#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5g n SER 2 N 0.00 1.05 -3.27 1.61 2.88 -1.26 -5.04 113.62 109.59 1x5g n SER 2 Ca 0.00 0.16 -0.21 0.00 -1.33 0.00 0.00 58.87 57.49 1x5g n SER 2 Cb 0.00 -0.37 0.07 0.00 -0.75 0.00 0.00 64.21 63.17 1x5g n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x5g n SER 3 N -3.61 -5.31 -4.38 -3.46 7.64 -1.26 -4.77 113.62 98.47 1x5g n SER 3 Ca -0.08 -0.50 -0.50 0.00 1.01 0.00 0.00 58.87 58.81 1x5g n SER 3 Cb 0.30 -4.60 -0.13 0.00 -1.01 0.00 0.00 64.21 58.77 1x5g n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5g n GLY 4 N -1.74 -0.31 3.63 0.23 0.00 -1.26 -4.83 105.19 100.90 1x5g n GLY 4 Ca -0.04 1.13 -0.07 0.00 0.00 0.00 0.00 46.02 47.05 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 7.61 -0.26 -0.03 1.61 0.15 -1.26 -5.09 113.70 116.42 1x5g s SER 5 Ca 1.28 0.44 -0.04 0.00 0.70 0.00 0.00 55.95 58.33 1x5g s SER 5 Cb -1.36 0.43 -0.02 0.00 -1.71 0.00 0.00 66.02 63.36 1x5g s SER 5 CO 0.57 -0.14 0.27 0.28 1.20 0.00 0.00 173.24 175.42 1x5g h SER 6 N 3.28 -0.11 0.00 5.45 0.02 -2.02 -3.49 113.55 116.67 1x5g h SER 6 Ca -0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 1x5g h SER 6 Cb 1.18 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1x5g h SER 6 CO 0.18 0.09 0.00 0.61 -1.14 0.00 0.00 176.83 176.58 1x5g n GLY 7 N 1.22 1.02 2.61 -3.77 0.00 -1.26 -5.01 105.19 99.99 1x5g n GLY 7 Ca -0.02 -0.99 -0.31 0.00 0.00 0.00 0.00 46.02 44.70 1x5g n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x5g n ARG 8 N 0.67 0.00 -4.59 1.61 3.00 -1.26 -4.98 116.66 111.11 1x5g n ARG 8 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.85 57.54 1x5g n ARG 8 Cb 0.00 -0.82 -0.08 0.00 0.00 0.00 0.00 32.46 31.56 1x5g n ARG 8 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 1x5g s VAL 9 N -1.64 1.51 0.37 1.55 -7.23 -1.26 -5.15 120.40 108.55 1x5g s VAL 9 Ca 0.42 -1.93 0.06 0.00 -1.81 0.00 0.00 61.98 58.72 1x5g s VAL 9 Cb -0.33 -2.44 -0.00 0.00 0.56 0.00 0.00 36.38 34.17 1x5g s VAL 9 CO 0.59 0.00 0.53 -1.61 -0.31 0.00 0.00 175.10 174.29 1x5g s GLU 10 N -3.88 3.04 -0.00 4.82 8.01 -1.26 -5.13 118.70 124.30 1x5g s GLU 10 Ca 0.19 -0.96 -0.21 0.00 0.01 0.00 0.00 54.97 53.99 1x5g s GLU 10 Cb 0.04 -2.76 0.04 0.00 -4.31 0.00 0.00 34.13 27.14 1x5g s GLU 10 CO 0.10 -0.07 0.47 0.99 0.01 0.00 0.00 175.26 176.76 1x5g s THR 11 N -2.28 0.04 -0.38 3.63 2.01 -1.26 -5.14 115.64 112.25 1x5g s THR 11 Ca 0.47 -0.30 -0.14 0.00 0.31 0.00 0.00 61.69 62.04 1x5g s THR 11 Cb -0.10 -0.86 0.01 0.00 0.01 0.00 0.00 72.50 71.57 1x5g s THR 11 CO 0.33 -0.16 0.27 -1.10 -0.69 0.00 0.00 174.62 173.26 1x5g s GLN 12 N -1.72 3.11 0.88 4.92 1.11 -1.26 -5.08 119.66 121.61 1x5g s GLN 12 Ca -0.10 -0.92 -0.15 0.00 0.01 0.00 0.00 55.36 54.21 1x5g s GLN 12 Cb -0.02 -3.89 0.22 0.00 -1.01 0.00 0.00 33.01 28.30 1x5g s GLN 12 CO 0.03 -0.65 0.78 -0.35 0.01 0.00 0.00 175.29 175.11 1x5g n PRO 13 N 5.12 -2.54 -1.54 2.91 -0.04 -1.26 -5.07 135.00 132.57 1x5g n PRO 13 Ca -0.12 -1.24 -0.12 0.00 -0.04 0.00 0.00 63.50 61.98 1x5g n PRO 13 Cb 0.48 -1.17 0.07 0.00 -0.04 0.00 0.00 33.50 32.84 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 -3.88 0.14 -0.10 0.54 4.71 -1.26 -5.05 120.64 115.73 1x5g n GLU 14 Ca 0.11 -1.35 -0.12 0.00 -0.01 0.00 0.00 57.16 55.78 1x5g n GLU 14 Cb 0.42 -0.38 -0.12 0.00 -1.01 0.00 0.00 31.44 30.35 1x5g n GLU 14 CO 0.00 0.00 0.00 1.33 0.09 0.00 0.00 177.13 178.55 1x5g n VAL 15 N -2.23 1.23 -1.76 2.62 0.24 -1.26 -4.63 118.33 112.54 1x5g n VAL 15 Ca 0.08 -0.59 -0.40 0.00 -2.04 0.00 0.00 64.34 61.40 1x5g n VAL 15 Cb 0.30 -0.97 -0.01 0.00 -1.47 0.00 0.00 33.84 31.69 1x5g n VAL 15 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1x5g n GLN 16 N -2.93 3.94 -4.35 7.34 10.64 -1.26 -4.90 117.38 125.86 1x5g n GLN 16 Ca -0.34 -2.91 -0.18 0.00 -1.83 0.00 0.00 57.00 51.74 1x5g n GLN 16 Cb 0.98 -2.81 -0.10 0.00 -0.86 0.00 0.00 30.24 27.45 1x5g n GLN 16 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1x5g s LEU 17 N -0.52 2.51 0.00 2.61 1.02 -1.26 -4.60 118.68 118.45 1x5g s LEU 17 Ca 0.57 -1.06 -0.20 0.00 0.02 0.00 0.00 54.13 53.46 1x5g s LEU 17 Cb 0.17 -0.59 0.30 0.00 0.02 0.00 0.00 46.19 46.08 1x5g s LEU 17 CO -0.07 -0.25 1.06 -0.81 0.02 0.00 0.00 176.35 176.31 1x5g n PRO 18 N -0.40 -3.10 -3.89 1.29 -0.04 -1.26 -4.48 135.00 123.13 1x5g n PRO 18 Ca -0.08 -1.70 -0.23 0.00 -0.04 0.00 0.00 63.50 61.46 1x5g n PRO 18 Cb 0.61 -1.59 -0.05 0.00 -0.04 0.00 0.00 33.50 32.42 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 -4.42 2.15 0.17 0.55 0.00 -1.26 -4.18 107.32 100.33 1x5g s GLY 19 Ca 0.69 -1.94 -0.30 0.00 0.00 0.00 0.00 44.72 43.16 1x5g s GLY 19 CO 0.53 -1.78 1.32 2.56 0.00 0.00 0.00 173.10 175.73 1x5g s PRO 20 N -3.99 4.37 -0.18 2.90 0.04 -1.26 -4.69 135.00 132.19 1x5g s PRO 20 Ca 0.43 2.04 -0.28 0.00 0.04 0.00 0.00 61.00 63.23 1x5g s PRO 20 Cb -0.01 -3.22 -0.05 0.00 0.04 0.00 0.00 34.50 31.26 1x5g s PRO 20 CO 0.25 -0.31 2.10 0.00 0.04 0.00 0.00 177.00 179.08 1x5g s ALA 21 N 0.46 2.93 1.11 8.56 0.00 -1.26 -4.47 121.76 129.08 1x5g s ALA 21 Ca 0.59 0.82 -0.09 0.00 0.00 0.00 0.00 51.96 53.28 1x5g s ALA 21 Cb -0.36 -4.01 0.13 0.00 0.00 0.00 0.00 23.12 18.87 1x5g s ALA 21 CO 0.35 -2.50 0.46 -0.35 0.00 0.00 0.00 175.76 173.72 1x5g n PRO 22 N 8.44 -1.92 -3.81 0.00 -0.04 -1.21 -4.15 135.00 132.31 1x5g n PRO 22 Ca 0.27 -0.73 -0.24 0.00 -0.04 0.00 0.00 63.50 62.76 1x5g n PRO 22 Cb 0.44 -0.69 -0.06 0.00 -0.04 0.00 0.00 33.50 33.16 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 -3.79 0.11 -4.56 3.54 5.03 -1.26 -1.83 115.26 112.50 1x5g n ASN 23 Ca 0.06 -0.90 -0.42 0.00 0.87 0.00 0.00 54.58 54.19 1x5g n ASN 23 Cb 0.25 -1.11 -0.03 0.00 -1.02 0.00 0.00 39.78 37.86 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 -6.18 3.69 0.30 3.41 2.96 -1.26 -3.68 118.68 117.92 1x5g s LEU 24 Ca 0.06 -0.04 0.09 0.00 -0.22 0.00 0.00 54.13 54.01 1x5g s LEU 24 Cb -0.03 -3.06 -0.04 0.00 0.50 0.00 0.00 46.19 43.56 1x5g s LEU 24 CO 0.70 -1.38 0.08 -0.13 -1.32 0.00 0.00 176.35 174.30 1x5g s ARG 25 N 4.57 2.38 -0.29 1.98 1.81 0.62 -5.01 118.95 125.01 1x5g s ARG 25 Ca 0.39 -1.45 -0.14 0.00 -1.72 0.00 0.00 55.73 52.81 1x5g s ARG 25 Cb -0.09 -2.20 0.10 0.00 -0.45 0.00 0.00 34.95 32.31 1x5g s ARG 25 CO 0.23 0.25 0.71 0.00 -0.68 0.00 0.00 175.30 175.81 1x5g s ALA 26 N -2.35 -1.98 -0.02 2.13 0.00 -1.26 -2.11 121.76 116.16 1x5g s ALA 26 Ca 0.34 2.38 -0.06 0.00 0.00 0.00 0.00 51.96 54.62 1x5g s ALA 26 Cb -0.05 -1.58 0.01 0.00 0.00 0.00 0.00 23.12 21.50 1x5g s ALA 26 CO 0.22 -0.56 0.14 1.52 0.00 0.00 0.00 175.76 177.08 1x5g s TYR 27 N 2.03 -0.05 -0.51 0.00 1.13 -0.58 -5.02 117.35 114.35 1x5g s TYR 27 Ca -0.08 0.11 -0.24 0.00 -1.41 0.00 0.00 57.07 55.44 1x5g s TYR 27 Cb -0.07 -0.00 0.04 0.00 -1.10 0.00 0.00 41.96 40.82 1x5g s TYR 27 CO -0.19 -0.19 0.87 0.00 -2.51 0.00 0.00 175.55 173.52 1x5g s ALA 28 N -0.73 3.23 0.20 9.51 0.00 -1.26 -0.47 121.76 132.23 1x5g s ALA 28 Ca -0.08 -1.15 -0.02 0.00 0.00 0.00 0.00 51.96 50.71 1x5g s ALA 28 Cb -0.05 -3.62 0.13 0.00 0.00 0.00 0.00 23.12 19.59 1x5g s ALA 28 CO 0.01 -2.18 1.51 0.00 0.00 0.00 0.00 175.76 175.09 1x5g h ALA 29 N 9.16 0.71 -2.26 0.00 0.00 -1.88 -3.44 119.26 121.56 1x5g h ALA 29 Ca -0.26 -0.53 -0.19 0.00 0.00 0.00 0.00 54.91 53.94 1x5g h ALA 29 Cb 1.08 -0.08 -0.15 0.00 0.00 0.00 0.00 17.79 18.64 1x5g h ALA 29 CO 1.03 0.70 -0.68 -1.12 0.00 0.00 0.00 179.25 179.18 1x5g s SER 30 N -6.92 0.83 0.00 0.00 0.01 -1.10 -5.01 113.70 101.51 1x5g s SER 30 Ca -0.07 -1.03 0.15 0.00 1.31 0.00 0.00 55.95 56.31 1x5g s SER 30 Cb 0.11 0.15 0.87 0.00 0.21 0.00 0.00 66.02 67.36 1x5g s SER 30 CO 0.83 -0.55 1.36 -0.81 0.41 0.00 0.00 173.24 174.49 1x5g n PRO 31 N -0.01 0.39 0.00 12.44 -0.04 -1.26 -2.55 135.00 143.98 1x5g n PRO 31 Ca -0.12 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1x5g n PRO 31 Cb 0.61 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 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 -1.10 0.00 -4.40 0.52 -2.24 -1.26 -3.59 114.28 102.21 1x5g n THR 32 Ca 0.10 -0.12 -0.20 0.00 -2.27 0.00 0.00 64.05 61.57 1x5g n THR 32 Cb 0.08 0.56 -0.10 0.00 -2.10 0.00 0.00 70.33 68.76 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 -1.13 1.98 -0.00 3.42 0.01 -1.06 0.53 113.70 117.46 1x5g s SER 33 Ca 0.00 -1.36 -0.06 0.00 1.31 0.00 0.00 55.95 55.84 1x5g s SER 33 Cb 0.00 -0.00 -0.00 0.00 0.21 0.00 0.00 66.02 66.23 1x5g s SER 33 CO 0.00 -0.63 0.12 -0.63 0.41 0.00 0.00 173.24 172.51 1x5g s ILE 34 N -3.44 0.08 -0.22 1.44 1.01 0.04 -2.71 121.20 117.41 1x5g s ILE 34 Ca 0.36 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 60.37 1x5g s ILE 34 Cb 0.08 -0.38 0.02 0.00 0.01 0.00 0.00 42.46 42.19 1x5g s ILE 34 CO 0.14 -0.35 -0.13 -0.89 0.00 0.00 0.00 174.94 173.71 1x5g s THR 35 N -1.23 2.46 -0.10 2.92 2.01 0.38 -1.06 115.64 121.02 1x5g s THR 35 Ca -0.13 -1.03 0.00 0.00 0.31 0.00 0.00 61.69 60.84 1x5g s THR 35 Cb -0.07 -2.17 -0.02 0.00 0.01 0.00 0.00 72.50 70.24 1x5g s THR 35 CO 0.01 0.34 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.49 1x5g s VAL 36 N 1.29 3.42 -0.05 3.82 1.01 -1.01 -1.53 120.40 127.34 1x5g s VAL 36 Ca 0.01 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.45 1x5g s VAL 36 Cb -0.15 -2.42 0.02 0.00 0.00 0.00 0.00 36.38 33.82 1x5g s VAL 36 CO -0.08 0.55 -0.08 0.42 0.00 0.00 0.00 175.10 175.91 1x5g s THR 37 N -0.21 0.79 0.30 3.92 -4.23 -0.90 -2.24 115.64 113.06 1x5g s THR 37 Ca 0.02 -0.28 0.03 0.00 -1.18 0.00 0.00 61.69 60.28 1x5g s THR 37 Cb -0.13 -0.75 -0.06 0.00 1.34 0.00 0.00 72.50 72.90 1x5g s THR 37 CO 0.03 0.28 0.05 -1.66 -0.54 0.00 0.00 174.62 172.77 1x5g s TRP 38 N 0.75 1.82 0.34 3.99 -2.14 -1.24 -0.28 118.94 122.18 1x5g s TRP 38 Ca -0.12 -0.98 0.09 0.00 2.66 0.00 0.00 56.10 57.74 1x5g s TRP 38 Cb -0.15 -1.15 -0.05 0.00 -3.10 0.00 0.00 33.47 29.03 1x5g s TRP 38 CO 0.02 -0.05 0.01 -1.21 -2.66 0.00 0.00 176.95 173.06 1x5g s GLU 39 N -3.91 2.10 -0.04 3.25 0.41 -0.76 -4.79 118.70 114.96 1x5g s GLU 39 Ca 0.35 -1.72 -0.24 0.00 -0.41 0.00 0.00 54.97 52.95 1x5g s GLU 39 Cb 0.08 -1.95 -0.04 0.00 -1.78 0.00 0.00 34.13 30.44 1x5g s GLU 39 CO 0.14 0.15 0.72 0.99 -0.49 0.00 0.00 175.26 176.77 1x5g s THR 40 N -2.50 4.98 -0.39 3.63 2.01 -1.26 -3.31 115.64 118.80 1x5g s THR 40 Ca 0.35 1.49 -0.28 0.00 0.31 0.00 0.00 61.69 63.56 1x5g s THR 40 Cb -0.01 -4.06 -0.01 0.00 0.01 0.00 0.00 72.50 68.43 1x5g s THR 40 CO 0.19 0.27 1.72 -2.16 -0.69 0.00 0.00 174.62 173.96 1x5g s PRO 41 N 0.62 3.30 0.65 4.92 0.04 -1.26 -4.67 135.00 138.61 1x5g s PRO 41 Ca 0.38 1.21 0.22 0.00 0.04 0.00 0.00 61.00 62.85 1x5g s PRO 41 Cb -0.18 -4.18 1.17 0.00 0.04 0.00 0.00 34.50 31.35 1x5g s PRO 41 CO 0.19 -1.91 1.66 -0.39 0.04 0.00 0.00 177.00 176.60 1x5g h VAL 42 N 6.74 0.04 -3.33 -0.36 -1.51 -1.94 -3.40 116.25 112.48 1x5g h VAL 42 Ca -0.31 0.00 -0.49 0.00 -1.23 0.00 0.00 66.70 64.66 1x5g h VAL 42 Cb 1.15 0.47 0.01 0.00 -2.13 0.00 0.00 31.29 30.79 1x5g h VAL 42 CO 1.07 0.00 -0.02 -0.55 -1.23 0.00 0.00 177.57 176.84 1x5g s SER 43 N -4.11 6.35 0.00 4.19 0.15 -1.26 -5.05 113.70 113.97 1x5g s SER 43 Ca -0.03 0.80 0.00 0.00 0.70 0.00 0.00 55.95 57.43 1x5g s SER 43 Cb 0.07 -2.19 0.00 0.00 -1.71 0.00 0.00 66.02 62.20 1x5g s SER 43 CO 0.24 -0.40 0.00 0.61 1.20 0.00 0.00 173.24 174.89 1x5g n GLY 44 N -1.70 4.36 0.21 9.45 0.00 -1.26 -4.00 105.19 112.26 1x5g n GLY 44 Ca -0.01 -1.43 -0.18 0.00 0.00 0.00 0.00 46.02 44.40 1x5g n GLY 44 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x5g n ASN 45 N 0.00 2.01 -4.46 1.61 6.94 -1.26 -5.04 115.26 115.06 1x5g n ASN 45 Ca 0.00 0.06 -0.17 0.00 -0.02 0.00 0.00 54.58 54.45 1x5g n ASN 45 Cb 0.00 -0.46 0.05 0.00 -2.36 0.00 0.00 39.78 37.01 1x5g n ASN 45 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1x5g n GLY 46 N 2.14 2.13 3.82 4.83 0.00 -1.26 -5.11 105.19 111.74 1x5g n GLY 46 Ca -0.38 -2.23 -0.37 0.00 0.00 0.00 0.00 46.02 43.04 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 -4.15 3.91 -0.25 1.61 -1.05 -1.26 -4.99 118.70 112.51 1x5g s GLU 47 Ca 0.46 0.25 -0.29 0.00 -0.15 0.00 0.00 54.97 55.24 1x5g s GLU 47 Cb -0.04 -3.27 -0.03 0.00 -0.44 0.00 0.00 34.13 30.36 1x5g s GLU 47 CO 0.29 0.59 1.74 0.42 0.95 0.00 0.00 175.26 179.25 1x5g s ILE 48 N -0.67 3.54 -0.12 1.83 -1.09 -1.26 -4.22 121.20 119.20 1x5g s ILE 48 Ca 0.21 0.58 -0.18 0.00 -2.23 0.00 0.00 60.65 59.04 1x5g s ILE 48 Cb -0.15 -3.61 -0.15 0.00 -1.58 0.00 0.00 42.46 36.96 1x5g s ILE 48 CO 0.10 -0.32 0.51 1.56 -1.23 0.00 0.00 174.94 175.56 1x5g h GLN 49 N 11.81 -0.02 -3.95 2.79 4.20 -1.72 -3.48 115.11 124.73 1x5g h GLN 49 Ca -0.35 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.23 1x5g h GLN 49 Cb 1.17 0.01 -0.18 0.00 0.30 0.00 0.00 27.48 28.77 1x5g h GLN 49 CO 1.01 0.55 -0.61 0.54 -0.67 0.00 0.00 178.83 179.65 1x5g s ASN 50 N -5.89 0.27 -0.09 1.46 4.22 -1.04 -5.07 114.94 108.78 1x5g s ASN 50 Ca -0.11 -0.63 -0.01 0.00 -2.14 0.00 0.00 52.86 49.96 1x5g s ASN 50 Cb -0.02 0.19 -0.03 0.00 1.28 0.00 0.00 41.25 42.67 1x5g s ASN 50 CO 0.42 -0.47 -0.03 -0.31 -2.04 0.00 0.00 177.10 174.67 1x5g s TYR 51 N -2.60 3.06 -0.12 1.54 2.02 -1.24 -2.54 117.35 117.47 1x5g s TYR 51 Ca -0.05 0.04 -0.03 0.00 -0.37 0.00 0.00 57.07 56.66 1x5g s TYR 51 Cb -0.01 -1.80 -0.03 0.00 -0.40 0.00 0.00 41.96 39.71 1x5g s TYR 51 CO -0.05 0.32 -0.02 0.21 -1.57 0.00 0.00 175.55 174.44 1x5g s LYS 52 N -0.59 3.32 -0.15 -0.62 2.47 -0.74 -3.08 119.74 120.36 1x5g s LYS 52 Ca 0.09 -0.47 -0.01 0.00 -1.56 0.00 0.00 55.97 54.03 1x5g s LYS 52 Cb -0.12 -2.85 0.04 0.00 -1.46 0.00 0.00 37.83 33.44 1x5g s LYS 52 CO 0.02 0.47 -0.02 -1.17 0.16 0.00 0.00 175.35 174.81 1x5g s LEU 53 N -0.26 1.27 0.30 5.43 2.96 -1.15 -1.36 118.68 125.87 1x5g s LEU 53 Ca 0.05 -0.55 0.01 0.00 -0.22 0.00 0.00 54.13 53.42 1x5g s LEU 53 Cb -0.12 -0.74 -0.04 0.00 0.50 0.00 0.00 46.19 45.79 1x5g s LEU 53 CO 0.02 -0.21 0.49 -0.31 -1.32 0.00 0.00 176.35 175.02 1x5g s TYR 54 N 1.76 3.49 -0.28 5.38 1.51 -0.87 -1.77 117.35 126.58 1x5g s TYR 54 Ca 0.02 0.31 -0.18 0.00 -1.01 0.00 0.00 57.07 56.20 1x5g s TYR 54 Cb -0.15 -1.85 0.08 0.00 -0.11 0.00 0.00 41.96 39.93 1x5g s TYR 54 CO -0.07 0.22 0.70 1.52 -1.11 0.00 0.00 175.55 176.81 1x5g s TYR 55 N -2.17 -0.99 0.18 2.71 1.13 -1.22 -3.20 117.35 113.79 1x5g s TYR 55 Ca 0.39 2.08 -0.21 0.00 -1.41 0.00 0.00 57.07 57.92 1x5g s TYR 55 Cb -0.10 0.54 0.05 0.00 -1.10 0.00 0.00 41.96 41.35 1x5g s TYR 55 CO 0.33 -0.49 0.58 0.00 -2.51 0.00 0.00 175.55 173.47 1x5g s MET 56 N 1.29 1.34 0.05 -3.49 0.23 -1.11 -3.15 119.30 114.46 1x5g s MET 56 Ca -0.07 -0.63 -0.28 0.00 -1.03 0.00 0.00 55.69 53.68 1x5g s MET 56 Cb -0.05 0.57 -0.05 0.00 -1.53 0.00 0.00 34.83 33.77 1x5g s MET 56 CO -0.14 -0.59 0.87 -2.00 -2.03 0.00 0.00 175.02 171.14 1x5g s GLU 57 N -3.80 4.58 -0.52 3.16 2.12 -1.26 0.35 118.70 123.34 1x5g s GLU 57 Ca 0.04 1.26 -0.26 0.00 0.36 0.00 0.00 54.97 56.37 1x5g s GLU 57 Cb -0.01 -3.39 -0.07 0.00 0.26 0.00 0.00 34.13 30.91 1x5g s GLU 57 CO -0.09 0.18 2.40 0.21 -0.54 0.00 0.00 175.26 177.42 1x5g s LYS 58 N 0.22 2.07 0.00 4.30 2.47 -1.08 -2.55 119.74 125.17 1x5g s LYS 58 Ca 0.44 1.32 0.00 0.00 -1.56 0.00 0.00 55.97 56.18 1x5g s LYS 58 Cb -0.21 -4.60 0.00 0.00 -1.46 0.00 0.00 37.83 31.56 1x5g s LYS 58 CO 0.26 -3.36 0.00 0.41 0.16 0.00 0.00 175.35 172.82 1x5g n GLY 59 N 6.05 0.95 0.00 5.54 0.00 -1.26 -4.94 105.19 111.54 1x5g n GLY 59 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 0.00 0.00 -1.93 2.61 -1.04 -1.06 -5.03 114.28 107.83 1x5g n THR 60 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.88 1x5g n THR 60 Cb 0.00 -0.37 -0.02 0.00 -1.82 0.00 0.00 70.33 68.12 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 -1.30 -4.20 -3.49 8.00 9.92 -1.26 -4.96 116.55 119.26 1x5g n ASP 61 Ca 0.00 0.11 -0.27 0.00 -0.53 0.00 0.00 54.79 54.10 1x5g n ASP 61 Cb 0.21 -3.20 -0.09 0.00 -0.64 0.00 0.00 41.12 37.40 1x5g n ASP 61 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1x5g n LYS 62 N -2.37 1.24 -2.00 -1.24 4.01 -1.26 -5.11 118.16 111.42 1x5g n LYS 62 Ca -0.14 -3.85 -0.36 0.00 -0.51 0.00 0.00 58.31 53.44 1x5g n LYS 62 Cb 0.55 -1.85 0.03 0.00 -0.51 0.00 0.00 35.03 33.24 1x5g n LYS 62 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 1x5g s GLU 63 N -1.17 3.01 0.45 1.97 2.12 -1.26 -4.77 118.70 119.05 1x5g s GLU 63 Ca 0.33 1.86 0.03 0.00 0.36 0.00 0.00 54.97 57.55 1x5g s GLU 63 Cb 0.07 -1.97 -0.04 0.00 0.26 0.00 0.00 34.13 32.45 1x5g s GLU 63 CO -0.13 -1.18 0.02 -0.65 -0.54 0.00 0.00 175.26 172.78 1x5g s GLN 64 N -3.27 2.05 -0.14 4.30 -0.21 -1.19 -4.98 119.66 116.23 1x5g s GLN 64 Ca 0.77 -2.25 -0.08 0.00 0.02 0.00 0.00 55.36 53.82 1x5g s GLN 64 Cb -0.31 -1.42 0.05 0.00 1.00 0.00 0.00 33.01 32.33 1x5g s GLN 64 CO 0.34 -0.26 0.33 0.16 -2.12 0.00 0.00 175.29 173.74 1x5g s ASP 65 N -3.77 -0.39 -0.00 5.90 1.47 -1.26 -3.38 116.67 115.24 1x5g s ASP 65 Ca 0.19 0.70 0.05 0.00 1.18 0.00 0.00 52.55 54.67 1x5g s ASP 65 Cb 0.05 0.59 -0.01 0.00 -0.34 0.00 0.00 42.92 43.21 1x5g s ASP 65 CO 0.10 -0.17 -0.16 0.68 0.68 0.00 0.00 175.17 176.30 1x5g s VAL 66 N 1.24 1.24 -0.32 2.11 -7.23 -0.73 -5.00 120.40 111.70 1x5g s VAL 66 Ca -0.09 -0.74 -0.25 0.00 -1.81 0.00 0.00 61.98 59.09 1x5g s VAL 66 Cb -0.09 -1.04 0.01 0.00 0.56 0.00 0.00 36.38 35.82 1x5g s VAL 66 CO -0.10 0.29 0.89 1.51 -0.31 0.00 0.00 175.10 177.39 1x5g s ASP 67 N -0.51 6.74 0.15 4.85 -4.77 -1.26 -2.92 116.67 118.95 1x5g s ASP 67 Ca 0.06 0.75 0.10 0.00 -3.30 0.00 0.00 52.55 50.15 1x5g s ASP 67 Cb -0.06 -2.46 -0.04 0.00 -1.09 0.00 0.00 42.92 39.27 1x5g s ASP 67 CO -0.00 -0.74 -0.20 -0.69 0.70 0.00 0.00 175.17 174.24 1x5g s VAL 68 N 3.25 2.66 -0.15 2.11 1.01 -1.18 -5.04 120.40 123.05 1x5g s VAL 68 Ca 0.37 -1.74 0.04 0.00 0.00 0.00 0.00 61.98 60.65 1x5g s VAL 68 Cb -0.13 -2.25 -0.12 0.00 0.00 0.00 0.00 36.38 33.88 1x5g s VAL 68 CO 0.14 -0.01 -0.10 -0.24 0.00 0.00 0.00 175.10 174.90 1x5g n SER 69 N 0.51 2.54 -4.92 3.32 2.88 -1.26 -3.71 113.62 112.97 1x5g n SER 69 Ca -0.14 -0.07 -0.27 0.00 -1.33 0.00 0.00 58.87 57.06 1x5g n SER 69 Cb 0.54 0.01 -0.03 0.00 -0.75 0.00 0.00 64.21 63.98 1x5g n SER 69 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x5g s SER 70 N -5.31 6.39 0.28 -3.46 0.01 -1.26 -4.89 113.70 105.47 1x5g s SER 70 Ca -0.18 0.48 -0.03 0.00 1.31 0.00 0.00 55.95 57.53 1x5g s SER 70 Cb 0.05 -2.04 0.38 0.00 0.21 0.00 0.00 66.02 64.62 1x5g s SER 70 CO 0.41 -0.10 1.93 0.45 0.41 0.00 0.00 173.24 176.34 1x5g h HIS 71 N 1.79 1.08 -3.61 2.43 3.86 -1.95 -3.40 115.15 115.36 1x5g h HIS 71 Ca -0.48 0.01 -0.63 0.00 -1.16 0.00 0.00 60.37 58.10 1x5g h HIS 71 Cb 1.19 -0.36 -0.18 0.00 1.06 0.00 0.00 27.41 29.12 1x5g h HIS 71 CO 0.55 0.71 -0.56 -1.12 0.86 0.00 0.00 177.93 178.37 1x5g s SER 72 N -6.29 5.63 0.24 2.45 0.01 -1.26 -3.69 113.70 110.79 1x5g s SER 72 Ca -0.12 -0.03 0.10 0.00 1.31 0.00 0.00 55.95 57.21 1x5g s SER 72 Cb 0.17 -2.01 -0.05 0.00 0.21 0.00 0.00 66.02 64.34 1x5g s SER 72 CO 0.80 0.03 -0.17 -0.47 0.41 0.00 0.00 173.24 173.84 1x5g s TYR 73 N 1.25 1.99 -0.20 2.43 5.04 -0.95 -5.01 117.35 121.89 1x5g s TYR 73 Ca 0.06 -0.46 0.01 0.00 -2.44 0.00 0.00 57.07 54.24 1x5g s TYR 73 Cb -0.14 -0.90 0.04 0.00 0.35 0.00 0.00 41.96 41.31 1x5g s TYR 73 CO 0.05 0.53 -0.12 0.99 -1.34 0.00 0.00 175.55 175.66 1x5g s THR 74 N -2.75 1.78 -0.35 4.34 2.01 -1.26 -2.42 115.64 116.98 1x5g s THR 74 Ca 0.26 -1.08 -0.17 0.00 0.31 0.00 0.00 61.69 61.01 1x5g s THR 74 Cb -0.03 -1.81 -0.01 0.00 0.01 0.00 0.00 72.50 70.66 1x5g s THR 74 CO 0.11 0.20 0.46 -0.63 -0.69 0.00 0.00 174.62 174.06 1x5g s ILE 75 N 1.34 5.07 0.10 1.82 1.01 -0.22 -4.94 121.20 125.38 1x5g s ILE 75 Ca -0.01 0.20 0.05 0.00 0.00 0.00 0.00 60.65 60.88 1x5g s ILE 75 Cb -0.16 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.35 1x5g s ILE 75 CO -0.08 -0.19 0.02 0.54 0.00 0.00 0.00 174.94 175.23 1x5g s ASN 76 N 1.75 5.09 0.00 3.58 2.20 -1.26 -0.78 114.94 125.53 1x5g s ASN 76 Ca 0.16 -0.18 0.00 0.00 -0.94 0.00 0.00 52.86 51.90 1x5g s ASN 76 Cb -0.16 -1.23 0.00 0.00 -2.00 0.00 0.00 41.25 37.86 1x5g s ASN 76 CO 0.13 0.16 0.00 0.61 -2.94 0.00 0.00 177.10 175.06 1x5g n GLY 77 N 0.43 0.74 3.60 0.45 0.00 -0.95 -4.98 105.19 104.47 1x5g n GLY 77 Ca -0.10 -0.45 -0.27 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.91 2.36 0.49 0.99 1.43 0.19 -5.03 118.68 118.21 1x5g s LEU 78 Ca 0.00 -1.52 -0.16 0.00 -1.03 0.00 0.00 54.13 51.42 1x5g s LEU 78 Cb 0.00 -0.57 -0.08 0.00 0.03 0.00 0.00 46.19 45.57 1x5g s LEU 78 CO 0.00 -0.70 0.96 -0.54 0.23 0.00 0.00 176.35 176.29 1x5g s LYS 79 N -3.80 3.95 0.28 1.70 -0.14 -1.26 -4.62 119.74 115.85 1x5g s LYS 79 Ca 0.25 0.91 -0.22 0.00 -1.36 0.00 0.00 55.97 55.54 1x5g s LYS 79 Cb 0.06 -2.17 -0.09 0.00 -1.68 0.00 0.00 37.83 33.94 1x5g s LYS 79 CO 0.12 -0.22 0.84 0.15 -0.76 0.00 0.00 175.35 175.48 1x5g s LYS 80 N -3.97 4.39 -1.64 1.68 1.02 -1.24 -3.96 119.74 116.03 1x5g s LYS 80 Ca 0.58 1.08 -0.09 0.00 0.02 0.00 0.00 55.97 57.56 1x5g s LYS 80 Cb -0.10 -2.79 0.09 0.00 -0.52 0.00 0.00 37.83 34.51 1x5g s LYS 80 CO 0.30 0.31 0.33 0.98 -0.92 0.00 0.00 175.35 176.34 1x5g n TYR 81 N 0.53 -1.35 -4.71 3.18 9.36 -1.11 -4.93 117.16 118.13 1x5g n TYR 81 Ca 0.00 0.68 -0.24 0.00 3.32 0.00 0.00 57.90 61.66 1x5g n TYR 81 Cb 0.51 -2.71 -0.16 0.00 -0.63 0.00 0.00 39.34 36.35 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 -3.88 1.24 0.50 2.97 2.01 -1.25 -4.87 115.64 112.36 1x5g s THR 82 Ca 0.32 -0.63 -0.21 0.00 0.31 0.00 0.00 61.69 61.48 1x5g s THR 82 Cb -0.18 -1.06 -0.07 0.00 0.01 0.00 0.00 72.50 71.20 1x5g s THR 82 CO 0.98 0.36 1.13 -0.70 -0.69 0.00 0.00 174.62 175.70 1x5g s GLU 83 N -0.05 3.59 -0.14 4.92 2.12 -1.26 -2.90 118.70 124.98 1x5g s GLU 83 Ca -0.01 1.63 -0.07 0.00 0.36 0.00 0.00 54.97 56.88 1x5g s GLU 83 Cb -0.09 -2.18 0.05 0.00 0.26 0.00 0.00 34.13 32.16 1x5g s GLU 83 CO 0.01 -0.66 0.33 0.71 -0.54 0.00 0.00 175.26 175.11 1x5g s TYR 84 N -1.71 -0.46 0.48 5.30 2.02 0.53 -2.63 117.35 120.88 1x5g s TYR 84 Ca 0.68 1.03 -0.13 0.00 -0.37 0.00 0.00 57.07 58.28 1x5g s TYR 84 Cb -0.24 0.15 -0.07 0.00 -0.40 0.00 0.00 41.96 41.40 1x5g s TYR 84 CO 0.29 -0.28 0.89 0.45 -1.57 0.00 0.00 175.55 175.32 1x5g s SER 85 N 1.27 6.51 -0.12 2.29 0.15 0.15 -0.71 113.70 123.25 1x5g s SER 85 Ca -0.09 1.33 -0.14 0.00 0.70 0.00 0.00 55.95 57.74 1x5g s SER 85 Cb -0.09 -2.41 0.04 0.00 -1.71 0.00 0.00 66.02 61.85 1x5g s SER 85 CO -0.10 -0.54 0.39 -0.36 1.20 0.00 0.00 173.24 173.82 1x5g s PHE 86 N -2.59 -0.39 0.12 3.44 0.08 -1.17 -2.77 117.98 114.70 1x5g s PHE 86 Ca 0.54 0.90 -0.13 0.00 0.12 0.00 0.00 56.93 58.37 1x5g s PHE 86 Cb -0.10 0.15 0.02 0.00 -0.57 0.00 0.00 43.02 42.51 1x5g s PHE 86 CO 0.35 -0.26 0.34 -0.98 -0.10 0.00 0.00 175.22 174.57 1x5g s ARG 87 N -0.13 1.04 -0.04 0.44 1.70 -1.19 0.59 118.95 121.35 1x5g s ARG 87 Ca -0.03 -0.85 0.02 0.00 -0.47 0.00 0.00 55.73 54.41 1x5g s ARG 87 Cb -0.03 0.43 0.01 0.00 -0.57 0.00 0.00 34.95 34.78 1x5g s ARG 87 CO 0.02 -0.39 -0.10 0.08 -1.08 0.00 0.00 175.30 173.82 1x5g s VAL 88 N -3.85 0.93 -0.05 4.99 1.01 -1.26 -2.04 120.40 120.14 1x5g s VAL 88 Ca 0.06 -0.40 0.05 0.00 0.00 0.00 0.00 61.98 61.69 1x5g s VAL 88 Cb 0.03 -0.85 -0.01 0.00 0.00 0.00 0.00 36.38 35.55 1x5g s VAL 88 CO -0.10 0.30 -0.21 -0.69 0.00 0.00 0.00 175.10 174.40 1x5g s VAL 89 N 0.43 1.70 -0.14 2.92 1.01 -0.46 -2.51 120.40 123.36 1x5g s VAL 89 Ca -0.08 -0.87 -0.23 0.00 0.00 0.00 0.00 61.98 60.79 1x5g s VAL 89 Cb -0.12 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 1x5g s VAL 89 CO 0.02 0.48 0.71 0.00 0.00 0.00 0.00 175.10 176.31 1x5g s ALA 90 N -0.09 3.45 -0.31 5.51 0.00 -1.26 -1.78 121.76 127.28 1x5g s ALA 90 Ca -0.03 -0.03 0.01 0.00 0.00 0.00 0.00 51.96 51.91 1x5g s ALA 90 Cb -0.12 -3.03 0.07 0.00 0.00 0.00 0.00 23.12 20.04 1x5g s ALA 90 CO 0.03 -0.39 -0.00 0.71 0.00 0.00 0.00 175.76 176.10 1x5g s TYR 91 N 1.51 3.40 0.51 0.00 1.51 -1.05 -2.53 117.35 120.69 1x5g s TYR 91 Ca 0.35 -2.30 0.02 0.00 -1.01 0.00 0.00 57.07 54.13 1x5g s TYR 91 Cb -0.17 -2.34 -0.01 0.00 -0.11 0.00 0.00 41.96 39.33 1x5g s TYR 91 CO 0.14 -0.88 0.05 0.54 -1.11 0.00 0.00 175.55 174.29 1x5g s ASN 92 N 1.21 4.18 0.23 2.29 4.22 -1.24 -1.84 114.94 123.98 1x5g s ASN 92 Ca -0.02 -1.58 -0.11 0.00 -2.14 0.00 0.00 52.86 49.02 1x5g s ASN 92 Cb -0.20 0.42 0.34 0.00 1.28 0.00 0.00 41.25 43.09 1x5g s ASN 92 CO -0.04 -0.85 1.62 0.07 -2.04 0.00 0.00 177.10 175.86 1x5g h LYS 93 N 1.31 0.03 0.27 3.55 2.10 -1.96 -2.30 116.57 119.57 1x5g h LYS 93 Ca -0.43 -0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.21 1x5g h LYS 93 Cb 1.31 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 32.62 1x5g h LYS 93 CO 0.73 0.02 -0.25 0.45 -2.00 0.00 0.00 179.45 178.40 1x5g h HIS 94 N 0.03 -0.67 0.00 0.07 3.86 -1.94 -3.49 115.15 113.01 1x5g h HIS 94 Ca 0.37 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.58 1x5g h HIS 94 Cb 0.59 0.26 0.00 0.00 1.06 0.00 0.00 27.41 29.32 1x5g h HIS 94 CO -0.53 -0.33 0.00 0.41 0.86 0.00 0.00 177.93 178.34 1x5g n GLY 95 N -1.28 -2.30 3.60 2.45 0.00 -0.87 -5.09 105.19 101.70 1x5g n GLY 95 Ca -0.06 -1.22 -0.43 0.00 0.00 0.00 0.00 46.02 44.31 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 -1.99 3.38 0.00 1.61 0.04 -1.26 -3.66 135.00 133.13 1x5g s PRO 96 Ca 0.00 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.33 1x5g s PRO 96 Cb 0.00 -4.16 0.00 0.00 0.04 0.00 0.00 34.50 30.38 1x5g s PRO 96 CO 0.00 -1.80 0.00 0.41 0.04 0.00 0.00 177.00 175.65 1x5g n GLY 97 N 5.34 -0.89 3.15 0.56 0.00 -1.05 -4.94 105.19 107.36 1x5g n GLY 97 Ca 0.21 -1.65 -0.35 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.81 0.00 -4.74 1.61 0.24 -1.26 -4.72 118.33 108.65 1x5g n VAL 98 Ca 0.00 -0.18 -0.26 0.00 -2.04 0.00 0.00 64.34 61.86 1x5g n VAL 98 Cb 0.00 -0.32 -0.17 0.00 -1.47 0.00 0.00 33.84 31.89 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 -1.45 2.07 0.87 -1.34 0.15 -1.26 -4.33 113.70 108.41 1x5g s SER 99 Ca 0.47 -0.35 -0.12 0.00 0.70 0.00 0.00 55.95 56.64 1x5g s SER 99 Cb -0.03 -0.87 0.09 0.00 -1.71 0.00 0.00 66.02 63.50 1x5g s SER 99 CO 0.67 0.08 0.96 0.35 1.20 0.00 0.00 173.24 176.51 1x5g n THR 100 N 3.62 0.85 -2.21 6.45 -2.24 -1.04 -4.92 114.28 114.78 1x5g n THR 100 Ca -0.21 -0.14 -0.42 0.00 -2.27 0.00 0.00 64.05 61.01 1x5g n THR 100 Cb 0.52 -0.97 -0.03 0.00 -2.10 0.00 0.00 70.33 67.75 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 -4.10 4.35 0.42 -0.78 0.04 -1.26 -4.61 135.00 129.06 1x5g s PRO 101 Ca 0.67 2.04 -0.22 0.00 0.04 0.00 0.00 61.00 63.53 1x5g s PRO 101 Cb -0.26 -3.24 -0.13 0.00 0.04 0.00 0.00 34.50 30.91 1x5g s PRO 101 CO 0.57 -0.37 0.42 -0.40 0.04 0.00 0.00 177.00 177.27 1x5g n ASP 102 N 3.58 -1.44 -3.69 6.66 5.75 -1.26 -4.80 116.55 121.35 1x5g n ASP 102 Ca 0.10 0.88 -0.27 0.00 -0.01 0.00 0.00 54.79 55.48 1x5g n ASP 102 Cb 0.43 -1.05 -0.11 0.00 -1.03 0.00 0.00 41.12 39.36 1x5g n ASP 102 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1x5g n VAL 103 N -0.93 0.82 -2.11 2.12 0.31 0.20 -4.85 118.33 113.88 1x5g n VAL 103 Ca 0.11 -4.47 -0.42 0.00 -0.01 0.00 0.00 64.34 59.56 1x5g n VAL 103 Cb 0.40 -2.02 -0.03 0.00 -0.91 0.00 0.00 33.84 31.28 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 -1.12 3.62 0.02 3.52 0.00 -1.25 -3.06 121.76 123.48 1x5g s ALA 104 Ca 0.29 1.04 0.01 0.00 0.00 0.00 0.00 51.96 53.30 1x5g s ALA 104 Cb 0.01 -3.62 -0.02 0.00 0.00 0.00 0.00 23.12 19.49 1x5g s ALA 104 CO -0.16 -0.92 -0.05 0.54 0.00 0.00 0.00 175.76 175.17 1x5g s VAL 105 N 2.20 0.36 -0.25 0.00 0.11 0.12 -4.87 120.40 118.06 1x5g s VAL 105 Ca 0.67 -0.71 -0.10 0.00 -2.93 0.00 0.00 61.98 58.91 1x5g s VAL 105 Cb -0.35 -0.41 -0.05 0.00 -1.53 0.00 0.00 36.38 34.04 1x5g s VAL 105 CO 0.29 -0.24 0.16 -0.60 -3.33 0.00 0.00 175.10 171.38 1x5g s ARG 106 N -1.01 3.98 1.28 1.54 3.52 -1.26 -0.35 118.95 126.65 1x5g s ARG 106 Ca -0.07 -0.31 -0.18 0.00 -0.13 0.00 0.00 55.73 55.04 1x5g s ARG 106 Cb -0.07 -3.55 0.32 0.00 -1.56 0.00 0.00 34.95 30.09 1x5g s ARG 106 CO -0.00 -0.04 1.00 0.95 -0.81 0.00 0.00 175.30 176.40 1x5g s THR 107 N 1.33 1.59 0.51 4.11 -4.23 -1.14 -4.79 115.64 113.02 1x5g s THR 107 Ca 0.07 0.00 -0.19 0.00 -1.18 0.00 0.00 61.69 60.39 1x5g s THR 107 Cb -0.14 -2.15 -0.08 0.00 1.34 0.00 0.00 72.50 71.47 1x5g s THR 107 CO 0.07 0.00 1.04 -0.76 -0.54 0.00 0.00 174.62 174.42 1x5g s LEU 108 N -7.44 3.78 -0.03 4.79 1.43 -1.26 -4.18 118.68 115.77 1x5g s LEU 108 Ca 0.69 1.89 -0.18 0.00 -1.03 0.00 0.00 54.13 55.50 1x5g s LEU 108 Cb -0.17 -4.55 -0.05 0.00 0.03 0.00 0.00 46.19 41.44 1x5g s LEU 108 CO 0.60 -0.84 0.51 -0.94 0.23 0.00 0.00 176.35 175.91 1x5g s SER 109 N -2.16 6.85 -0.15 2.29 1.04 -1.26 -2.74 113.70 117.57 1x5g s SER 109 Ca 0.66 1.01 -0.12 0.00 0.48 0.00 0.00 55.95 57.99 1x5g s SER 109 Cb -0.16 -2.31 -0.06 0.00 0.10 0.00 0.00 66.02 63.59 1x5g s SER 109 CO 0.23 0.13 -0.26 -0.67 0.98 0.00 0.00 173.24 173.66 1x5g n ASP 110 N 2.75 1.58 -4.74 7.02 2.03 -1.26 -4.98 116.55 118.95 1x5g n ASP 110 Ca -0.09 0.26 -0.40 0.00 0.52 0.00 0.00 54.79 55.09 1x5g n ASP 110 Cb 0.51 -0.61 -0.05 0.00 -0.72 0.00 0.00 41.12 40.25 1x5g n ASP 110 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1x5g s SER 111 N -6.33 7.08 0.33 1.67 0.15 -1.26 -5.00 113.70 110.35 1x5g s SER 111 Ca -0.24 1.29 -0.18 0.00 0.70 0.00 0.00 55.95 57.53 1x5g s SER 111 Cb 0.06 -2.43 -0.13 0.00 -1.71 0.00 0.00 66.02 61.82 1x5g s SER 111 CO 0.33 -0.03 0.08 0.61 1.20 0.00 0.00 173.24 175.43 1x5g n GLY 112 N 2.70 -2.24 3.69 9.45 0.00 -1.26 -4.80 105.19 112.73 1x5g n GLY 112 Ca -0.03 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 1x5g n GLY 112 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5g s PRO 113 N -0.83 4.27 -1.30 1.61 0.04 -1.26 -3.50 135.00 134.03 1x5g s PRO 113 Ca 0.49 2.02 -0.13 0.00 0.04 0.00 0.00 61.00 63.43 1x5g s PRO 113 Cb -0.53 -3.57 0.13 0.00 0.04 0.00 0.00 34.50 30.56 1x5g s PRO 113 CO 0.52 -0.60 0.32 -1.13 0.04 0.00 0.00 177.00 176.15 1x5g n SER 114 N 5.39 -0.79 -4.65 6.66 3.41 -1.26 -4.71 113.62 117.68 1x5g n SER 114 Ca 0.14 -0.91 -0.50 0.00 -0.26 0.00 0.00 58.87 57.34 1x5g n SER 114 Cb 0.43 -1.15 -0.05 0.00 -0.26 0.00 0.00 64.21 63.18 1x5g n SER 114 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1x5g n SER 115 N -1.67 2.51 0.00 4.04 2.88 -1.23 -5.31 113.62 114.85 1x5g n SER 115 Ca 0.00 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.62 1x5g n SER 115 Cb 0.37 -1.29 0.00 0.00 -0.75 0.00 0.00 64.21 62.54 1x5g n SER 115 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42