#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 0.22 0.26 1.61 1.04 -1.26 -5.19 113.70 110.38 1x5g s SER 2 Ca 0.00 -1.13 -0.16 0.00 0.48 0.00 0.00 55.95 55.14 1x5g s SER 2 Cb 0.00 0.71 0.01 0.00 0.10 0.00 0.00 66.02 66.84 1x5g s SER 2 CO 0.00 -1.39 0.57 -0.55 0.98 0.00 0.00 173.24 172.85 1x5g s SER 3 N -3.09 -0.16 0.00 7.02 0.15 -1.26 -5.18 113.70 111.18 1x5g s SER 3 Ca 0.21 -0.80 0.00 0.00 0.70 0.00 0.00 55.95 56.07 1x5g s SER 3 Cb -0.03 0.64 0.00 0.00 -1.71 0.00 0.00 66.02 64.92 1x5g s SER 3 CO 0.13 -1.21 0.00 0.61 1.20 0.00 0.00 173.24 173.97 1x5g n GLY 4 N -0.41 2.95 3.55 9.45 0.00 -1.26 -5.14 105.19 114.34 1x5g n GLY 4 Ca -0.03 -0.72 -0.34 0.00 0.00 0.00 0.00 46.02 44.93 1x5g n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5g s SER 5 N 0.00 5.16 -0.05 1.61 0.15 -1.26 -5.10 113.70 114.22 1x5g s SER 5 Ca 0.00 -0.04 -0.03 0.00 0.70 0.00 0.00 55.95 56.57 1x5g s SER 5 Cb 0.00 -1.87 0.02 0.00 -1.71 0.00 0.00 66.02 62.47 1x5g s SER 5 CO 0.00 0.16 0.12 -0.55 1.20 0.00 0.00 173.24 174.18 1x5g s SER 6 N 0.42 -0.11 0.90 5.45 0.15 -1.26 -5.15 113.70 114.11 1x5g s SER 6 Ca -0.01 0.25 -0.14 0.00 0.70 0.00 0.00 55.95 56.75 1x5g s SER 6 Cb -0.13 0.20 -0.02 0.00 -1.71 0.00 0.00 66.02 64.36 1x5g s SER 6 CO 0.02 -0.09 0.18 0.61 1.20 0.00 0.00 173.24 175.16 1x5g n GLY 7 N 3.58 -2.47 3.70 9.45 0.00 -1.26 -4.84 105.19 113.35 1x5g n GLY 7 Ca -0.19 -0.67 -0.43 0.00 0.00 0.00 0.00 46.02 44.73 1x5g n GLY 7 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1x5g n ARG 8 N -0.61 2.17 -3.79 1.61 1.85 -1.26 -4.97 116.66 111.66 1x5g n ARG 8 Ca 0.06 0.76 -0.36 0.00 -1.00 0.00 0.00 57.85 57.31 1x5g n ARG 8 Cb 0.53 -2.38 -0.08 0.00 -1.05 0.00 0.00 32.46 29.49 1x5g n ARG 8 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1x5g s VAL 9 N -0.82 5.40 0.04 8.89 1.01 -1.26 -5.09 120.40 128.57 1x5g s VAL 9 Ca 0.58 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.75 1x5g s VAL 9 Cb -0.58 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.34 1x5g s VAL 9 CO 0.59 0.49 -0.04 -0.70 0.00 0.00 0.00 175.10 175.44 1x5g s GLU 10 N -0.05 0.48 -0.15 2.72 2.12 -1.26 -5.15 118.70 117.41 1x5g s GLU 10 Ca 0.10 -0.85 -0.00 0.00 0.36 0.00 0.00 54.97 54.58 1x5g s GLU 10 Cb -0.11 0.01 0.03 0.00 0.26 0.00 0.00 34.13 34.32 1x5g s GLU 10 CO -0.00 -0.04 -0.07 0.99 -0.54 0.00 0.00 175.26 175.61 1x5g s THR 11 N -2.19 1.10 0.40 -1.70 2.01 -1.26 -5.11 115.64 108.89 1x5g s THR 11 Ca -0.07 -0.50 -0.22 0.00 0.31 0.00 0.00 61.69 61.21 1x5g s THR 11 Cb -0.05 -1.21 -0.15 0.00 0.01 0.00 0.00 72.50 71.11 1x5g s THR 11 CO -0.03 0.23 0.16 0.00 -0.69 0.00 0.00 174.62 174.30 1x5g n GLN 12 N 4.90 0.08 -1.11 4.92 10.64 -1.26 -4.93 117.38 130.61 1x5g n GLN 12 Ca -0.12 0.03 -0.30 0.00 -1.83 0.00 0.00 57.00 54.78 1x5g n GLN 12 Cb 0.49 -1.07 0.22 0.00 -0.86 0.00 0.00 30.24 29.02 1x5g n GLN 12 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 1x5g s PRO 13 N -1.09 -0.79 0.24 2.61 0.04 -1.26 -5.09 135.00 129.66 1x5g s PRO 13 Ca 0.60 0.09 0.01 0.00 0.04 0.00 0.00 61.00 61.73 1x5g s PRO 13 Cb -0.64 -1.63 -0.05 0.00 0.04 0.00 0.00 34.50 32.22 1x5g s PRO 13 CO 0.62 -3.45 0.11 -1.21 0.04 0.00 0.00 177.00 173.10 1x5g s GLU 14 N -5.28 1.35 0.50 4.56 0.41 -1.26 -5.11 118.70 113.87 1x5g s GLU 14 Ca 0.69 -1.72 0.08 0.00 -0.41 0.00 0.00 54.97 53.61 1x5g s GLU 14 Cb -0.12 -0.10 0.03 0.00 -1.78 0.00 0.00 34.13 32.16 1x5g s GLU 14 CO 0.56 -0.33 0.55 0.14 -0.49 0.00 0.00 175.26 175.70 1x5g s VAL 15 N -3.88 2.32 -1.45 2.63 -7.23 -1.26 -4.62 120.40 106.92 1x5g s VAL 15 Ca 0.38 -1.21 -0.07 0.00 -1.81 0.00 0.00 61.98 59.28 1x5g s VAL 15 Cb 0.08 -2.53 0.01 0.00 0.56 0.00 0.00 36.38 34.49 1x5g s VAL 15 CO 0.13 0.00 0.95 0.00 -0.31 0.00 0.00 175.10 175.87 1x5g n GLN 16 N -1.88 -6.73 -1.82 4.82 6.02 -1.26 -4.87 117.38 111.66 1x5g n GLN 16 Ca 0.07 0.87 -0.31 0.00 -0.01 0.00 0.00 57.00 57.62 1x5g n GLN 16 Cb 0.62 -5.85 0.02 0.00 1.02 0.00 0.00 30.24 26.05 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 -7.06 3.16 0.00 1.08 1.02 -1.26 -4.51 118.68 111.11 1x5g s LEU 17 Ca 0.47 1.41 -0.13 0.00 0.02 0.00 0.00 54.13 55.90 1x5g s LEU 17 Cb -0.21 -4.39 0.20 0.00 0.02 0.00 0.00 46.19 41.81 1x5g s LEU 17 CO 0.58 -1.04 0.70 -0.81 0.02 0.00 0.00 176.35 175.80 1x5g n PRO 18 N -2.86 -2.39 -4.69 1.29 -0.04 -1.26 -4.39 135.00 120.66 1x5g n PRO 18 Ca 0.06 -1.12 -0.31 0.00 -0.04 0.00 0.00 63.50 62.10 1x5g n PRO 18 Cb 0.54 -1.05 -0.08 0.00 -0.04 0.00 0.00 33.50 32.88 1x5g n PRO 18 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1x5g s GLY 19 N -3.75 2.89 0.08 0.55 0.00 -1.26 -4.32 107.32 101.52 1x5g s GLY 19 Ca 0.45 -0.69 -0.31 0.00 0.00 0.00 0.00 44.72 44.18 1x5g s GLY 19 CO 0.35 -2.10 1.39 2.56 0.00 0.00 0.00 173.10 175.30 1x5g s PRO 20 N -3.83 4.32 -0.24 2.90 0.04 -1.26 -4.69 135.00 132.24 1x5g s PRO 20 Ca 0.12 2.03 -0.29 0.00 0.04 0.00 0.00 61.00 62.90 1x5g s PRO 20 Cb 0.02 -3.34 -0.06 0.00 0.04 0.00 0.00 34.50 31.16 1x5g s PRO 20 CO 0.07 -0.46 2.22 0.00 0.04 0.00 0.00 177.00 178.86 1x5g n ALA 21 N 4.34 1.66 -1.05 8.56 0.00 -1.26 -4.55 120.51 128.20 1x5g n ALA 21 Ca 0.12 -0.21 -0.17 0.00 0.00 0.00 0.00 53.44 53.18 1x5g n ALA 21 Cb 0.43 -2.85 0.21 0.00 0.00 0.00 0.00 19.45 17.24 1x5g n ALA 21 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1x5g n PRO 22 N 8.64 -2.84 -4.30 0.00 -0.04 -1.22 -4.08 135.00 131.16 1x5g n PRO 22 Ca 0.32 -1.50 -0.35 0.00 -0.04 0.00 0.00 63.50 61.93 1x5g n PRO 22 Cb 0.41 -1.40 -0.06 0.00 -0.04 0.00 0.00 33.50 32.41 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 -4.60 -1.40 -4.58 3.54 5.03 -1.26 -1.22 115.26 110.77 1x5g n ASN 23 Ca 0.13 -1.14 -0.42 0.00 0.87 0.00 0.00 54.58 54.02 1x5g n ASN 23 Cb 0.50 -2.19 -0.03 0.00 -1.02 0.00 0.00 39.78 37.05 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 -7.24 3.43 -0.04 3.41 2.96 -1.26 -3.95 118.68 115.98 1x5g s LEU 24 Ca 0.48 0.28 0.01 0.00 -0.22 0.00 0.00 54.13 54.68 1x5g s LEU 24 Cb -0.27 -3.11 0.02 0.00 0.50 0.00 0.00 46.19 43.32 1x5g s LEU 24 CO 0.97 -1.64 -0.05 0.00 -1.32 0.00 0.00 176.35 174.31 1x5g s ARG 25 N 5.34 0.91 -0.01 1.98 1.70 -0.87 -5.01 118.95 123.00 1x5g s ARG 25 Ca 0.51 -0.15 0.05 0.00 -0.47 0.00 0.00 55.73 55.67 1x5g s ARG 25 Cb -0.10 -0.88 -0.01 0.00 -0.57 0.00 0.00 34.95 33.38 1x5g s ARG 25 CO 0.26 -0.06 -0.17 0.00 -1.08 0.00 0.00 175.30 174.25 1x5g s ALA 26 N 0.82 1.43 -0.05 7.88 0.00 -1.26 -1.03 121.76 129.55 1x5g s ALA 26 Ca -0.12 -0.77 -0.04 0.00 0.00 0.00 0.00 51.96 51.04 1x5g s ALA 26 Cb -0.14 -0.35 0.02 0.00 0.00 0.00 0.00 23.12 22.65 1x5g s ALA 26 CO 0.01 0.34 0.13 1.52 0.00 0.00 0.00 175.76 177.76 1x5g s TYR 27 N -0.46 -0.14 -0.59 0.00 -0.85 -0.77 -4.99 117.35 109.55 1x5g s TYR 27 Ca 0.06 0.37 -0.28 0.00 -0.52 0.00 0.00 57.07 56.70 1x5g s TYR 27 Cb -0.07 0.01 0.03 0.00 0.38 0.00 0.00 41.96 42.31 1x5g s TYR 27 CO -0.00 -0.09 1.20 0.00 -1.52 0.00 0.00 175.55 175.13 1x5g s ALA 28 N 0.39 2.99 0.25 9.51 0.00 -1.26 -0.69 121.76 132.95 1x5g s ALA 28 Ca -0.03 -0.85 0.18 0.00 0.00 0.00 0.00 51.96 51.27 1x5g s ALA 28 Cb -0.04 -4.05 0.76 0.00 0.00 0.00 0.00 23.12 19.79 1x5g s ALA 28 CO -0.02 -2.69 1.78 0.00 0.00 0.00 0.00 175.76 174.84 1x5g h ALA 29 N 9.56 1.11 -2.54 0.00 0.00 -1.87 -3.44 119.26 122.09 1x5g h ALA 29 Ca -0.25 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.25 1x5g h ALA 29 Cb 1.06 -0.06 -0.14 0.00 0.00 0.00 0.00 17.79 18.65 1x5g h ALA 29 CO 1.19 0.45 -0.34 -1.12 0.00 0.00 0.00 179.25 179.44 1x5g s SER 30 N -6.54 0.08 0.00 0.00 0.01 -0.70 -5.00 113.70 101.55 1x5g s SER 30 Ca -0.01 -0.62 0.15 0.00 1.31 0.00 0.00 55.95 56.77 1x5g s SER 30 Cb 0.12 0.36 0.77 0.00 0.21 0.00 0.00 66.02 67.47 1x5g s SER 30 CO 0.69 -0.75 1.40 -0.81 0.41 0.00 0.00 173.24 174.18 1x5g n PRO 31 N -0.08 0.24 0.00 12.44 -0.04 -1.26 -2.35 135.00 143.95 1x5g n PRO 31 Ca -0.15 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 1x5g n PRO 31 Cb 0.63 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 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 -1.25 0.00 -3.93 0.52 -2.24 -1.26 -3.33 114.28 102.79 1x5g n THR 32 Ca 0.08 -0.39 -0.10 0.00 -2.27 0.00 0.00 64.05 61.37 1x5g n THR 32 Cb 0.11 1.07 -0.09 0.00 -2.10 0.00 0.00 70.33 69.31 1x5g n THR 32 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1x5g s SER 33 N -0.54 0.17 0.08 3.42 0.01 -0.99 0.05 113.70 115.91 1x5g s SER 33 Ca 0.00 -0.50 0.05 0.00 1.31 0.00 0.00 55.95 56.82 1x5g s SER 33 Cb 0.00 0.22 -0.03 0.00 0.21 0.00 0.00 66.02 66.41 1x5g s SER 33 CO 0.00 -0.48 -0.14 -0.63 0.41 0.00 0.00 173.24 172.40 1x5g s ILE 34 N -2.40 1.16 -0.38 1.44 1.01 0.10 -1.72 121.20 120.43 1x5g s ILE 34 Ca -0.07 -1.43 0.02 0.00 0.00 0.00 0.00 60.65 59.17 1x5g s ILE 34 Cb -0.02 -1.21 0.11 0.00 0.01 0.00 0.00 42.46 41.35 1x5g s ILE 34 CO -0.04 -0.28 0.12 -0.89 0.00 0.00 0.00 174.94 173.84 1x5g s THR 35 N -1.54 2.63 -0.08 2.92 2.01 0.14 -0.27 115.64 121.45 1x5g s THR 35 Ca 0.01 -2.32 -0.20 0.00 0.31 0.00 0.00 61.69 59.49 1x5g s THR 35 Cb -0.08 -2.88 -0.04 0.00 0.01 0.00 0.00 72.50 69.50 1x5g s THR 35 CO 0.02 -0.64 0.56 -0.69 -0.69 0.00 0.00 174.62 173.18 1x5g s VAL 36 N 0.90 5.09 0.17 3.82 1.01 -0.68 -1.85 120.40 128.85 1x5g s VAL 36 Ca 0.11 1.14 0.08 0.00 0.00 0.00 0.00 61.98 63.31 1x5g s VAL 36 Cb -0.21 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 1x5g s VAL 36 CO -0.06 0.33 -0.17 0.42 0.00 0.00 0.00 175.10 175.62 1x5g s THR 37 N 0.45 1.77 0.16 3.92 -4.23 -0.19 -1.78 115.64 115.73 1x5g s THR 37 Ca 0.30 -1.94 -0.24 0.00 -1.18 0.00 0.00 61.69 58.63 1x5g s THR 37 Cb -0.16 -1.84 0.06 0.00 1.34 0.00 0.00 72.50 71.89 1x5g s THR 37 CO 0.14 -0.36 0.77 -1.66 -0.54 0.00 0.00 174.62 172.97 1x5g s TRP 38 N -2.19 -0.31 0.34 3.99 -2.14 -1.19 -2.04 118.94 115.41 1x5g s TRP 38 Ca 0.16 0.02 0.08 0.00 2.66 0.00 0.00 56.10 59.02 1x5g s TRP 38 Cb -0.05 0.62 -0.05 0.00 -3.10 0.00 0.00 33.47 30.89 1x5g s TRP 38 CO 0.06 -0.90 0.09 -1.21 -2.66 0.00 0.00 176.95 172.33 1x5g s GLU 39 N -3.58 2.25 -0.01 3.25 0.41 -0.35 -4.78 118.70 115.89 1x5g s GLU 39 Ca 0.07 -1.64 -0.24 0.00 -0.41 0.00 0.00 54.97 52.75 1x5g s GLU 39 Cb -0.03 -2.07 -0.05 0.00 -1.78 0.00 0.00 34.13 30.21 1x5g s GLU 39 CO -0.03 0.11 0.72 0.99 -0.49 0.00 0.00 175.26 176.57 1x5g s THR 40 N -2.47 4.89 -0.09 3.63 2.01 -1.26 -3.37 115.64 118.98 1x5g s THR 40 Ca 0.37 1.52 -0.30 0.00 0.31 0.00 0.00 61.69 63.59 1x5g s THR 40 Cb -0.01 -4.07 -0.04 0.00 0.01 0.00 0.00 72.50 68.39 1x5g s THR 40 CO 0.21 0.32 1.52 -2.16 -0.69 0.00 0.00 174.62 173.82 1x5g s PRO 41 N 0.30 4.20 0.35 4.92 0.04 -1.26 -4.67 135.00 138.87 1x5g s PRO 41 Ca 0.38 2.01 0.19 0.00 0.04 0.00 0.00 61.00 63.61 1x5g s PRO 41 Cb -0.19 -3.90 0.33 0.00 0.04 0.00 0.00 34.50 30.77 1x5g s PRO 41 CO 0.20 -0.79 1.57 -0.39 0.04 0.00 0.00 177.00 177.63 1x5g h VAL 42 N 5.53 0.61 -0.55 -0.36 -1.51 -1.95 -3.26 116.25 114.76 1x5g h VAL 42 Ca -0.35 -1.71 -0.03 0.00 -1.23 0.00 0.00 66.70 63.38 1x5g h VAL 42 Cb 1.15 2.18 -0.02 0.00 -2.13 0.00 0.00 31.29 32.47 1x5g h VAL 42 CO 0.96 0.33 0.22 -1.28 -1.23 0.00 0.00 177.57 176.56 1x5g h SER 43 N 0.00 0.75 -2.90 4.19 0.87 -1.96 -3.44 113.55 111.06 1x5g h SER 43 Ca -0.00 -0.17 -0.50 0.00 -1.23 0.00 0.00 61.79 59.89 1x5g h SER 43 Cb 1.16 -0.20 0.22 0.00 -0.44 0.00 0.00 62.40 63.14 1x5g h SER 43 CO 0.04 0.72 -0.81 0.61 -0.53 0.00 0.00 176.83 176.87 1x5g n GLY 44 N -0.81 -2.24 3.89 5.77 0.00 -1.23 -4.88 105.19 105.68 1x5g n GLY 44 Ca 0.03 -0.77 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 1x5g n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x5g s ASN 45 N -1.94 6.31 0.00 1.61 4.22 -1.26 -4.92 114.94 118.95 1x5g s ASN 45 Ca 0.57 1.07 0.00 0.00 -2.14 0.00 0.00 52.86 52.36 1x5g s ASN 45 Cb -0.17 -2.31 0.00 0.00 1.28 0.00 0.00 41.25 40.05 1x5g s ASN 45 CO 0.67 -0.60 0.00 0.61 -2.04 0.00 0.00 177.10 175.73 1x5g n GLY 46 N -2.18 1.76 3.20 0.45 0.00 -1.26 -4.53 105.19 102.63 1x5g n GLY 46 Ca 0.02 -0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 1x5g n GLY 46 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x5g s GLU 47 N 0.00 1.31 0.28 1.61 2.12 -1.26 -5.08 118.70 117.68 1x5g s GLU 47 Ca 0.00 -0.81 -0.29 0.00 0.36 0.00 0.00 54.97 54.23 1x5g s GLU 47 Cb 0.00 -1.35 -0.10 0.00 0.26 0.00 0.00 34.13 32.94 1x5g s GLU 47 CO 0.00 0.35 1.34 0.42 -0.54 0.00 0.00 175.26 176.83 1x5g s ILE 48 N -0.69 2.82 -0.05 -3.70 -1.09 -1.26 -4.96 121.20 112.27 1x5g s ILE 48 Ca 0.06 0.75 -0.13 0.00 -2.23 0.00 0.00 60.65 59.10 1x5g s ILE 48 Cb -0.08 -3.48 -0.08 0.00 -1.58 0.00 0.00 42.46 37.24 1x5g s ILE 48 CO 0.01 0.15 0.54 1.56 -1.23 0.00 0.00 174.94 175.97 1x5g h GLN 49 N 4.24 -0.43 -4.76 2.79 1.08 -1.87 -3.48 115.11 112.68 1x5g h GLN 49 Ca -0.47 0.03 -0.31 0.00 -1.45 0.00 0.00 58.65 56.45 1x5g h GLN 49 Cb 1.22 0.10 -0.15 0.00 -0.05 0.00 0.00 27.48 28.60 1x5g h GLN 49 CO 0.71 -0.26 -0.61 1.21 -0.95 0.00 0.00 178.83 178.93 1x5g s ASN 50 N -5.06 0.78 -0.06 1.46 2.47 -1.12 -5.07 114.94 108.35 1x5g s ASN 50 Ca -0.07 -1.40 0.04 0.00 0.42 0.00 0.00 52.86 51.85 1x5g s ASN 50 Cb 0.01 0.26 0.00 0.00 -1.45 0.00 0.00 41.25 40.07 1x5g s ASN 50 CO 0.22 -0.78 -0.16 -0.31 -3.72 0.00 0.00 177.10 172.34 1x5g s TYR 51 N -3.91 1.73 -0.18 0.43 2.02 -1.25 -2.91 117.35 113.28 1x5g s TYR 51 Ca 0.38 -0.58 -0.04 0.00 -0.37 0.00 0.00 57.07 56.46 1x5g s TYR 51 Cb 0.07 -1.19 -0.02 0.00 -0.40 0.00 0.00 41.96 40.41 1x5g s TYR 51 CO 0.13 -0.24 -0.02 0.21 -1.57 0.00 0.00 175.55 174.06 1x5g s LYS 52 N 0.29 3.63 -0.07 -0.62 2.20 -0.47 -3.25 119.74 121.46 1x5g s LYS 52 Ca -0.10 -0.53 0.05 0.00 -0.36 0.00 0.00 55.97 55.04 1x5g s LYS 52 Cb -0.14 -2.99 -0.01 0.00 -1.51 0.00 0.00 37.83 33.18 1x5g s LYS 52 CO 0.04 0.12 -0.22 -1.17 -0.36 0.00 0.00 175.35 173.75 1x5g s LEU 53 N 0.71 2.23 0.28 5.43 2.96 -1.21 -0.29 118.68 128.79 1x5g s LEU 53 Ca -0.01 -0.46 0.09 0.00 -0.22 0.00 0.00 54.13 53.53 1x5g s LEU 53 Cb -0.14 -1.43 -0.04 0.00 0.50 0.00 0.00 46.19 45.08 1x5g s LEU 53 CO 0.02 0.24 0.08 -0.31 -1.32 0.00 0.00 176.35 175.05 1x5g s TYR 54 N -0.11 2.78 -0.28 5.38 1.51 -0.64 -1.39 117.35 124.60 1x5g s TYR 54 Ca -0.05 -0.25 -0.14 0.00 -1.01 0.00 0.00 57.07 55.63 1x5g s TYR 54 Cb -0.14 -1.36 0.09 0.00 -0.11 0.00 0.00 41.96 40.44 1x5g s TYR 54 CO 0.04 0.52 0.66 1.52 -1.11 0.00 0.00 175.55 177.18 1x5g s TYR 55 N -2.32 -1.13 0.12 2.71 1.13 -1.22 -3.49 117.35 113.14 1x5g s TYR 55 Ca 0.33 2.15 -0.12 0.00 -1.41 0.00 0.00 57.07 58.02 1x5g s TYR 55 Cb -0.06 0.67 0.02 0.00 -1.10 0.00 0.00 41.96 41.49 1x5g s TYR 55 CO 0.22 -0.56 0.31 0.00 -2.51 0.00 0.00 175.55 173.00 1x5g s MET 56 N 2.04 1.00 -0.02 -3.49 0.23 -0.91 -3.15 119.30 114.99 1x5g s MET 56 Ca -0.09 -0.86 -0.22 0.00 -1.03 0.00 0.00 55.69 53.50 1x5g s MET 56 Cb -0.07 0.41 -0.05 0.00 -1.53 0.00 0.00 34.83 33.59 1x5g s MET 56 CO -0.19 -0.36 0.64 -2.00 -2.03 0.00 0.00 175.02 171.07 1x5g s GLU 57 N -3.84 4.38 -0.62 3.16 2.12 -1.26 0.22 118.70 122.85 1x5g s GLU 57 Ca 0.05 0.80 -0.27 0.00 0.36 0.00 0.00 54.97 55.92 1x5g s GLU 57 Cb 0.03 -3.38 -0.11 0.00 0.26 0.00 0.00 34.13 30.93 1x5g s GLU 57 CO -0.10 0.26 2.47 1.17 -0.54 0.00 0.00 175.26 178.52 1x5g n LYS 58 N 3.07 0.78 0.00 4.30 3.00 -1.19 -1.72 118.16 126.39 1x5g n LYS 58 Ca -0.05 -0.07 0.00 0.00 -0.00 0.00 0.00 58.31 58.19 1x5g n LYS 58 Cb 0.51 -3.04 0.00 0.00 0.00 0.00 0.00 35.03 32.50 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 6.15 1.99 0.00 3.14 0.00 -1.26 -5.01 105.19 110.21 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 -0.12 0.06 -1.95 2.61 -1.04 -0.70 -5.02 114.28 108.13 1x5g n THR 60 Ca 0.00 -0.04 -0.18 0.00 -2.04 0.00 0.00 64.05 61.80 1x5g n THR 60 Cb 0.00 -0.92 -0.04 0.00 -1.82 0.00 0.00 70.33 67.55 1x5g n THR 60 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1x5g n ASP 61 N -2.09 -5.14 -3.36 8.00 9.92 -1.26 -4.95 116.55 117.66 1x5g n ASP 61 Ca -0.01 0.20 -0.12 0.00 -0.53 0.00 0.00 54.79 54.32 1x5g n ASP 61 Cb 0.53 -4.21 -0.08 0.00 -0.64 0.00 0.00 41.12 36.72 1x5g n ASP 61 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1x5g s LYS 62 N -4.23 0.34 0.21 -1.24 2.47 -1.26 -5.15 119.74 110.88 1x5g s LYS 62 Ca 0.00 0.24 0.06 0.00 -1.56 0.00 0.00 55.97 54.70 1x5g s LYS 62 Cb 0.00 -0.55 -0.04 0.00 -1.46 0.00 0.00 37.83 35.79 1x5g s LYS 62 CO 0.00 -0.84 0.20 -1.83 0.16 0.00 0.00 175.35 173.04 1x5g s GLU 63 N 2.48 3.01 0.42 4.03 1.03 -1.26 -4.70 118.70 123.71 1x5g s GLU 63 Ca 0.10 -0.91 0.03 0.00 0.03 0.00 0.00 54.97 54.22 1x5g s GLU 63 Cb -0.14 -2.67 0.03 0.00 -0.80 0.00 0.00 34.13 30.55 1x5g s GLU 63 CO -0.23 0.45 0.24 1.04 -1.33 0.00 0.00 175.26 175.42 1x5g n GLN 64 N -0.82 0.91 -3.89 -4.83 6.02 -1.19 -4.94 117.38 108.64 1x5g n GLN 64 Ca -0.08 -2.70 -0.16 0.00 -0.01 0.00 0.00 57.00 54.05 1x5g n GLN 64 Cb 0.56 0.40 -0.16 0.00 1.02 0.00 0.00 30.24 32.06 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 -3.40 0.32 -0.12 1.08 1.47 -1.26 -3.46 116.67 111.29 1x5g s ASP 65 Ca 0.18 -0.01 0.03 0.00 1.18 0.00 0.00 52.55 53.93 1x5g s ASP 65 Cb -0.01 -0.18 0.01 0.00 -0.34 0.00 0.00 42.92 42.39 1x5g s ASP 65 CO 0.12 -0.11 -0.21 0.68 0.68 0.00 0.00 175.17 176.33 1x5g s VAL 66 N 1.02 1.90 -0.14 2.11 -7.23 -0.49 -5.00 120.40 112.57 1x5g s VAL 66 Ca -0.10 -0.90 -0.29 0.00 -1.81 0.00 0.00 61.98 58.88 1x5g s VAL 66 Cb -0.13 -1.68 -0.03 0.00 0.56 0.00 0.00 36.38 35.10 1x5g s VAL 66 CO -0.02 0.52 1.43 -1.81 -0.31 0.00 0.00 175.10 174.91 1x5g s ASP 67 N 0.69 6.79 0.12 4.85 1.01 -1.26 -3.31 116.67 125.55 1x5g s ASP 67 Ca -0.11 1.85 0.08 0.00 0.71 0.00 0.00 52.55 55.08 1x5g s ASP 67 Cb -0.16 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.20 1x5g s ASP 67 CO 0.02 -0.87 -0.19 -0.69 0.21 0.00 0.00 175.17 173.65 1x5g s VAL 68 N 3.87 1.65 -0.10 -1.27 1.01 -1.20 -5.05 120.40 119.30 1x5g s VAL 68 Ca 0.63 -1.64 0.03 0.00 0.00 0.00 0.00 61.98 61.00 1x5g s VAL 68 Cb -0.26 -1.59 -0.09 0.00 0.00 0.00 0.00 36.38 34.45 1x5g s VAL 68 CO 0.21 -0.18 -0.05 -1.54 0.00 0.00 0.00 175.10 173.54 1x5g n SER 69 N 0.84 3.01 -4.62 3.32 3.41 -1.26 -3.76 113.62 114.56 1x5g n SER 69 Ca -0.18 -0.04 -0.28 0.00 -0.26 0.00 0.00 58.87 58.11 1x5g n SER 69 Cb 0.55 0.14 0.12 0.00 -0.26 0.00 0.00 64.21 64.76 1x5g n SER 69 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x5g s SER 70 N -4.74 4.07 0.14 4.04 0.01 -1.26 -4.91 113.70 111.06 1x5g s SER 70 Ca -0.11 0.43 0.15 0.00 1.31 0.00 0.00 55.95 57.72 1x5g s SER 70 Cb 0.03 -0.79 -0.08 0.00 0.21 0.00 0.00 66.02 65.39 1x5g s SER 70 CO 0.30 -2.12 1.09 0.45 0.41 0.00 0.00 173.24 173.37 1x5g h HIS 71 N -1.12 0.00 -3.32 2.43 -0.00 -1.96 -3.44 115.15 107.74 1x5g h HIS 71 Ca -0.44 0.00 -0.67 0.00 -0.00 0.00 0.00 60.37 59.26 1x5g h HIS 71 Cb 1.29 0.00 -0.34 0.00 -0.00 0.00 0.00 27.41 28.36 1x5g h HIS 71 CO -0.24 0.63 -0.81 -1.54 -0.00 0.00 0.00 177.93 175.98 1x5g s SER 72 N -6.17 3.71 0.19 2.45 1.04 -1.26 -3.19 113.70 110.48 1x5g s SER 72 Ca -0.00 -0.79 0.08 0.00 0.48 0.00 0.00 55.95 55.72 1x5g s SER 72 Cb 0.08 -1.56 -0.04 0.00 0.10 0.00 0.00 66.02 64.61 1x5g s SER 72 CO 0.79 -0.06 -0.00 -0.47 0.98 0.00 0.00 173.24 174.48 1x5g s TYR 73 N 1.29 2.81 -0.25 5.02 5.04 -0.73 -5.00 117.35 125.53 1x5g s TYR 73 Ca 0.02 -0.16 0.02 0.00 -2.44 0.00 0.00 57.07 54.51 1x5g s TYR 73 Cb -0.15 -1.34 0.06 0.00 0.35 0.00 0.00 41.96 40.88 1x5g s TYR 73 CO -0.09 0.54 -0.07 0.99 -1.34 0.00 0.00 175.55 175.58 1x5g s THR 74 N -1.85 1.78 -0.14 4.34 2.01 -1.26 -1.69 115.64 118.82 1x5g s THR 74 Ca 0.28 -1.42 -0.20 0.00 0.31 0.00 0.00 61.69 60.66 1x5g s THR 74 Cb -0.09 -2.00 -0.03 0.00 0.01 0.00 0.00 72.50 70.39 1x5g s THR 74 CO 0.19 -0.11 0.59 -0.63 -0.69 0.00 0.00 174.62 173.97 1x5g s ILE 75 N 1.27 5.09 0.13 1.82 1.01 0.63 -4.91 121.20 126.24 1x5g s ILE 75 Ca -0.06 1.16 0.10 0.00 0.00 0.00 0.00 60.65 61.84 1x5g s ILE 75 Cb -0.19 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.32 1x5g s ILE 75 CO -0.06 0.23 -0.20 0.20 0.00 0.00 0.00 174.94 175.10 1x5g s ASN 76 N 0.89 3.72 0.00 3.58 0.01 -1.26 0.02 114.94 121.90 1x5g s ASN 76 Ca 0.30 -0.64 0.00 0.00 -0.71 0.00 0.00 52.86 51.81 1x5g s ASN 76 Cb -0.16 -0.44 0.00 0.00 0.41 0.00 0.00 41.25 41.06 1x5g s ASN 76 CO 0.12 0.17 0.00 0.61 -1.51 0.00 0.00 177.10 176.49 1x5g n GLY 77 N 0.73 0.60 3.35 0.66 0.00 0.24 -4.97 105.19 105.80 1x5g n GLY 77 Ca -0.16 -0.24 -0.19 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.27 2.53 1.02 0.99 1.43 0.11 -5.02 118.68 119.46 1x5g s LEU 78 Ca 0.00 -1.06 -0.15 0.00 -1.03 0.00 0.00 54.13 51.90 1x5g s LEU 78 Cb 0.00 -0.63 0.20 0.00 0.03 0.00 0.00 46.19 45.79 1x5g s LEU 78 CO 0.00 -0.22 1.14 -0.54 0.23 0.00 0.00 176.35 176.96 1x5g s LYS 79 N -3.67 0.28 -0.11 1.70 1.02 -1.26 -4.21 119.74 113.47 1x5g s LYS 79 Ca 0.24 0.16 -0.09 0.00 0.02 0.00 0.00 55.97 56.29 1x5g s LYS 79 Cb 0.01 -1.75 -0.04 0.00 -0.52 0.00 0.00 37.83 35.52 1x5g s LYS 79 CO 0.07 -2.76 0.20 0.15 -0.92 0.00 0.00 175.35 172.10 1x5g s LYS 80 N -5.31 3.71 -1.49 1.68 3.01 -1.21 -4.29 119.74 115.83 1x5g s LYS 80 Ca 0.67 -0.03 -0.07 0.00 -1.01 0.00 0.00 55.97 55.54 1x5g s LYS 80 Cb -0.13 -3.25 0.02 0.00 -1.01 0.00 0.00 37.83 33.46 1x5g s LYS 80 CO 0.55 0.64 0.75 0.98 0.51 0.00 0.00 175.35 178.78 1x5g n TYR 81 N 2.33 -2.19 -5.15 3.18 9.36 -0.72 -4.93 117.16 119.04 1x5g n TYR 81 Ca -0.18 0.65 -0.32 0.00 3.32 0.00 0.00 57.90 61.38 1x5g n TYR 81 Cb 0.54 -4.46 -0.15 0.00 -0.63 0.00 0.00 39.34 34.63 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 -3.20 2.39 0.40 2.97 2.01 -1.26 -4.83 115.64 114.11 1x5g s THR 82 Ca 0.40 -0.96 -0.18 0.00 0.31 0.00 0.00 61.69 61.26 1x5g s THR 82 Cb -0.18 -1.88 -0.10 0.00 0.01 0.00 0.00 72.50 70.35 1x5g s THR 82 CO 0.49 0.58 0.87 -0.70 -0.69 0.00 0.00 174.62 175.17 1x5g s GLU 83 N -0.44 4.10 -0.13 4.92 2.12 -1.26 -2.41 118.70 125.60 1x5g s GLU 83 Ca 0.05 0.91 -0.08 0.00 0.36 0.00 0.00 54.97 56.21 1x5g s GLU 83 Cb -0.12 -2.28 0.05 0.00 0.26 0.00 0.00 34.13 32.04 1x5g s GLU 83 CO 0.01 0.02 0.33 0.71 -0.54 0.00 0.00 175.26 175.79 1x5g s TYR 84 N -2.15 -0.44 0.14 5.30 2.02 -0.17 -3.17 117.35 118.88 1x5g s TYR 84 Ca 0.58 1.00 -0.26 0.00 -0.37 0.00 0.00 57.07 58.02 1x5g s TYR 84 Cb -0.10 0.15 -0.07 0.00 -0.40 0.00 0.00 41.96 41.54 1x5g s TYR 84 CO 0.17 -0.26 0.82 0.45 -1.57 0.00 0.00 175.55 175.16 1x5g s SER 85 N 1.02 7.40 -0.02 2.29 0.15 0.13 -1.58 113.70 123.10 1x5g s SER 85 Ca -0.07 1.67 0.02 0.00 0.70 0.00 0.00 55.95 58.27 1x5g s SER 85 Cb -0.07 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 1x5g s SER 85 CO -0.08 0.13 -0.07 -0.36 1.20 0.00 0.00 173.24 174.06 1x5g s PHE 86 N -0.79 0.71 -0.04 3.44 0.08 -1.03 -2.15 117.98 118.20 1x5g s PHE 86 Ca 0.38 -0.15 -0.07 0.00 0.12 0.00 0.00 56.93 57.21 1x5g s PHE 86 Cb -0.23 -0.51 0.01 0.00 -0.57 0.00 0.00 43.02 41.73 1x5g s PHE 86 CO 0.27 -0.06 0.17 -0.98 -0.10 0.00 0.00 175.22 174.52 1x5g s ARG 87 N 0.12 0.32 -0.11 0.44 1.70 -1.23 0.39 118.95 120.58 1x5g s ARG 87 Ca -0.01 0.02 -0.01 0.00 -0.47 0.00 0.00 55.73 55.26 1x5g s ARG 87 Cb -0.06 0.14 -0.02 0.00 -0.57 0.00 0.00 34.95 34.44 1x5g s ARG 87 CO -0.00 -0.06 -0.08 0.08 -1.08 0.00 0.00 175.30 174.16 1x5g s VAL 88 N -0.46 3.52 -0.01 4.99 1.01 -1.26 -1.62 120.40 126.58 1x5g s VAL 88 Ca -0.05 -0.51 0.07 0.00 0.00 0.00 0.00 61.98 61.49 1x5g s VAL 88 Cb -0.04 -2.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.84 1x5g s VAL 88 CO 0.01 0.54 -0.24 -0.69 0.00 0.00 0.00 175.10 174.72 1x5g s VAL 89 N -0.07 1.88 -0.08 2.92 1.01 0.61 -2.66 120.40 124.01 1x5g s VAL 89 Ca -0.00 -1.06 -0.11 0.00 0.00 0.00 0.00 61.98 60.80 1x5g s VAL 89 Cb -0.13 -1.57 -0.05 0.00 0.00 0.00 0.00 36.38 34.63 1x5g s VAL 89 CO 0.03 0.49 0.27 0.00 0.00 0.00 0.00 175.10 175.89 1x5g s ALA 90 N -0.60 3.76 -0.10 5.51 0.00 -1.26 -1.36 121.76 127.71 1x5g s ALA 90 Ca 0.09 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.60 1x5g s ALA 90 Cb -0.09 -2.20 0.02 0.00 0.00 0.00 0.00 23.12 20.85 1x5g s ALA 90 CO -0.00 0.47 -0.08 0.71 0.00 0.00 0.00 175.76 176.86 1x5g s TYR 91 N -0.79 1.45 0.33 0.00 1.51 -1.15 -3.20 117.35 115.50 1x5g s TYR 91 Ca 0.18 -0.68 0.03 0.00 -1.01 0.00 0.00 57.07 55.59 1x5g s TYR 91 Cb -0.14 -1.18 -0.05 0.00 -0.11 0.00 0.00 41.96 40.48 1x5g s TYR 91 CO 0.07 -0.46 0.09 -0.80 -1.11 0.00 0.00 175.55 173.34 1x5g s ASN 92 N 1.50 2.13 0.29 2.29 -0.87 -1.25 -2.41 114.94 116.62 1x5g s ASN 92 Ca 0.01 -1.45 0.04 0.00 -1.57 0.00 0.00 52.86 49.89 1x5g s ASN 92 Cb -0.13 0.13 0.72 0.00 -0.02 0.00 0.00 41.25 41.95 1x5g s ASN 92 CO -0.06 -0.72 1.73 0.07 -2.57 0.00 0.00 177.10 175.55 1x5g h LYS 93 N 2.11 0.53 0.90 -0.60 2.10 -1.99 -2.19 116.57 117.43 1x5g h LYS 93 Ca -0.39 -0.03 -0.04 0.00 -2.00 0.00 0.00 60.65 58.19 1x5g h LYS 93 Cb 1.25 -0.12 0.01 0.00 -0.90 0.00 0.00 32.23 32.47 1x5g h LYS 93 CO 0.64 0.35 -0.43 0.45 -2.00 0.00 0.00 179.45 178.46 1x5g h HIS 94 N 0.55 -1.12 0.00 0.07 3.86 -1.92 -3.49 115.15 113.10 1x5g h HIS 94 Ca 0.56 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.75 1x5g h HIS 94 Cb 0.99 0.37 0.00 0.00 1.06 0.00 0.00 27.41 29.83 1x5g h HIS 94 CO -0.07 -0.69 0.00 0.41 0.86 0.00 0.00 177.93 178.43 1x5g n GLY 95 N -1.27 1.40 3.62 2.45 0.00 -0.83 -4.69 105.19 105.88 1x5g n GLY 95 Ca -0.15 -1.04 -0.43 0.00 0.00 0.00 0.00 46.02 44.40 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 3.68 0.00 1.61 0.04 -1.26 -3.80 135.00 133.27 1x5g s PRO 96 Ca 0.00 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.59 1x5g s PRO 96 Cb 0.00 -4.07 0.00 0.00 0.04 0.00 0.00 34.50 30.47 1x5g s PRO 96 CO 0.00 -1.44 0.00 0.41 0.04 0.00 0.00 177.00 176.01 1x5g n GLY 97 N 4.86 -0.82 3.91 0.56 0.00 -1.20 -5.01 105.19 107.49 1x5g n GLY 97 Ca 0.19 -1.13 -0.30 0.00 0.00 0.00 0.00 46.02 44.78 1x5g n GLY 97 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1x5g s VAL 98 N 0.00 1.95 -0.03 1.61 -7.23 -1.26 -4.92 120.40 110.52 1x5g s VAL 98 Ca 0.00 0.00 0.04 0.00 -1.81 0.00 0.00 61.98 60.21 1x5g s VAL 98 Cb 0.00 -2.95 -0.00 0.00 0.56 0.00 0.00 36.38 33.99 1x5g s VAL 98 CO 0.00 0.00 -0.14 -0.55 -0.31 0.00 0.00 175.10 174.10 1x5g s SER 99 N -4.88 1.74 0.87 4.85 0.15 -1.26 -4.29 113.70 110.88 1x5g s SER 99 Ca 0.76 -0.28 -0.11 0.00 0.70 0.00 0.00 55.95 57.03 1x5g s SER 99 Cb -0.03 -0.42 0.12 0.00 -1.71 0.00 0.00 66.02 63.98 1x5g s SER 99 CO 0.54 0.13 1.16 0.42 1.20 0.00 0.00 173.24 176.69 1x5g s THR 100 N 0.02 2.13 0.13 6.45 -4.23 -1.09 -4.94 115.64 114.12 1x5g s THR 100 Ca -0.02 0.05 -0.31 0.00 -1.18 0.00 0.00 61.69 60.23 1x5g s THR 100 Cb -0.09 -2.21 -0.08 0.00 1.34 0.00 0.00 72.50 71.46 1x5g s THR 100 CO 0.01 -0.05 1.35 -2.16 -0.54 0.00 0.00 174.62 173.23 1x5g s PRO 101 N -4.50 4.35 0.04 3.99 0.04 -1.26 -4.68 135.00 132.98 1x5g s PRO 101 Ca 0.68 2.04 -0.35 0.00 0.04 0.00 0.00 61.00 63.41 1x5g s PRO 101 Cb -0.24 -3.25 -0.18 0.00 0.04 0.00 0.00 34.50 30.87 1x5g s PRO 101 CO 0.55 -0.37 0.89 -0.25 0.04 0.00 0.00 177.00 177.86 1x5g n ASP 102 N 3.63 -0.29 -3.93 6.66 9.92 -1.26 -4.84 116.55 126.44 1x5g n ASP 102 Ca 0.10 1.09 -0.30 0.00 -0.53 0.00 0.00 54.79 55.15 1x5g n ASP 102 Cb 0.43 -0.88 -0.11 0.00 -0.64 0.00 0.00 41.12 39.92 1x5g n ASP 102 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1x5g n VAL 103 N 1.08 1.97 -2.32 2.53 0.31 0.16 -4.88 118.33 117.18 1x5g n VAL 103 Ca 0.18 -4.94 -0.41 0.00 -0.01 0.00 0.00 64.34 59.16 1x5g n VAL 103 Cb 0.11 -2.23 -0.03 0.00 -0.91 0.00 0.00 33.84 30.78 1x5g n VAL 103 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x5g s ALA 104 N -1.50 3.46 -0.02 3.52 0.00 -1.26 -2.47 121.76 123.50 1x5g s ALA 104 Ca 0.26 1.01 -0.06 0.00 0.00 0.00 0.00 51.96 53.17 1x5g s ALA 104 Cb -0.04 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.65 1x5g s ALA 104 CO -0.16 -0.42 0.13 0.54 0.00 0.00 0.00 175.76 175.85 1x5g s VAL 105 N -0.22 0.05 -0.21 0.00 0.11 -0.62 -4.91 120.40 114.60 1x5g s VAL 105 Ca 0.53 -0.45 -0.09 0.00 -2.93 0.00 0.00 61.98 59.04 1x5g s VAL 105 Cb -0.34 -0.33 -0.04 0.00 -1.53 0.00 0.00 36.38 34.13 1x5g s VAL 105 CO 0.39 -0.24 0.10 -0.60 -3.33 0.00 0.00 175.10 171.42 1x5g s ARG 106 N -0.83 3.99 1.23 1.54 3.52 -1.26 -1.00 118.95 126.13 1x5g s ARG 106 Ca -0.09 -0.32 -0.20 0.00 -0.13 0.00 0.00 55.73 54.99 1x5g s ARG 106 Cb -0.05 -3.36 0.30 0.00 -1.56 0.00 0.00 34.95 30.27 1x5g s ARG 106 CO 0.01 0.15 1.11 0.95 -0.81 0.00 0.00 175.30 176.70 1x5g s THR 107 N 0.76 1.55 0.55 4.11 -4.23 -1.01 -4.77 115.64 112.60 1x5g s THR 107 Ca 0.05 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.41 1x5g s THR 107 Cb -0.13 -2.47 -0.06 0.00 1.34 0.00 0.00 72.50 71.17 1x5g s THR 107 CO 0.02 0.00 1.01 -0.76 -0.54 0.00 0.00 174.62 174.35 1x5g s LEU 108 N -7.01 3.55 -0.19 4.79 1.43 -1.26 -3.95 118.68 116.04 1x5g s LEU 108 Ca 0.71 1.61 -0.06 0.00 -1.03 0.00 0.00 54.13 55.36 1x5g s LEU 108 Cb -0.09 -4.51 -0.03 0.00 0.03 0.00 0.00 46.19 41.59 1x5g s LEU 108 CO 0.56 -0.76 0.03 -0.55 0.23 0.00 0.00 176.35 175.85 1x5g s SER 109 N -3.13 5.21 -1.19 2.29 0.15 -1.26 -1.76 113.70 114.02 1x5g s SER 109 Ca 0.60 -0.06 -0.20 0.00 0.70 0.00 0.00 55.95 56.99 1x5g s SER 109 Cb -0.11 -1.89 0.03 0.00 -1.71 0.00 0.00 66.02 62.34 1x5g s SER 109 CO 0.35 0.13 1.72 -0.62 1.20 0.00 0.00 173.24 176.02 1x5g s ASP 110 N 0.61 6.38 0.39 5.45 -1.08 -1.26 -4.95 116.67 122.20 1x5g s ASP 110 Ca 0.01 -1.99 0.07 0.00 -0.52 0.00 0.00 52.55 50.13 1x5g s ASP 110 Cb -0.14 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.75 1x5g s ASP 110 CO 0.02 -1.64 0.52 -0.44 0.52 0.00 0.00 175.17 174.14 1x5g s SER 111 N 4.99 5.73 0.00 -0.34 0.01 -1.26 -5.07 113.70 117.76 1x5g s SER 111 Ca 0.55 -0.35 0.00 0.00 1.31 0.00 0.00 55.95 57.46 1x5g s SER 111 Cb 0.02 -0.87 0.00 0.00 0.21 0.00 0.00 66.02 65.37 1x5g s SER 111 CO 0.04 -0.62 0.00 0.61 0.41 0.00 0.00 173.24 173.68 1x5g n GLY 112 N -1.74 3.44 0.00 3.44 0.00 -1.26 -4.85 105.19 104.22 1x5g n GLY 112 Ca 0.05 -1.64 0.07 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.43 0.07 -3.75 1.61 -0.04 -1.26 -4.74 135.00 126.45 1x5g n PRO 113 Ca 0.00 0.22 -0.12 0.00 -0.04 0.00 0.00 63.50 63.56 1x5g n PRO 113 Cb 0.00 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 31.88 1x5g n PRO 113 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x5g s SER 114 N -2.86 -0.17 0.63 3.54 0.01 -1.26 -5.14 113.70 108.45 1x5g s SER 114 Ca 0.09 -0.04 -0.18 0.00 1.31 0.00 0.00 55.95 57.13 1x5g s SER 114 Cb 0.09 0.34 -0.14 0.00 0.21 0.00 0.00 66.02 66.52 1x5g s SER 114 CO 0.25 -0.54 -0.24 -0.24 0.41 0.00 0.00 173.24 172.89 1x5g n SER 115 N 0.91 -4.04 0.00 2.44 2.88 -1.26 -5.04 113.62 109.52 1x5g n SER 115 Ca -0.20 0.55 0.00 0.00 -1.33 0.00 0.00 58.87 57.89 1x5g n SER 115 Cb 0.58 -0.85 0.00 0.00 -0.75 0.00 0.00 64.21 63.18 1x5g n SER 115 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42