 -0.13 0.99 0.64 0.00 0.00 175.55 176.83 1x5g s THR 74 N -0.80 2.82 -0.42 4.34 2.01 -1.26 -1.56 115.64 120.77 1x5g s THR 74 Ca -0.04 -0.72 -0.12 0.00 0.31 0.00 0.00 61.69 61.12 1x5g s THR 74 Cb -0.06 -2.20 0.06 0.00 0.01 0.00 0.00 72.50 70.30 1x5g s THR 74 CO 0.00 0.51 0.29 -0.63 -0.69 0.00 0.00 174.62 174.10 1x5g s ILE 75 N 0.83 4.71 0.71 1.82 1.01 0.26 -4.92 121.20 125.61 1x5g s ILE 75 Ca -0.04 -1.09 0.03 0.00 0.00 0.00 0.00 60.65 59.55 1x5g s ILE 75 Cb -0.15 -3.77 0.13 0.00 0.01 0.00 0.00 42.46 38.68 1x5g s ILE 75 CO 0.00 -0.44 0.97 0.59 0.00 0.00 0.00 174.94 176.06 1x5g n ASN 76 N 5.05 1.62 -2.22 3.58 3.02 -1.26 -1.24 115.26 123.80 1x5g n ASN 76 Ca -0.11 -2.29 -0.08 0.00 -0.03 0.00 0.00 54.58 52.07 1x5g n ASN 76 Cb 0.44 -0.60 0.04 0.00 -0.61 0.00 0.00 39.78 39.05 1x5g n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x5g n GLY 77 N -2.72 0.02 3.40 7.41 0.00 -0.54 -4.91 105.19 107.86 1x5g n GLY 77 Ca 0.17 -0.13 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 1x5g n GLY 77 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x5g s LEU 78 N -4.13 2.43 0.90 0.99 1.43 0.57 -5.02 118.68 115.85 1x5g s LEU 78 Ca 0.04 -1.18 -0.12 0.00 -1.03 0.00 0.00 54.13 51.84 1x5g s LEU 78 Cb -0.01 -0.56 0.13 0.00 0.03 0.00 0.00 46.19 45.78 1x5g s LEU 78 CO 0.36 -0.37 1.12 -0.54 0.23 0.00 0.00 176.35 177.15 1x5g s LYS 79 N -3.75 1.21 -0.21 1.70 -0.14 -1.26 -4.28 119.74 113.01 1x5g s LYS 79 Ca 0.29 0.39 -0.10 0.00 -1.36 0.00 0.00 55.97 55.19 1x5g s LYS 79 Cb 0.04 -1.84 -0.05 0.00 -1.68 0.00 0.00 37.83 34.30 1x5g s LYS 79 CO 0.11 -2.17 0.13 0.15 -0.76 0.00 0.00 175.35 172.81 1x5g s LYS 80 N -5.21 4.16 -0.94 1.68 3.01 -1.13 -4.22 119.74 117.10 1x5g s LYS 80 Ca 0.63 -0.23 0.00 0.00 -1.01 0.00 0.00 55.97 55.36 1x5g s LYS 80 Cb -0.15 -3.44 0.00 0.00 -1.01 0.00 0.00 37.83 33.23 1x5g s LYS 80 CO 0.54 0.26 0.00 0.98 0.51 0.00 0.00 175.35 177.64 1x5g n TYR 81 N 3.66 -0.24 -4.32 3.18 9.36 -0.88 -4.87 117.16 123.04 1x5g n TYR 81 Ca -0.16 0.00 -0.32 0.00 3.32 0.00 0.00 57.90 60.74 1x5g n TYR 81 Cb 0.52 -2.16 -0.09 0.00 -0.63 0.00 0.00 39.34 36.98 1x5g n TYR 81 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 1x5g s THR 82 N -2.43 4.02 0.38 2.97 2.01 -1.26 -4.68 115.64 116.65 1x5g s THR 82 Ca 0.00 -0.66 -0.16 0.00 0.31 0.00 0.00 61.69 61.18 1x5g s THR 82 Cb 0.00 -2.78 -0.09 0.00 0.01 0.00 0.00 72.50 69.64 1x5g s THR 82 CO 0.00 0.37 0.83 -0.70 -0.69 0.00 0.00 174.62 174.43 1x5g s GLU 83 N -1.54 4.03 -0.16 4.92 2.12 -1.26 -1.35 118.70 125.45 1x5g s GLU 83 Ca 0.19 0.80 -0.08 0.00 0.36 0.00 0.00 54.97 56.24 1x5g s GLU 83 Cb -0.11 -2.32 0.06 0.00 0.26 0.00 0.00 34.13 32.01 1x5g s GLU 83 CO 0.10 0.03 0.38 0.71 -0.54 0.00 0.00 175.26 175.94 1x5g s TYR 84 N -2.16 -0.59 0.40 5.30 2.02 -0.42 -3.12 117.35 118.78 1x5g s TYR 84 Ca 0.56 1.25 -0.17 0.00 -0.37 0.00 0.00 57.07 58.34 1x5g s TYR 84 Cb -0.10 0.23 -0.09 0.00 -0.40 0.00 0.00 41.96 41.59 1x5g s TYR 84 CO 0.19 -0.36 0.86 0.45 -1.57 0.00 0.00 175.55 175.13 1x5g s SER 85 N 1.67 6.80 -0.07 2.29 0.15 0.16 -1.67 113.70 123.02 1x5g s SER 85 Ca -0.07 1.47 -0.06 0.00 0.70 0.00 0.00 55.95 57.98 1x5g s SER 85 Cb -0.10 -2.45 0.02 0.00 -1.71 0.00 0.00 66.02 61.78 1x5g s SER 85 CO -0.12 -0.33 0.19 -0.36 1.20 0.00 0.00 173.24 173.82 1x5g s PHE 86 N -2.18 -0.21 -0.15 3.44 0.08 -0.59 -2.27 117.98 116.10 1x5g s PHE 86 Ca 0.58 0.52 -0.12 0.00 0.12 0.00 0.00 56.93 58.02 1x5g s PHE 86 Cb -0.10 0.07 0.04 0.00 -0.57 0.00 0.00 43.02 42.46 1x5g s PHE 86 CO 0.19 -0.11 0.38 -0.98 -0.10 0.00 0.00 175.22 174.60 1x5g s ARG 87 N 0.17 0.43 -0.06 0.44 1.70 -1.20 0.51 118.95 120.95 1x5g s ARG 87 Ca -0.01 0.57 -0.03 0.00 -0.47 0.00 0.00 55.73 55.79 1x5g s ARG 87 Cb -0.02 0.17 -0.04 0.00 -0.57 0.00 0.00 34.95 34.49 1x5g s ARG 87 CO -0.00 -0.07 0.11 0.08 -1.08 0.00 0.00 175.30 174.33 1x5g s VAL 88 N 0.42 5.05 -0.01 4.99 1.01 -1.26 -1.55 120.40 129.05 1x5g s VAL 88 Ca -0.02 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 61.83 1x5g s VAL 88 Cb -0.04 -3.26 0.01 0.00 0.00 0.00 0.00 36.38 33.10 1x5g s VAL 88 CO -0.02 0.47 -0.01 -0.69 0.00 0.00 0.00 175.10 174.86 1x5g s VAL 89 N -1.12 0.16 -0.20 2.92 1.01 -0.77 -2.85 120.40 119.54 1x5g s VAL 89 Ca 0.20 -0.01 -0.19 0.00 0.00 0.00 0.00 61.98 61.98 1x5g s VAL 89 Cb -0.12 -0.19 -0.03 0.00 0.00 0.00 0.00 36.38 36.04 1x5g s VAL 89 CO 0.10 0.09 0.56 0.00 0.00 0.00 0.00 175.10 175.84 1x5g s ALA 90 N 0.42 3.54 -0.28 5.51 0.00 -1.26 -2.17 121.76 127.52 1x5g s ALA 90 Ca -0.04 -0.36 -0.02 0.00 0.00 0.00 0.00 51.96 51.54 1x5g s ALA 90 Cb -0.06 -2.87 0.03 0.00 0.00 0.00 0.00 23.12 20.22 1x5g s ALA 90 CO -0.01 -0.49 -0.02 0.71 0.00 0.00 0.00 175.76 175.96 1x5g s TYR 91 N 1.75 3.16 0.38 0.00 1.51 -1.23 -3.31 117.35 119.60 1x5g s TYR 91 Ca 0.26 -1.62 0.04 0.00 -1.01 0.00 0.00 57.07 54.74 1x5g s TYR 91 Cb -0.16 -2.10 -0.06 0.00 -0.11 0.00 0.00 41.96 39.53 1x5g s TYR 91 CO 0.10 -0.74 0.05 0.54 -1.11 0.00 0.00 175.55 174.38 1x5g s ASN 92 N 1.32 3.01 0.32 2.29 4.22 -1.26 -2.95 114.94 121.88 1x5g s ASN 92 Ca -0.02 -1.43 0.08 0.00 -2.14 0.00 0.00 52.86 49.34 1x5g s ASN 92 Cb -0.18 -0.06 0.90 0.00 1.28 0.00 0.00 41.25 43.19 1x5g s ASN 92 CO -0.02 -0.62 1.63 0.07 -2.04 0.00 0.00 177.10 176.12 1x5g h LYS 93 N 1.91 0.18 0.09 3.55 2.10 -1.95 -2.17 116.57 120.28 1x5g h LYS 93 Ca -0.41 -0.01 -0.00 0.00 -2.00 0.00 0.00 60.65 58.22 1x5g h LYS 93 Cb 1.25 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 1x5g h LYS 93 CO 0.72 0.12 -0.04 0.45 -2.00 0.00 0.00 179.45 178.69 1x5g h HIS 94 N 0.19 -0.12 0.00 0.07 3.86 -1.96 -3.49 115.15 113.70 1x5g h HIS 94 Ca 0.64 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.85 1x5g h HIS 94 Cb 1.42 0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.93 1x5g h HIS 94 CO -0.20 -0.07 0.00 0.41 0.86 0.00 0.00 177.93 178.93 1x5g n GLY 95 N -0.98 0.59 3.58 2.45 0.00 -0.82 -5.09 105.19 104.91 1x5g n GLY 95 Ca -0.02 -1.03 -0.41 0.00 0.00 0.00 0.00 46.02 44.57 1x5g n GLY 95 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5g s PRO 96 N -2.00 3.05 0.00 1.61 0.04 -1.26 -4.00 135.00 132.43 1x5g s PRO 96 Ca 0.00 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.03 1x5g s PRO 96 Cb 0.00 -4.26 0.00 0.00 0.04 0.00 0.00 34.50 30.28 1x5g s PRO 96 CO 0.00 -2.21 0.00 0.41 0.04 0.00 0.00 177.00 175.24 1x5g n GLY 97 N 5.50 -1.66 3.03 0.56 0.00 -1.21 -4.97 105.19 106.45 1x5g n GLY 97 Ca 0.21 -1.55 -0.36 0.00 0.00 0.00 0.00 46.02 44.32 1x5g n GLY 97 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1x5g n VAL 98 N -1.64 0.00 -5.13 1.61 0.24 -1.25 -4.79 118.33 107.37 1x5g n VAL 98 Ca 0.00 -0.45 -0.30 0.00 -2.04 0.00 0.00 64.34 61.55 1x5g n VAL 98 Cb 0.00 -0.05 -0.16 0.00 -1.47 0.00 0.00 33.84 32.15 1x5g n VAL 98 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1x5g s SER 99 N -1.08 2.81 0.93 -1.34 0.15 -1.26 -4.57 113.70 109.34 1x5g s SER 99 Ca 0.41 -0.48 -0.10 0.00 0.70 0.00 0.00 55.95 56.48 1x5g s SER 99 Cb -0.17 -0.90 0.15 0.00 -1.71 0.00 0.00 66.02 63.39 1x5g s SER 99 CO 0.81 0.20 1.13 0.35 1.20 0.00 0.00 173.24 176.93 1x5g n THR 100 N 3.15 0.00 -2.24 6.45 -2.24 -1.13 -4.94 114.28 113.32 1x5g n THR 100 Ca -0.18 -0.03 -0.41 0.00 -2.27 0.00 0.00 64.05 61.16 1x5g n THR 100 Cb 0.52 -0.99 -0.03 0.00 -2.10 0.00 0.00 70.33 67.73 1x5g n THR 100 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1x5g s PRO 101 N -4.61 4.44 0.26 -0.78 0.04 -1.26 -4.71 135.00 128.38 1x5g s PRO 101 Ca 0.67 2.06 -0.29 0.00 0.04 0.00 0.00 61.00 63.48 1x5g s PRO 101 Cb -0.23 -3.14 -0.14 0.00 0.04 0.00 0.00 34.50 31.02 1x5g s PRO 101 CO 0.59 -0.11 1.03 -0.40 0.04 0.00 0.00 177.00 178.14 1x5g n ASP 102 N 1.52 1.24 -3.89 6.66 5.75 -1.26 -4.76 116.55 121.81 1x5g n ASP 102 Ca 0.02 1.17 -0.29 0.00 -0.01 0.00 0.00 54.79 55.67 1x5g n ASP 102 Cb 0.43 -1.27 -0.13 0.00 -1.03 0.00 0.00 41.12 39.12 1x5g n ASP 102 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1x5g s VAL 103 N -0.88 2.41 0.11 2.12 1.01 0.18 -4.86 120.40 120.49 1x5g s VAL 103 Ca 0.61 -3.38 -0.28 0.00 0.00 0.00 0.00 61.98 58.94 1x5g s VAL 103 Cb -0.73 -2.65 -0.06 0.00 0.00 0.00 0.00 36.38 32.93 1x5g s VAL 103 CO 0.58 -0.87 0.87 0.00 0.00 0.00 0.00 175.10 175.69 1x5g s ALA 104 N -0.42 3.32 -0.12 5.51 0.00 -1.26 -1.54 121.76 127.26 1x5g s ALA 104 Ca 0.19 0.46 -0.10 0.00 0.00 0.00 0.00 51.96 52.52 1x5g s ALA 104 Cb -0.21 -3.14 0.03 0.00 0.00 0.00 0.00 23.12 19.80 1x5g s ALA 104 CO -0.04 0.07 0.30 0.54 0.00 0.00 0.00 175.76 176.64 1x5g s VAL 105 N -0.31 -0.01 0.01 0.00 0.11 -0.67 -4.91 120.40 114.62 1x5g s VAL 105 Ca 0.42 0.02 -0.18 0.00 -2.93 0.00 0.00 61.98 59.31 1x5g s VAL 105 Cb -0.23 -0.43 -0.06 0.00 -1.53 0.00 0.00 36.38 34.13 1x5g s VAL 105 CO 0.28 0.01 0.51 -0.60 -3.33 0.00 0.00 175.10 171.97 1x5g s ARG 106 N 0.36 4.16 0.76 1.54 3.52 -1.26 -1.30 118.95 126.74 1x5g s ARG 106 Ca -0.02 0.60 -0.12 0.00 -0.13 0.00 0.00 55.73 56.07 1x5g s ARG 106 Cb -0.03 -3.28 0.05 0.00 -1.56 0.00 0.00 34.95 30.12 1x5g s ARG 106 CO -0.01 0.53 1.12 0.95 -0.81 0.00 0.00 175.30 177.08 1x5g s THR 107 N -0.67 2.91 0.48 4.11 -4.23 -0.46 -4.69 115.64 113.08 1x5g s THR 107 Ca 0.27 0.29 -0.22 0.00 -1.18 0.00 0.00 61.69 60.85 1x5g s THR 107 Cb -0.18 -3.23 -0.07 0.00 1.34 0.00 0.00 72.50 70.36 1x5g s THR 107 CO 0.16 -0.39 1.19 -0.76 -0.54 0.00 0.00 174.62 174.28 1x5g s LEU 108 N -5.54 3.97 -0.25 4.79 1.43 -1.26 -2.98 118.68 118.84 1x5g s LEU 108 Ca 0.60 2.36 -0.13 0.00 -1.03 0.00 0.00 54.13 55.93 1x5g s LEU 108 Cb -0.12 -4.27 -0.04 0.00 0.03 0.00 0.00 46.19 41.78 1x5g s LEU 108 CO 0.52 -1.04 0.29 -0.55 0.23 0.00 0.00 176.35 175.80 1x5g s SER 109 N -1.34 6.20 0.28 2.29 0.15 -1.26 -2.08 113.70 117.95 1x5g s SER 109 Ca 0.65 0.22 0.07 0.00 0.70 0.00 0.00 55.95 57.60 1x5g s SER 109 Cb -0.30 -2.17 0.41 0.00 -1.71 0.00 0.00 66.02 62.25 1x5g s SER 109 CO 0.36 -0.08 1.66 -0.78 1.20 0.00 0.00 173.24 175.60 1x5g h ASP 110 N 7.92 0.20 -0.68 5.45 3.58 -1.93 -3.24 116.42 127.73 1x5g h ASP 110 Ca -0.35 -0.10 0.11 0.00 0.42 0.00 0.00 57.03 57.12 1x5g h ASP 110 Cb 1.17 -0.06 -0.12 0.00 1.72 0.00 0.00 39.33 42.04 1x5g h ASP 110 CO 0.64 0.66 -0.36 -1.28 -2.88 0.00 0.00 179.24 176.02 1x5g h SER 111 N 0.15 -1.27 0.00 2.28 0.87 -1.98 -3.46 113.55 110.14 1x5g h SER 111 Ca 0.01 0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1x5g h SER 111 Cb 0.92 0.63 0.00 0.00 -0.44 0.00 0.00 62.40 63.51 1x5g h SER 111 CO 0.07 -0.30 0.00 0.61 -0.53 0.00 0.00 176.83 176.68 1x5g n GLY 112 N -1.44 0.32 0.00 5.77 0.00 -1.22 -4.97 105.19 103.64 1x5g n GLY 112 Ca 0.05 -0.95 0.06 0.00 0.00 0.00 0.00 46.02 45.17 1x5g n GLY 112 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5g n PRO 113 N -0.28 0.49 -0.96 1.61 -0.04 -1.26 -4.75 135.00 129.81 1x5g n PRO 113 Ca 0.00 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 1x5g n PRO 113 Cb 0.00 -1.36 -0.09 0.00 -0.04 0.00 0.00 33.50 32.01 1x5g n PRO 113 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x5g n SER 114 N -0.86 0.47 -4.76 3.54 7.64 -1.26 -4.77 113.62 113.62 1x5g n SER 114 Ca 0.08 0.41 -0.41 0.00 1.01 0.00 0.00 58.87 59.96 1x5g n SER 114 Cb 0.04 -0.66 -0.01 0.00 -1.01 0.00 0.00 64.21 62.57 1x5g n SER 114 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x5g n SER 115 N 5.99 3.81 -0.77 6.43 2.88 -1.26 -5.11 113.62 125.59 1x5g n SER 115 Ca 0.42 1.20 0.10 0.00 -1.33 0.00 0.00 58.87 59.26 1x5g n SER 115 Cb -0.02 -1.61 0.08 0.00 -0.75 0.00 0.00 64.21 61.91 1x5g n SER 115 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42