#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 -0.24 0.50 1.61 1.04 -1.26 -5.18 113.70 110.17 1x5g s SER 2 Ca 0.00 -0.08 0.06 0.00 0.48 0.00 0.00 55.95 56.41 1x5g s SER 2 Cb 0.00 0.41 0.01 0.00 0.10 0.00 0.00 66.02 66.55 1x5g s SER 2 CO 0.00 -0.67 0.35 -0.44 0.98 0.00 0.00 173.24 173.46 1x5g s SER 3 N -2.09 4.66 0.15 7.02 0.01 -1.26 -5.15 113.70 117.04 1x5g s SER 3 Ca -0.04 -1.14 -0.17 0.00 1.31 0.00 0.00 55.95 55.90 1x5g s SER 3 Cb -0.01 0.10 0.06 0.00 0.21 0.00 0.00 66.02 66.38 1x5g s SER 3 CO -0.03 -0.93 0.82 0.61 0.41 0.00 0.00 173.24 174.11 1x5g n GLY 4 N -1.63 0.75 3.42 3.44 0.00 -1.26 -5.19 105.19 104.72 1x5g n GLY 4 Ca -0.01 -1.10 -0.15 0.00 0.00 0.00 0.00 46.02 44.76 1x5g n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5g s SER 5 N -2.93 -0.50 0.19 1.61 0.01 -1.26 -5.18 113.70 105.64 1x5g s SER 5 Ca 0.18 0.27 -0.23 0.00 1.31 0.00 0.00 55.95 57.48 1x5g s SER 5 Cb -0.02 0.51 0.07 0.00 0.21 0.00 0.00 66.02 66.78 1x5g s SER 5 CO 0.04 -0.72 0.97 -0.55 0.41 0.00 0.00 173.24 173.40 1x5g s SER 6 N -1.88 -0.10 0.00 2.44 0.15 -1.26 -5.12 113.70 107.94 1x5g s SER 6 Ca -0.06 -0.56 0.00 0.00 0.70 0.00 0.00 55.95 56.03 1x5g s SER 6 Cb -0.01 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.83 1x5g s SER 6 CO -0.00 -1.01 0.00 0.61 1.20 0.00 0.00 173.24 174.04 1x5g n GLY 7 N -0.55 0.58 3.57 9.45 0.00 -1.26 -5.03 105.19 111.94 1x5g n GLY 7 Ca -0.05 -0.43 -0.27 0.00 0.00 0.00 0.00 46.02 45.27 1x5g n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x5g s ARG 8 N 0.00 2.55 -0.11 1.61 1.81 -1.26 -4.92 118.95 118.63 1x5g s ARG 8 Ca 0.00 -0.56 0.03 0.00 -1.72 0.00 0.00 55.73 53.48 1x5g s ARG 8 Cb 0.00 -5.12 -0.00 0.00 -0.45 0.00 0.00 34.95 29.38 1x5g s ARG 8 CO 0.00 -3.55 -0.21 0.14 -0.68 0.00 0.00 175.30 170.99 1x5g s VAL 9 N 10.33 2.27 -0.91 3.52 -7.23 -1.26 -5.04 120.40 122.07 1x5g s VAL 9 Ca 0.69 -0.94 -0.26 0.00 -1.81 0.00 0.00 61.98 59.67 1x5g s VAL 9 Cb -0.05 -1.89 -0.14 0.00 0.56 0.00 0.00 36.38 34.85 1x5g s VAL 9 CO 0.03 0.55 2.23 -1.61 -0.31 0.00 0.00 175.10 176.00 1x5g s GLU 10 N 0.42 1.68 -0.53 4.82 2.02 -1.26 -4.83 118.70 121.02 1x5g s GLU 10 Ca -0.16 0.02 0.04 0.00 0.02 0.00 0.00 54.97 54.89 1x5g s GLU 10 Cb -0.17 -4.91 0.14 0.00 0.10 0.00 0.00 34.13 29.29 1x5g s GLU 10 CO 0.07 -4.55 0.31 0.99 0.02 0.00 0.00 175.26 172.09 1x5g s THR 11 N 14.47 2.17 0.67 3.63 2.01 -1.26 -5.11 115.64 132.22 1x5g s THR 11 Ca 0.85 -3.26 -0.17 0.00 0.31 0.00 0.00 61.69 59.41 1x5g s THR 11 Cb -0.09 -2.49 0.00 0.00 0.01 0.00 0.00 72.50 69.93 1x5g s THR 11 CO 0.10 -0.90 1.27 0.00 -0.69 0.00 0.00 174.62 174.40 1x5g s GLN 12 N -0.33 2.44 0.82 4.92 -2.07 -1.26 -4.99 119.66 119.18 1x5g s GLN 12 Ca 0.20 1.98 -0.11 0.00 -1.82 0.00 0.00 55.36 55.61 1x5g s GLN 12 Cb -0.19 -1.84 0.08 0.00 -1.09 0.00 0.00 33.01 29.97 1x5g s GLN 12 CO -0.05 -1.66 1.09 -1.25 -1.32 0.00 0.00 175.29 172.10 1x5g s PRO 13 N -3.52 1.90 0.35 9.60 0.04 -1.26 -5.07 135.00 137.05 1x5g s PRO 13 Ca 0.80 1.05 0.06 0.00 0.04 0.00 0.00 61.00 62.95 1x5g s PRO 13 Cb -0.35 -1.87 0.06 0.00 0.04 0.00 0.00 34.50 32.38 1x5g s PRO 13 CO 0.41 -1.86 0.48 0.39 0.04 0.00 0.00 177.00 176.46 1x5g n GLU 14 N -3.65 0.77 -0.00 4.56 4.71 -1.26 -5.06 120.64 120.71 1x5g n GLU 14 Ca 0.08 -1.90 0.03 0.00 -0.01 0.00 0.00 57.16 55.36 1x5g n GLU 14 Cb 0.54 -0.13 -0.05 0.00 -1.01 0.00 0.00 31.44 30.78 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 -1.75 0.00 -0.66 2.62 0.24 -1.26 -4.63 118.33 112.89 1x5g n VAL 15 Ca 0.10 -0.17 -0.08 0.00 -2.04 0.00 0.00 64.34 62.15 1x5g n VAL 15 Cb 0.36 0.40 0.02 0.00 -1.47 0.00 0.00 33.84 33.15 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 -1.69 1.39 -2.38 7.34 -0.00 -1.26 -4.91 117.38 115.87 1x5g n GLN 16 Ca -0.01 -0.76 -0.28 0.00 -0.00 0.00 0.00 57.00 55.95 1x5g n GLN 16 Cb 0.17 -1.30 0.01 0.00 -0.00 0.00 0.00 30.24 29.12 1x5g n GLN 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1x5g s LEU 17 N -0.88 3.41 0.65 2.61 2.01 -1.26 -4.35 118.68 120.86 1x5g s LEU 17 Ca 0.15 0.99 -0.15 0.00 0.01 0.00 0.00 54.13 55.12 1x5g s LEU 17 Cb 0.12 -3.92 -0.01 0.00 0.01 0.00 0.00 46.19 42.39 1x5g s LEU 17 CO -0.00 -0.80 1.11 -2.16 1.01 0.00 0.00 176.35 175.51 1x5g s PRO 18 N -4.93 2.85 0.83 1.29 0.04 -1.26 -4.41 135.00 129.41 1x5g s PRO 18 Ca 0.51 1.41 -0.12 0.00 0.04 0.00 0.00 61.00 62.84 1x5g s PRO 18 Cb -0.11 -1.96 0.09 0.00 0.04 0.00 0.00 34.50 32.57 1x5g s PRO 18 CO 0.47 -1.21 1.12 0.20 0.04 0.00 0.00 177.00 177.62 1x5g s GLY 19 N -2.52 1.60 0.21 0.56 0.00 -1.21 -3.69 107.32 102.27 1x5g s GLY 19 Ca 0.67 -0.39 -0.30 0.00 0.00 0.00 0.00 44.72 44.70 1x5g s GLY 19 CO 0.40 0.08 1.30 2.56 0.00 0.00 0.00 173.10 177.44 1x5g s PRO 20 N -5.28 4.40 -0.25 2.90 0.04 -1.26 -4.64 135.00 130.90 1x5g s PRO 20 Ca 0.62 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 63.40 1x5g s PRO 20 Cb -0.14 -3.19 -0.07 0.00 0.04 0.00 0.00 34.50 31.15 1x5g s PRO 20 CO 0.53 -0.23 2.22 0.00 0.04 0.00 0.00 177.00 179.56 1x5g n ALA 21 N 2.49 1.61 -1.05 8.56 0.00 -1.26 -4.52 120.51 126.34 1x5g n ALA 21 Ca 0.06 -0.21 -0.17 0.00 0.00 0.00 0.00 53.44 53.12 1x5g n ALA 21 Cb 0.43 -2.83 0.22 0.00 0.00 0.00 0.00 19.45 17.26 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 8.63 -2.85 -4.29 0.00 -0.04 -1.19 -4.07 135.00 131.19 1x5g n PRO 22 Ca 0.33 -1.50 -0.36 0.00 -0.04 0.00 0.00 63.50 61.93 1x5g n PRO 22 Cb 0.39 -1.40 -0.05 0.00 -0.04 0.00 0.00 33.50 32.40 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 -4.61 -1.92 -4.56 3.54 5.03 -1.26 -1.06 115.26 110.42 1x5g n ASN 23 Ca 0.13 -1.11 -0.41 0.00 0.87 0.00 0.00 54.58 54.06 1x5g n ASN 23 Cb 0.50 -2.34 -0.03 0.00 -1.02 0.00 0.00 39.78 36.90 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 3.30 0.31 3.41 2.96 -1.26 -3.93 118.68 116.24 1x5g s LEU 24 Ca 0.56 0.02 0.09 0.00 -0.22 0.00 0.00 54.13 54.58 1x5g s LEU 24 Cb -0.32 -2.81 -0.04 0.00 0.50 0.00 0.00 46.19 43.52 1x5g s LEU 24 CO 0.96 -1.84 0.09 -0.13 -1.32 0.00 0.00 176.35 174.11 1x5g s ARG 25 N 5.78 2.37 -0.29 1.98 1.81 0.96 -5.01 118.95 126.55 1x5g s ARG 25 Ca 0.48 -1.48 -0.14 0.00 -1.72 0.00 0.00 55.73 52.86 1x5g s ARG 25 Cb -0.10 -2.18 0.10 0.00 -0.45 0.00 0.00 34.95 32.32 1x5g s ARG 25 CO 0.21 0.22 0.70 0.00 -0.68 0.00 0.00 175.30 175.75 1x5g s ALA 26 N -2.38 -1.97 0.00 2.13 0.00 -1.26 -2.15 121.76 116.13 1x5g s ALA 26 Ca 0.35 2.39 -0.05 0.00 0.00 0.00 0.00 51.96 54.64 1x5g s ALA 26 Cb -0.04 -1.56 -0.00 0.00 0.00 0.00 0.00 23.12 21.52 1x5g s ALA 26 CO 0.22 -0.54 0.10 1.52 0.00 0.00 0.00 175.76 177.05 1x5g s TYR 27 N 1.99 0.07 -0.46 0.00 1.13 -0.60 -5.00 117.35 114.48 1x5g s TYR 27 Ca -0.09 -0.16 -0.22 0.00 -1.41 0.00 0.00 57.07 55.19 1x5g s TYR 27 Cb -0.07 -0.07 0.03 0.00 -1.10 0.00 0.00 41.96 40.75 1x5g s TYR 27 CO -0.19 -0.24 0.74 0.00 -2.51 0.00 0.00 175.55 173.35 1x5g s ALA 28 N -1.21 3.30 0.09 9.51 0.00 -1.26 -1.42 121.76 130.77 1x5g s ALA 28 Ca -0.13 -1.13 -0.11 0.00 0.00 0.00 0.00 51.96 50.60 1x5g s ALA 28 Cb -0.07 -3.43 -0.18 0.00 0.00 0.00 0.00 23.12 19.43 1x5g s ALA 28 CO 0.01 -1.92 1.23 0.00 0.00 0.00 0.00 175.76 175.08 1x5g h ALA 29 N 8.97 0.21 -2.37 0.00 0.00 -1.90 -3.43 119.26 120.74 1x5g h ALA 29 Ca -0.25 -0.70 -0.17 0.00 0.00 0.00 0.00 54.91 53.79 1x5g h ALA 29 Cb 1.09 0.03 -0.16 0.00 0.00 0.00 0.00 17.79 18.75 1x5g h ALA 29 CO 0.95 0.73 -0.69 -1.12 0.00 0.00 0.00 179.25 179.12 1x5g s SER 30 N -7.22 0.70 0.00 0.00 0.01 -1.25 -5.00 113.70 100.94 1x5g s SER 30 Ca -0.09 -0.93 0.09 0.00 1.31 0.00 0.00 55.95 56.34 1x5g s SER 30 Cb 0.08 0.15 0.57 0.00 0.21 0.00 0.00 66.02 67.02 1x5g s SER 30 CO 0.90 -0.50 1.01 -0.81 0.41 0.00 0.00 173.24 174.25 1x5g n PRO 31 N 0.29 0.49 0.00 12.44 -0.04 -1.26 -2.05 135.00 144.87 1x5g n PRO 31 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1x5g n PRO 31 Cb 0.60 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.76 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 -0.80 0.00 -4.29 0.52 -2.24 -1.26 -3.25 114.28 102.95 1x5g n THR 32 Ca 0.07 -0.20 -0.18 0.00 -2.27 0.00 0.00 64.05 61.47 1x5g n THR 32 Cb 0.03 1.41 -0.09 0.00 -2.10 0.00 0.00 70.33 69.58 1x5g n THR 32 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1x5g s SER 33 N -0.13 1.46 -0.23 3.42 1.04 -0.87 0.60 113.70 118.99 1x5g s SER 33 Ca 0.00 -1.66 -0.13 0.00 0.48 0.00 0.00 55.95 54.64 1x5g s SER 33 Cb 0.00 0.50 0.07 0.00 0.10 0.00 0.00 66.02 66.69 1x5g s SER 33 CO 0.00 -0.99 0.57 -0.63 0.98 0.00 0.00 173.24 173.17 1x5g s ILE 34 N -3.58 -0.06 -0.11 -1.02 1.01 0.97 -3.77 121.20 114.64 1x5g s ILE 34 Ca 0.39 0.04 -0.05 0.00 0.00 0.00 0.00 60.65 61.03 1x5g s ILE 34 Cb 0.04 -0.84 -0.04 0.00 0.01 0.00 0.00 42.46 41.63 1x5g s ILE 34 CO 0.23 0.02 0.08 -0.89 0.00 0.00 0.00 174.94 174.37 1x5g s THR 35 N 1.61 4.95 -0.04 2.92 2.01 -0.51 -0.76 115.64 125.82 1x5g s THR 35 Ca -0.09 -0.00 0.02 0.00 0.31 0.00 0.00 61.69 61.92 1x5g s THR 35 Cb -0.07 -3.13 0.01 0.00 0.01 0.00 0.00 72.50 69.33 1x5g s THR 35 CO -0.17 0.61 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.61 1x5g s VAL 36 N -0.93 0.70 -0.09 3.82 1.01 -0.88 -1.56 120.40 122.47 1x5g s VAL 36 Ca 0.14 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 61.90 1x5g s VAL 36 Cb -0.12 -0.67 0.01 0.00 0.00 0.00 0.00 36.38 35.60 1x5g s VAL 36 CO 0.03 0.25 -0.19 0.42 0.00 0.00 0.00 175.10 175.61 1x5g s THR 37 N 0.64 1.67 0.16 3.92 -4.23 -0.91 -2.53 115.64 114.36 1x5g s THR 37 Ca -0.10 -0.79 0.02 0.00 -1.18 0.00 0.00 61.69 59.65 1x5g s THR 37 Cb -0.13 -1.47 -0.05 0.00 1.34 0.00 0.00 72.50 72.20 1x5g s THR 37 CO 0.01 0.47 -0.03 -1.66 -0.54 0.00 0.00 174.62 172.87 1x5g s TRP 38 N 0.49 1.20 0.34 3.99 -2.14 -1.24 -0.03 118.94 121.56 1x5g s TRP 38 Ca -0.17 -0.94 0.09 0.00 2.66 0.00 0.00 56.10 57.74 1x5g s TRP 38 Cb -0.17 -0.67 -0.05 0.00 -3.10 0.00 0.00 33.47 29.48 1x5g s TRP 38 CO 0.06 -0.13 0.07 -1.21 -2.66 0.00 0.00 176.95 173.09 1x5g s GLU 39 N -3.86 2.19 0.10 3.25 0.41 -0.23 -4.80 118.70 115.76 1x5g s GLU 39 Ca 0.21 -1.68 -0.24 0.00 -0.41 0.00 0.00 54.97 52.85 1x5g s GLU 39 Cb 0.05 -2.02 -0.07 0.00 -1.78 0.00 0.00 34.13 30.32 1x5g s GLU 39 CO 0.02 0.11 0.72 0.99 -0.49 0.00 0.00 175.26 176.61 1x5g s THR 40 N -2.49 4.59 -0.00 3.63 2.01 -1.26 -3.16 115.64 118.96 1x5g s THR 40 Ca 0.36 1.55 -0.30 0.00 0.31 0.00 0.00 61.69 63.61 1x5g s THR 40 Cb -0.01 -4.07 -0.06 0.00 0.01 0.00 0.00 72.50 68.38 1x5g s THR 40 CO 0.21 0.47 1.45 -2.16 -0.69 0.00 0.00 174.62 173.90 1x5g s PRO 41 N -0.74 4.26 0.37 4.92 0.04 -1.26 -4.61 135.00 137.98 1x5g s PRO 41 Ca 0.35 2.02 0.15 0.00 0.04 0.00 0.00 61.00 63.55 1x5g s PRO 41 Cb -0.21 -3.61 0.73 0.00 0.04 0.00 0.00 34.50 31.45 1x5g s PRO 41 CO 0.23 -0.62 1.80 -0.39 0.04 0.00 0.00 177.00 178.06 1x5g h VAL 42 N 4.97 1.16 -2.62 -0.36 -1.51 -1.94 -3.45 116.25 112.50 1x5g h VAL 42 Ca -0.38 -1.37 -0.45 0.00 -1.23 0.00 0.00 66.70 63.27 1x5g h VAL 42 Cb 1.18 1.76 0.04 0.00 -2.13 0.00 0.00 31.29 32.14 1x5g h VAL 42 CO 0.91 0.38 -0.08 -0.55 -1.23 0.00 0.00 177.57 177.00 1x5g s SER 43 N -6.76 5.61 0.00 4.19 0.15 -1.26 -5.03 113.70 110.60 1x5g s SER 43 Ca -0.02 0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.78 1x5g s SER 43 Cb 0.13 -1.26 0.00 0.00 -1.71 0.00 0.00 66.02 63.19 1x5g s SER 43 CO 0.71 -0.87 0.00 0.61 1.20 0.00 0.00 173.24 174.89 1x5g n GLY 44 N -2.17 0.56 2.86 9.45 0.00 -1.26 -3.35 105.19 111.28 1x5g n GLY 44 Ca 0.04 -2.16 -0.30 0.00 0.00 0.00 0.00 46.02 43.60 1x5g n GLY 44 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1x5g s ASN 45 N -3.48 3.81 0.00 1.61 -0.87 -1.26 -4.99 114.94 109.76 1x5g s ASN 45 Ca 0.00 -1.32 0.00 0.00 -1.57 0.00 0.00 52.86 49.97 1x5g s ASN 45 Cb 0.00 -1.04 0.00 0.00 -0.02 0.00 0.00 41.25 40.19 1x5g s ASN 45 CO 0.00 -0.31 0.00 0.61 -2.57 0.00 0.00 177.10 174.83 1x5g n GLY 46 N 4.74 0.13 3.89 0.66 0.00 -1.26 -4.81 105.19 108.55 1x5g n GLY 46 Ca -0.07 -1.79 -0.29 0.00 0.00 0.00 0.00 46.02 43.87 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 -2.20 3.67 0.48 1.61 -1.05 -1.26 -5.03 118.70 114.92 1x5g s GLU 47 Ca 0.00 0.27 -0.11 0.00 -0.15 0.00 0.00 54.97 54.97 1x5g s GLU 47 Cb 0.00 -2.45 -0.06 0.00 -0.44 0.00 0.00 34.13 31.18 1x5g s GLU 47 CO 0.00 -0.02 0.87 0.42 0.95 0.00 0.00 175.26 177.47 1x5g s ILE 48 N -2.41 4.73 -0.02 1.83 -1.09 -1.26 -4.68 121.20 118.30 1x5g s ILE 48 Ca 0.48 0.75 0.00 0.00 -2.23 0.00 0.00 60.65 59.66 1x5g s ILE 48 Cb -0.10 -3.77 -0.01 0.00 -1.58 0.00 0.00 42.46 36.99 1x5g s ILE 48 CO 0.35 -0.71 -0.01 0.00 -1.23 0.00 0.00 174.94 173.34 1x5g n GLN 49 N -1.73 0.56 -3.98 2.79 3.00 -1.22 -5.04 117.38 111.76 1x5g n GLN 49 Ca 0.04 0.01 -0.08 0.00 -0.01 0.00 0.00 57.00 56.96 1x5g n GLN 49 Cb 0.54 -1.04 -0.09 0.00 0.00 0.00 0.00 30.24 29.66 1x5g n GLN 49 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 1x5g s ASN 50 N -4.05 0.30 -0.16 1.08 -0.87 -1.16 -5.04 114.94 105.05 1x5g s ASN 50 Ca -0.02 -0.85 -0.00 0.00 -1.57 0.00 0.00 52.86 50.42 1x5g s ASN 50 Cb 0.01 0.27 0.03 0.00 -0.02 0.00 0.00 41.25 41.54 1x5g s ASN 50 CO 0.05 -0.67 -0.08 -0.31 -2.57 0.00 0.00 177.10 173.51 1x5g s TYR 51 N -3.90 1.86 -0.07 2.20 2.02 -1.15 -3.13 117.35 115.18 1x5g s TYR 51 Ca 0.07 -1.11 -0.19 0.00 -0.37 0.00 0.00 57.07 55.46 1x5g s TYR 51 Cb 0.06 -1.40 -0.04 0.00 -0.40 0.00 0.00 41.96 40.17 1x5g s TYR 51 CO -0.10 -0.62 0.54 0.21 -1.57 0.00 0.00 175.55 174.01 1x5g s LYS 52 N 1.58 4.32 -0.13 -0.62 2.20 -1.05 -2.60 119.74 123.44 1x5g s LYS 52 Ca 0.02 0.59 0.02 0.00 -0.36 0.00 0.00 55.97 56.25 1x5g s LYS 52 Cb -0.14 -3.40 0.01 0.00 -1.51 0.00 0.00 37.83 32.79 1x5g s LYS 52 CO -0.08 0.23 -0.21 -1.17 -0.36 0.00 0.00 175.35 173.76 1x5g s LEU 53 N 0.34 2.03 0.04 5.43 2.96 -1.00 -1.64 118.68 126.83 1x5g s LEU 53 Ca 0.29 -0.56 0.01 0.00 -0.22 0.00 0.00 54.13 53.64 1x5g s LEU 53 Cb -0.16 -1.37 -0.04 0.00 0.50 0.00 0.00 46.19 45.12 1x5g s LEU 53 CO 0.14 0.07 0.12 -0.31 -1.32 0.00 0.00 176.35 175.05 1x5g s TYR 54 N 0.82 3.34 -0.17 5.38 1.51 -0.90 -0.67 117.35 126.67 1x5g s TYR 54 Ca -0.08 0.19 -0.11 0.00 -1.01 0.00 0.00 57.07 56.07 1x5g s TYR 54 Cb -0.16 -1.71 0.05 0.00 -0.11 0.00 0.00 41.96 40.03 1x5g s TYR 54 CO -0.01 0.56 0.41 1.52 -1.11 0.00 0.00 175.55 176.92 1x5g s TYR 55 N -1.35 -0.56 0.17 2.71 1.13 -1.24 -3.01 117.35 115.21 1x5g s TYR 55 Ca 0.28 1.24 -0.20 0.00 -1.41 0.00 0.00 57.07 56.99 1x5g s TYR 55 Cb -0.12 0.23 0.04 0.00 -1.10 0.00 0.00 41.96 41.02 1x5g s TYR 55 CO 0.20 -0.31 0.54 0.00 -2.51 0.00 0.00 175.55 173.48 1x5g s MET 56 N 1.03 1.30 0.13 -3.49 0.23 -1.07 -3.12 119.30 114.31 1x5g s MET 56 Ca -0.07 -0.69 -0.28 0.00 -1.03 0.00 0.00 55.69 53.63 1x5g s MET 56 Cb -0.07 0.54 -0.07 0.00 -1.53 0.00 0.00 34.83 33.71 1x5g s MET 56 CO -0.09 -0.56 0.86 -1.21 -2.03 0.00 0.00 175.02 172.00 1x5g s GLU 57 N -3.81 4.64 -0.44 3.16 2.02 -1.26 0.17 118.70 123.18 1x5g s GLU 57 Ca 0.05 1.29 -0.26 0.00 0.02 0.00 0.00 54.97 56.06 1x5g s GLU 57 Cb -0.01 -3.33 -0.07 0.00 0.10 0.00 0.00 34.13 30.83 1x5g s GLU 57 CO -0.08 0.37 2.38 1.17 0.02 0.00 0.00 175.26 179.12 1x5g n LYS 58 N 2.28 1.21 0.00 1.61 3.00 -1.07 -2.25 118.16 122.95 1x5g n LYS 58 Ca -0.02 0.10 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 1x5g n LYS 58 Cb 0.49 -3.41 0.00 0.00 0.00 0.00 0.00 35.03 32.11 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 5.97 0.87 0.00 3.14 0.00 -1.26 -4.98 105.19 108.94 1x5g n GLY 59 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 -1.96 2.61 -1.04 -0.95 -5.03 114.28 107.90 1x5g n THR 60 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 1x5g n THR 60 Cb 0.00 -0.57 -0.01 0.00 -1.82 0.00 0.00 70.33 67.93 1x5g n THR 60 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1x5g n ASP 61 N -2.01 -3.34 -3.54 8.00 2.03 -1.26 -4.98 116.55 111.45 1x5g n ASP 61 Ca 0.00 0.04 -0.28 0.00 0.52 0.00 0.00 54.79 55.08 1x5g n ASP 61 Cb 0.39 -2.39 -0.11 0.00 -0.72 0.00 0.00 41.12 38.29 1x5g n ASP 61 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1x5g s LYS 62 N -4.06 1.22 0.51 -0.67 2.47 -1.26 -5.12 119.74 112.83 1x5g s LYS 62 Ca 0.00 -2.25 -0.20 0.00 -1.56 0.00 0.00 55.97 51.96 1x5g s LYS 62 Cb 0.00 -1.91 -0.07 0.00 -1.46 0.00 0.00 37.83 34.39 1x5g s LYS 62 CO 0.00 -1.32 1.07 -2.00 0.16 0.00 0.00 175.35 173.26 1x5g s GLU 63 N -0.09 3.62 0.48 4.03 2.12 -1.26 -4.70 118.70 122.90 1x5g s GLU 63 Ca 0.28 1.42 0.01 0.00 0.36 0.00 0.00 54.97 57.04 1x5g s GLU 63 Cb -0.04 -2.06 -0.00 0.00 0.26 0.00 0.00 34.13 32.28 1x5g s GLU 63 CO -0.14 -0.59 0.04 1.04 -0.54 0.00 0.00 175.26 175.07 1x5g n GLN 64 N -1.17 0.73 -3.68 4.30 6.02 -1.18 -4.97 117.38 117.43 1x5g n GLN 64 Ca 0.10 -3.59 -0.10 0.00 -0.01 0.00 0.00 57.00 53.40 1x5g n GLN 64 Cb 0.52 1.22 -0.10 0.00 1.02 0.00 0.00 30.24 32.90 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 -3.68 -0.62 -0.05 1.08 -4.77 -1.26 -3.61 116.67 103.75 1x5g s ASP 65 Ca 0.06 1.05 0.03 0.00 -3.30 0.00 0.00 52.55 50.39 1x5g s ASP 65 Cb 0.00 0.94 0.00 0.00 -1.09 0.00 0.00 42.92 42.78 1x5g s ASP 65 CO 0.04 -0.20 -0.14 0.68 0.70 0.00 0.00 175.17 176.24 1x5g s VAL 66 N 1.37 1.26 -0.27 2.11 -7.23 0.15 -4.96 120.40 112.83 1x5g s VAL 66 Ca -0.09 -0.59 -0.29 0.00 -1.81 0.00 0.00 61.98 59.20 1x5g s VAL 66 Cb -0.07 -1.12 0.01 0.00 0.56 0.00 0.00 36.38 35.76 1x5g s VAL 66 CO -0.13 0.38 1.18 1.51 -0.31 0.00 0.00 175.10 177.72 1x5g s ASP 67 N 0.34 6.88 0.05 4.85 -4.77 -1.26 -2.36 116.67 120.39 1x5g s ASP 67 Ca -0.09 1.26 0.08 0.00 -3.30 0.00 0.00 52.55 50.50 1x5g s ASP 67 Cb -0.13 -2.54 -0.03 0.00 -1.09 0.00 0.00 42.92 39.13 1x5g s ASP 67 CO 0.03 -0.89 -0.21 -0.69 0.70 0.00 0.00 175.17 174.11 1x5g s VAL 68 N 3.78 1.72 -0.20 2.11 1.01 -1.07 -5.04 120.40 122.71 1x5g s VAL 68 Ca 0.50 -1.27 0.06 0.00 0.00 0.00 0.00 61.98 61.27 1x5g s VAL 68 Cb -0.16 -1.50 -0.17 0.00 0.00 0.00 0.00 36.38 34.56 1x5g s VAL 68 CO 0.16 0.18 -0.10 -0.24 0.00 0.00 0.00 175.10 175.09 1x5g n SER 69 N 1.72 1.79 -4.71 3.32 2.88 -1.26 -2.95 113.62 114.40 1x5g n SER 69 Ca -0.17 -0.08 -0.29 0.00 -1.33 0.00 0.00 58.87 57.00 1x5g n SER 69 Cb 0.53 0.10 0.11 0.00 -0.75 0.00 0.00 64.21 64.20 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 -5.75 4.19 0.09 -3.46 0.01 -1.26 -4.88 113.70 102.64 1x5g s SER 70 Ca -0.22 0.60 -0.02 0.00 1.31 0.00 0.00 55.95 57.61 1x5g s SER 70 Cb 0.07 -0.99 -0.26 0.00 0.21 0.00 0.00 66.02 65.05 1x5g s SER 70 CO 0.57 -2.08 1.18 0.45 0.41 0.00 0.00 173.24 173.77 1x5g h HIS 71 N -1.14 0.42 -3.71 2.43 3.86 -1.95 -3.46 115.15 111.60 1x5g h HIS 71 Ca -0.45 -0.30 -0.68 0.00 -1.16 0.00 0.00 60.37 57.78 1x5g h HIS 71 Cb 1.30 -0.02 -0.19 0.00 1.06 0.00 0.00 27.41 29.57 1x5g h HIS 71 CO -0.06 1.23 -0.73 -1.54 0.86 0.00 0.00 177.93 177.69 1x5g s SER 72 N -7.07 4.43 0.02 2.45 1.04 -1.26 -3.61 113.70 109.70 1x5g s SER 72 Ca -0.03 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.22 1x5g s SER 72 Cb 0.08 -0.99 -0.02 0.00 0.10 0.00 0.00 66.02 65.19 1x5g s SER 72 CO 0.87 0.29 -0.04 -0.47 0.98 0.00 0.00 173.24 174.88 1x5g s TYR 73 N -0.94 0.33 -0.22 5.02 5.04 -1.05 -5.02 117.35 120.51 1x5g s TYR 73 Ca 0.16 -0.52 -0.00 0.00 -2.44 0.00 0.00 57.07 54.27 1x5g s TYR 73 Cb -0.11 -0.23 0.03 0.00 0.35 0.00 0.00 41.96 42.00 1x5g s TYR 73 CO 0.06 -0.17 -0.12 0.99 -1.34 0.00 0.00 175.55 174.97 1x5g s THR 74 N -1.43 2.51 -0.30 4.34 2.01 -1.26 -2.08 115.64 119.42 1x5g s THR 74 Ca -0.15 -1.06 -0.16 0.00 0.31 0.00 0.00 61.69 60.64 1x5g s THR 74 Cb -0.10 -2.22 -0.03 0.00 0.01 0.00 0.00 72.50 70.16 1x5g s THR 74 CO -0.01 0.30 0.40 -0.63 -0.69 0.00 0.00 174.62 173.99 1x5g s ILE 75 N 1.29 5.14 0.45 1.82 1.01 0.06 -4.92 121.20 126.06 1x5g s ILE 75 Ca 0.01 0.44 0.08 0.00 0.00 0.00 0.00 60.65 61.17 1x5g s ILE 75 Cb -0.16 -3.77 0.00 0.00 0.01 0.00 0.00 42.46 38.54 1x5g s ILE 75 CO -0.07 0.04 0.45 0.20 0.00 0.00 0.00 174.94 175.55 1x5g s ASN 76 N 1.68 5.07 -0.26 3.58 -0.87 -1.26 -0.02 114.94 122.85 1x5g s ASN 76 Ca 0.15 -0.79 -0.01 0.00 -1.57 0.00 0.00 52.86 50.64 1x5g s ASN 76 Cb -0.16 -0.36 -0.01 0.00 -0.02 0.00 0.00 41.25 40.71 1x5g s ASN 76 CO 0.11 -0.80 0.22 0.61 -2.57 0.00 0.00 177.10 174.67 1x5g n GLY 77 N -1.68 0.37 3.33 0.66 0.00 -0.40 -4.92 105.19 102.54 1x5g n GLY 77 Ca 0.05 -0.17 -0.17 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.37 2.43 0.90 0.99 1.43 0.20 -5.00 118.68 116.26 1x5g s LEU 78 Ca 0.07 -1.10 -0.13 0.00 -1.03 0.00 0.00 54.13 51.94 1x5g s LEU 78 Cb -0.01 -0.46 0.13 0.00 0.03 0.00 0.00 46.19 45.88 1x5g s LEU 78 CO 0.17 -0.34 1.16 -0.54 0.23 0.00 0.00 176.35 177.03 1x5g s LYS 79 N -3.75 1.25 -0.04 1.70 1.02 -1.26 -4.26 119.74 114.39 1x5g s LYS 79 Ca 0.24 0.17 -0.08 0.00 0.02 0.00 0.00 55.97 56.31 1x5g s LYS 79 Cb 0.03 -1.86 -0.05 0.00 -0.52 0.00 0.00 37.83 35.43 1x5g s LYS 79 CO 0.06 -2.10 0.25 0.15 -0.92 0.00 0.00 175.35 172.79 1x5g s LYS 80 N -5.42 3.59 -1.39 1.68 3.01 -1.20 -4.36 119.74 115.65 1x5g s LYS 80 Ca 0.64 -0.00 -0.07 0.00 -1.01 0.00 0.00 55.97 55.53 1x5g s LYS 80 Cb -0.13 -3.15 0.03 0.00 -1.01 0.00 0.00 37.83 33.58 1x5g s LYS 80 CO 0.52 0.71 0.96 0.98 0.51 0.00 0.00 175.35 179.02 1x5g n TYR 81 N 1.58 -2.32 -4.77 3.18 9.36 -1.10 -4.92 117.16 118.18 1x5g n TYR 81 Ca -0.15 0.92 -0.25 0.00 3.32 0.00 0.00 57.90 61.74 1x5g n TYR 81 Cb 0.54 -4.48 -0.16 0.00 -0.63 0.00 0.00 39.34 34.60 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 -3.41 1.33 0.34 2.97 2.01 -1.26 -4.85 115.64 112.76 1x5g s THR 82 Ca 0.38 -0.67 -0.26 0.00 0.31 0.00 0.00 61.69 61.46 1x5g s THR 82 Cb -0.18 -1.14 -0.10 0.00 0.01 0.00 0.00 72.50 71.09 1x5g s THR 82 CO 0.79 0.38 0.97 -0.70 -0.69 0.00 0.00 174.62 175.37 1x5g s GLU 83 N -0.00 4.49 -0.03 4.92 2.12 -1.26 -1.94 118.70 127.00 1x5g s GLU 83 Ca -0.02 1.36 -0.01 0.00 0.36 0.00 0.00 54.97 56.66 1x5g s GLU 83 Cb -0.10 -2.73 0.03 0.00 0.26 0.00 0.00 34.13 31.59 1x5g s GLU 83 CO 0.02 0.19 0.05 0.71 -0.54 0.00 0.00 175.26 175.69 1x5g s TYR 84 N -1.64 -0.01 0.34 5.30 1.51 -0.05 -2.61 117.35 120.19 1x5g s TYR 84 Ca 0.52 0.20 -0.17 0.00 -1.01 0.00 0.00 57.07 56.62 1x5g s TYR 84 Cb -0.19 -0.20 -0.09 0.00 -0.11 0.00 0.00 41.96 41.36 1x5g s TYR 84 CO 0.24 -0.11 0.79 0.45 -1.11 0.00 0.00 175.55 175.82 1x5g s SER 85 N 1.08 6.84 -0.08 2.29 0.15 0.13 -1.31 113.70 122.79 1x5g s SER 85 Ca -0.09 1.39 -0.08 0.00 0.70 0.00 0.00 55.95 57.87 1x5g s SER 85 Cb -0.13 -2.42 0.02 0.00 -1.71 0.00 0.00 66.02 61.79 1x5g s SER 85 CO -0.04 -0.23 0.22 -0.36 1.20 0.00 0.00 173.24 174.04 1x5g s PHE 86 N -2.00 -0.24 -0.16 3.44 0.08 -1.14 -2.59 117.98 115.37 1x5g s PHE 86 Ca 0.55 0.57 -0.10 0.00 0.12 0.00 0.00 56.93 58.08 1x5g s PHE 86 Cb -0.10 0.08 0.05 0.00 -0.57 0.00 0.00 43.02 42.48 1x5g s PHE 86 CO 0.17 -0.13 0.39 -0.98 -0.10 0.00 0.00 175.22 174.57 1x5g s ARG 87 N 0.04 0.40 -0.20 0.44 1.70 -1.16 0.15 118.95 120.31 1x5g s ARG 87 Ca -0.01 0.71 -0.10 0.00 -0.47 0.00 0.00 55.73 55.86 1x5g s ARG 87 Cb -0.02 0.04 -0.05 0.00 -0.57 0.00 0.00 34.95 34.35 1x5g s ARG 87 CO 0.00 -0.13 0.12 0.08 -1.08 0.00 0.00 175.30 174.30 1x5g s VAL 88 N 1.07 5.32 -0.04 4.99 1.01 -1.26 -2.11 120.40 129.37 1x5g s VAL 88 Ca -0.07 0.16 0.06 0.00 0.00 0.00 0.00 61.98 62.13 1x5g s VAL 88 Cb -0.07 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 1x5g s VAL 88 CO -0.09 0.44 -0.23 -0.69 0.00 0.00 0.00 175.10 174.53 1x5g s VAL 89 N 0.41 2.26 -0.16 2.92 1.01 -0.65 -3.13 120.40 123.06 1x5g s VAL 89 Ca 0.07 -1.01 -0.23 0.00 0.00 0.00 0.00 61.98 60.81 1x5g s VAL 89 Cb -0.11 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 1x5g s VAL 89 CO -0.01 0.58 0.71 0.00 0.00 0.00 0.00 175.10 176.38 1x5g s ALA 90 N -0.42 3.49 -0.27 5.51 0.00 -1.26 -2.54 121.76 126.27 1x5g s ALA 90 Ca 0.04 -0.07 0.03 0.00 0.00 0.00 0.00 51.96 51.96 1x5g s ALA 90 Cb -0.12 -3.05 0.07 0.00 0.00 0.00 0.00 23.12 20.02 1x5g s ALA 90 CO 0.01 -0.48 -0.07 0.71 0.00 0.00 0.00 175.76 175.94 1x5g s TYR 91 N 1.72 3.14 0.43 0.00 1.51 -1.18 -1.60 117.35 121.36 1x5g s TYR 91 Ca 0.34 -2.31 0.06 0.00 -1.01 0.00 0.00 57.07 54.15 1x5g s TYR 91 Cb -0.16 -2.01 -0.06 0.00 -0.11 0.00 0.00 41.96 39.61 1x5g s TYR 91 CO 0.13 -0.87 0.08 0.54 -1.11 0.00 0.00 175.55 174.32 1x5g s ASN 92 N 1.14 4.11 0.34 2.29 2.20 -1.22 -2.97 114.94 120.82 1x5g s ASN 92 Ca -0.05 -1.31 0.12 0.00 -0.94 0.00 0.00 52.86 50.69 1x5g s ASN 92 Cb -0.20 -0.29 1.05 0.00 -2.00 0.00 0.00 41.25 39.81 1x5g s ASN 92 CO -0.06 -0.55 1.62 0.07 -2.94 0.00 0.00 177.10 175.24 1x5g h LYS 93 N 1.58 0.14 0.00 3.55 2.10 -1.97 -2.05 116.57 119.92 1x5g h LYS 93 Ca -0.43 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1x5g h LYS 93 Cb 1.25 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 1x5g h LYS 93 CO 0.76 0.10 0.00 0.72 -2.00 0.00 0.00 179.45 179.02 1x5g n HIS 94 N -5.22 0.00 -0.44 0.07 8.25 -1.26 -5.03 115.22 111.58 1x5g n HIS 94 Ca 0.30 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.76 1x5g n HIS 94 Cb 0.99 -0.48 0.00 0.00 1.12 0.00 0.00 29.99 31.62 1x5g n HIS 94 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1x5g n GLY 95 N -0.71 -1.35 3.69 -1.41 0.00 -0.77 -5.08 105.19 99.57 1x5g n GLY 95 Ca 0.00 -1.03 -0.42 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 -1.76 4.27 0.00 1.61 0.04 -1.26 -3.43 135.00 134.47 1x5g s PRO 96 Ca 0.00 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.07 1x5g s PRO 96 Cb 0.00 -3.54 0.00 0.00 0.04 0.00 0.00 34.50 31.00 1x5g s PRO 96 CO 0.00 -0.58 0.00 0.41 0.04 0.00 0.00 177.00 176.87 1x5g n GLY 97 N 3.68 0.96 3.08 0.56 0.00 -0.63 -4.93 105.19 107.91 1x5g n GLY 97 Ca 0.13 -1.97 -0.37 0.00 0.00 0.00 0.00 46.02 43.81 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 -1.16 0.00 -4.32 1.61 0.24 -1.24 -4.64 118.33 108.81 1x5g n VAL 98 Ca 0.00 -0.16 -0.28 0.00 -2.04 0.00 0.00 64.34 61.85 1x5g n VAL 98 Cb 0.00 -0.16 -0.17 0.00 -1.47 0.00 0.00 33.84 32.05 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 -1.23 2.41 0.85 -1.34 0.15 -1.26 -4.27 113.70 109.01 1x5g s SER 99 Ca 0.42 -0.42 -0.13 0.00 0.70 0.00 0.00 55.95 56.52 1x5g s SER 99 Cb -0.01 -1.06 0.04 0.00 -1.71 0.00 0.00 66.02 63.29 1x5g s SER 99 CO 0.69 -0.01 0.75 0.35 1.20 0.00 0.00 173.24 176.22 1x5g n THR 100 N 4.37 1.04 -2.21 6.45 -2.24 -1.18 -4.91 114.28 115.60 1x5g n THR 100 Ca -0.18 -0.23 -0.42 0.00 -2.27 0.00 0.00 64.05 60.95 1x5g n THR 100 Cb 0.51 -0.86 -0.03 0.00 -2.10 0.00 0.00 70.33 67.85 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 -3.66 4.35 0.07 -0.78 0.04 -1.26 -4.72 135.00 129.04 1x5g s PRO 101 Ca 0.65 2.03 -0.33 0.00 0.04 0.00 0.00 61.00 63.39 1x5g s PRO 101 Cb -0.27 -3.25 -0.17 0.00 0.04 0.00 0.00 34.50 30.84 1x5g s PRO 101 CO 0.59 -0.38 0.79 -0.25 0.04 0.00 0.00 177.00 177.79 1x5g n ASP 102 N 3.73 -0.47 -3.83 6.66 8.00 -1.26 -4.83 116.55 124.55 1x5g n ASP 102 Ca 0.10 1.06 -0.29 0.00 0.71 0.00 0.00 54.79 56.38 1x5g n ASP 102 Cb 0.43 -0.86 -0.10 0.00 -0.02 0.00 0.00 41.12 40.56 1x5g n ASP 102 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1x5g n VAL 103 N 0.84 2.00 -2.23 2.53 0.31 0.12 -4.87 118.33 117.03 1x5g n VAL 103 Ca 0.18 -4.99 -0.41 0.00 -0.01 0.00 0.00 64.34 59.11 1x5g n VAL 103 Cb 0.14 -2.19 -0.03 0.00 -0.91 0.00 0.00 33.84 30.85 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 -1.70 3.47 -0.06 3.52 0.00 -1.26 -2.88 121.76 122.85 1x5g s ALA 104 Ca 0.28 1.14 -0.07 0.00 0.00 0.00 0.00 51.96 53.31 1x5g s ALA 104 Cb -0.00 -3.43 0.02 0.00 0.00 0.00 0.00 23.12 19.70 1x5g s ALA 104 CO -0.13 -0.49 0.19 0.54 0.00 0.00 0.00 175.76 175.87 1x5g s VAL 105 N -1.05 0.01 -0.18 0.00 0.11 -0.43 -4.90 120.40 113.97 1x5g s VAL 105 Ca 0.48 -0.12 -0.19 0.00 -2.93 0.00 0.00 61.98 59.22 1x5g s VAL 105 Cb -0.37 -0.31 -0.03 0.00 -1.53 0.00 0.00 36.38 34.13 1x5g s VAL 105 CO 0.48 -0.06 0.55 -0.60 -3.33 0.00 0.00 175.10 172.13 1x5g s ARG 106 N -0.16 4.23 0.60 1.54 3.52 -1.26 -0.88 118.95 126.54 1x5g s ARG 106 Ca -0.03 0.49 -0.16 0.00 -0.13 0.00 0.00 55.73 55.91 1x5g s ARG 106 Cb -0.02 -3.54 -0.03 0.00 -1.56 0.00 0.00 34.95 29.80 1x5g s ARG 106 CO 0.01 -0.11 1.07 0.95 -0.81 0.00 0.00 175.30 176.41 1x5g s THR 107 N 1.49 3.68 0.40 4.11 -4.23 -0.82 -4.67 115.64 115.60 1x5g s THR 107 Ca 0.26 0.81 -0.26 0.00 -1.18 0.00 0.00 61.69 61.32 1x5g s THR 107 Cb -0.16 -3.33 -0.10 0.00 1.34 0.00 0.00 72.50 70.25 1x5g s THR 107 CO 0.10 -0.46 1.30 0.18 -0.54 0.00 0.00 174.62 175.21 1x5g n LEU 108 N -2.04 4.05 -4.75 4.79 4.77 -1.26 -3.09 117.00 119.46 1x5g n LEU 108 Ca 0.09 1.14 -0.38 0.00 -0.03 0.00 0.00 56.01 56.83 1x5g n LEU 108 Cb 0.53 -1.51 -0.06 0.00 -2.33 0.00 0.00 43.42 40.05 1x5g n LEU 108 CO 0.47 -0.53 0.22 -0.94 -1.33 0.00 0.00 177.39 175.29 1x5g s SER 109 N -0.45 6.84 -0.14 -1.43 1.04 -1.26 -2.72 113.70 115.57 1x5g s SER 109 Ca 0.59 1.00 -0.03 0.00 0.48 0.00 0.00 55.95 57.98 1x5g s SER 109 Cb -0.51 -2.32 -0.06 0.00 0.10 0.00 0.00 66.02 63.23 1x5g s SER 109 CO 0.59 0.08 2.80 -0.90 0.98 0.00 0.00 173.24 176.79 1x5g n ASP 110 N 3.06 5.71 -4.35 7.02 5.75 -1.26 -4.83 116.55 127.64 1x5g n ASP 110 Ca -0.08 -2.70 -0.45 0.00 -0.01 0.00 0.00 54.79 51.55 1x5g n ASP 110 Cb 0.51 -1.25 -0.05 0.00 -1.03 0.00 0.00 41.12 39.31 1x5g n ASP 110 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1x5g s SER 111 N 1.38 6.20 0.00 -1.12 0.15 -1.26 -5.01 113.70 114.05 1x5g s SER 111 Ca 0.43 -1.59 0.00 0.00 0.70 0.00 0.00 55.95 55.49 1x5g s SER 111 Cb 0.24 -2.27 0.00 0.00 -1.71 0.00 0.00 66.02 62.28 1x5g s SER 111 CO -0.05 -1.02 0.00 0.61 1.20 0.00 0.00 173.24 173.98 1x5g n GLY 112 N 5.25 3.76 3.74 9.45 0.00 -1.26 -5.08 105.19 121.04 1x5g n GLY 112 Ca -0.10 -1.74 -0.41 0.00 0.00 0.00 0.00 46.02 43.77 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 4.16 4.41 0.00 1.61 0.04 -1.26 -5.04 135.00 138.91 1x5g s PRO 113 Ca 0.00 2.05 -0.03 0.00 0.04 0.00 0.00 61.00 63.06 1x5g s PRO 113 Cb 0.00 -3.18 -0.01 0.00 0.04 0.00 0.00 34.50 31.35 1x5g s PRO 113 CO 0.00 -0.21 0.05 -1.54 0.04 0.00 0.00 177.00 175.34 1x5g s SER 114 N 0.14 0.08 -0.98 6.66 1.04 -1.26 -5.09 113.70 114.29 1x5g s SER 114 Ca 0.55 -0.22 -0.24 0.00 0.48 0.00 0.00 55.95 56.52 1x5g s SER 114 Cb -0.36 0.14 0.04 0.00 0.10 0.00 0.00 66.02 65.94 1x5g s SER 114 CO 0.40 -0.23 1.49 -0.55 0.98 0.00 0.00 173.24 175.33 1x5g s SER 115 N -0.97 6.32 0.00 7.02 0.15 -1.26 -5.33 113.70 119.62 1x5g s SER 115 Ca -0.11 -1.27 0.00 0.00 0.70 0.00 0.00 55.95 55.27 1x5g s SER 115 Cb -0.06 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 1x5g s SER 115 CO 0.00 -1.68 0.00 0.61 1.20 0.00 0.00 173.24 173.38