#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 -0.13 0.30 1.61 0.01 -1.26 -5.19 113.70 109.05 1x5g s SER 2 Ca 0.00 -0.77 -0.12 0.00 1.31 0.00 0.00 55.95 56.37 1x5g s SER 2 Cb 0.00 0.57 0.01 0.00 0.21 0.00 0.00 66.02 66.81 1x5g s SER 2 CO 0.00 -1.09 0.56 -0.44 0.41 0.00 0.00 173.24 172.69 1x5g s SER 3 N -2.96 0.15 0.23 2.44 0.01 -1.26 -5.16 113.70 107.14 1x5g s SER 3 Ca 0.17 -1.07 -0.15 0.00 1.31 0.00 0.00 55.95 56.22 1x5g s SER 3 Cb -0.00 0.67 -0.08 0.00 0.21 0.00 0.00 66.02 66.82 1x5g s SER 3 CO 0.04 -1.31 0.64 -0.83 0.41 0.00 0.00 173.24 172.19 1x5g s GLY 4 N -3.07 2.42 -0.06 3.44 0.00 -1.26 -5.09 107.32 103.71 1x5g s GLY 4 Ca 0.22 -0.05 -0.16 0.00 0.00 0.00 0.00 44.72 44.73 1x5g s GLY 4 CO 0.12 0.20 0.36 -0.45 0.00 0.00 0.00 173.10 173.33 1x5g s SER 5 N -1.99 -0.29 0.22 1.64 0.15 -1.26 -5.17 113.70 106.99 1x5g s SER 5 Ca 0.45 0.34 0.08 0.00 0.70 0.00 0.00 55.95 57.52 1x5g s SER 5 Cb -0.13 0.47 -0.04 0.00 -1.71 0.00 0.00 66.02 64.61 1x5g s SER 5 CO 0.20 -0.37 0.07 -0.94 1.20 0.00 0.00 173.24 173.39 1x5g s SER 6 N -0.87 5.00 0.00 5.45 1.04 -1.26 -5.11 113.70 117.96 1x5g s SER 6 Ca -0.09 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 55.94 1x5g s SER 6 Cb -0.04 -1.12 0.00 0.00 0.10 0.00 0.00 66.02 64.95 1x5g s SER 6 CO 0.04 0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.90 1x5g n GLY 7 N -0.63 3.83 3.14 7.32 0.00 -1.26 -5.16 105.19 112.44 1x5g n GLY 7 Ca -0.08 -0.45 -0.25 0.00 0.00 0.00 0.00 46.02 45.24 1x5g n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1x5g s ARG 8 N 3.07 1.57 0.06 1.61 3.52 -1.26 -5.13 118.95 122.39 1x5g s ARG 8 Ca 0.00 -0.60 -0.20 0.00 -0.13 0.00 0.00 55.73 54.80 1x5g s ARG 8 Cb 0.00 -1.44 -0.06 0.00 -1.56 0.00 0.00 34.95 31.89 1x5g s ARG 8 CO 0.00 0.30 0.59 0.08 -0.81 0.00 0.00 175.30 175.46 1x5g s VAL 9 N -0.17 4.75 -0.17 7.11 1.01 -1.26 -5.03 120.40 126.65 1x5g s VAL 9 Ca 0.01 1.26 -0.29 0.00 0.00 0.00 0.00 61.98 62.96 1x5g s VAL 9 Cb -0.09 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.35 1x5g s VAL 9 CO 0.01 0.52 1.31 -1.61 0.00 0.00 0.00 175.10 175.33 1x5g s GLU 10 N -0.88 4.19 -0.09 2.72 0.41 -1.26 -5.01 118.70 118.77 1x5g s GLU 10 Ca 0.30 1.67 0.00 0.00 -0.41 0.00 0.00 54.97 56.53 1x5g s GLU 10 Cb -0.19 -3.80 -0.03 0.00 -1.78 0.00 0.00 34.13 28.33 1x5g s GLU 10 CO 0.19 -0.77 -0.09 -0.08 -0.49 0.00 0.00 175.26 174.02 1x5g s THR 11 N 3.67 3.49 0.05 3.63 -1.32 -1.26 -5.12 115.64 118.78 1x5g s THR 11 Ca 0.57 -0.54 0.09 0.00 -1.21 0.00 0.00 61.69 60.60 1x5g s THR 11 Cb -0.22 -2.44 -0.03 0.00 -1.51 0.00 0.00 72.50 68.30 1x5g s THR 11 CO 0.17 0.56 -0.25 -1.10 -2.21 0.00 0.00 174.62 171.80 1x5g s GLN 12 N -0.35 1.63 1.06 7.08 -1.52 -1.26 -5.14 119.66 121.15 1x5g s GLN 12 Ca 0.05 -1.08 -0.18 0.00 -1.95 0.00 0.00 55.36 52.20 1x5g s GLN 12 Cb -0.12 -1.81 0.26 0.00 -0.22 0.00 0.00 33.01 31.12 1x5g s GLN 12 CO 0.02 0.46 0.94 -0.35 -0.25 0.00 0.00 175.29 176.12 1x5g n PRO 13 N 1.72 -2.86 -3.74 2.91 -0.04 -1.26 -5.08 135.00 126.65 1x5g n PRO 13 Ca -0.17 -1.51 -0.16 0.00 -0.04 0.00 0.00 63.50 61.62 1x5g n PRO 13 Cb 0.52 -1.41 -0.16 0.00 -0.04 0.00 0.00 33.50 32.41 1x5g n PRO 13 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1x5g s GLU 14 N -5.14 -0.03 -0.05 0.54 -1.05 -1.26 -5.10 118.70 106.61 1x5g s GLU 14 Ca 0.61 0.26 0.02 0.00 -0.15 0.00 0.00 54.97 55.71 1x5g s GLU 14 Cb -0.06 -0.30 0.02 0.00 -0.44 0.00 0.00 34.13 33.35 1x5g s GLU 14 CO 0.47 -0.21 -0.09 0.54 0.95 0.00 0.00 175.26 176.92 1x5g s VAL 15 N 1.37 0.89 -1.28 1.83 0.11 -1.26 -4.82 120.40 117.23 1x5g s VAL 15 Ca -0.06 -0.34 -0.01 0.00 -2.93 0.00 0.00 61.98 58.64 1x5g s VAL 15 Cb -0.13 -0.84 -0.00 0.00 -1.53 0.00 0.00 36.38 33.88 1x5g s VAL 15 CO -0.03 0.30 0.73 0.00 -3.33 0.00 0.00 175.10 172.77 1x5g n GLN 16 N 3.87 -4.75 -4.07 1.54 6.02 -1.26 -4.94 117.38 113.80 1x5g n GLN 16 Ca -0.24 0.64 -0.22 0.00 -0.01 0.00 0.00 57.00 57.17 1x5g n GLN 16 Cb 0.51 -5.20 -0.04 0.00 1.02 0.00 0.00 30.24 26.53 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 -6.59 3.74 0.98 1.08 2.01 -1.26 -4.69 118.68 113.95 1x5g s LEU 17 Ca 0.04 -0.32 -0.12 0.00 0.01 0.00 0.00 54.13 53.74 1x5g s LEU 17 Cb -0.01 -2.29 0.18 0.00 0.01 0.00 0.00 46.19 44.08 1x5g s LEU 17 CO 0.81 -0.10 1.09 -2.16 1.01 0.00 0.00 176.35 177.00 1x5g s PRO 18 N -3.86 0.54 0.60 1.29 0.04 -1.26 -4.36 135.00 127.99 1x5g s PRO 18 Ca 0.34 0.56 -0.00 0.00 0.04 0.00 0.00 61.00 61.94 1x5g s PRO 18 Cb -0.07 -1.75 0.05 0.00 0.04 0.00 0.00 34.50 32.77 1x5g s PRO 18 CO 0.25 -2.67 0.85 0.20 0.04 0.00 0.00 177.00 175.67 1x5g s GLY 19 N -3.45 1.80 0.35 0.56 0.00 -1.26 -3.77 107.32 101.55 1x5g s GLY 19 Ca 0.65 -1.34 -0.27 0.00 0.00 0.00 0.00 44.72 43.76 1x5g s GLY 19 CO 0.57 -0.99 1.21 2.56 0.00 0.00 0.00 173.10 176.46 1x5g s PRO 20 N -4.90 4.30 -0.27 2.90 0.04 -1.26 -4.70 135.00 131.10 1x5g s PRO 20 Ca 0.59 1.98 -0.29 0.00 0.04 0.00 0.00 61.00 63.33 1x5g s PRO 20 Cb -0.10 -2.94 -0.03 0.00 0.04 0.00 0.00 34.50 31.48 1x5g s PRO 20 CO 0.40 -0.16 1.79 0.00 0.04 0.00 0.00 177.00 179.07 1x5g s ALA 21 N -1.25 3.01 1.18 8.56 0.00 -1.26 -4.42 121.76 127.58 1x5g s ALA 21 Ca 0.51 0.41 -0.15 0.00 0.00 0.00 0.00 51.96 52.73 1x5g s ALA 21 Cb -0.35 -3.96 0.22 0.00 0.00 0.00 0.00 23.12 19.03 1x5g s ALA 21 CO 0.45 -2.40 0.80 -0.35 0.00 0.00 0.00 175.76 174.26 1x5g n PRO 22 N 8.20 -2.57 -3.92 0.00 -0.04 -1.22 -4.13 135.00 131.31 1x5g n PRO 22 Ca 0.22 -1.28 -0.27 0.00 -0.04 0.00 0.00 63.50 62.13 1x5g n PRO 22 Cb 0.46 -1.20 -0.05 0.00 -0.04 0.00 0.00 33.50 32.67 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 -4.37 -0.25 -4.53 3.54 5.03 -1.26 -1.57 115.26 111.85 1x5g n ASN 23 Ca 0.11 -0.99 -0.43 0.00 0.87 0.00 0.00 54.58 54.15 1x5g n ASN 23 Cb 0.43 -1.22 -0.04 0.00 -1.02 0.00 0.00 39.78 37.94 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 -6.51 3.91 0.25 3.41 2.96 -1.26 -3.63 118.68 117.81 1x5g s LEU 24 Ca 0.10 -0.28 0.11 0.00 -0.22 0.00 0.00 54.13 53.83 1x5g s LEU 24 Cb -0.05 -2.87 -0.05 0.00 0.50 0.00 0.00 46.19 43.72 1x5g s LEU 24 CO 0.76 -1.34 -0.12 -0.13 -1.32 0.00 0.00 176.35 174.21 1x5g s ARG 25 N 4.31 1.95 -0.27 1.98 1.81 0.95 -5.01 118.95 124.67 1x5g s ARG 25 Ca 0.33 -1.55 -0.14 0.00 -1.72 0.00 0.00 55.73 52.66 1x5g s ARG 25 Cb -0.11 -1.98 0.09 0.00 -0.45 0.00 0.00 34.95 32.50 1x5g s ARG 25 CO 0.20 0.36 0.65 0.00 -0.68 0.00 0.00 175.30 175.83 1x5g s ALA 26 N -2.26 -1.83 0.02 2.13 0.00 -1.26 -1.26 121.76 117.30 1x5g s ALA 26 Ca 0.29 2.30 -0.01 0.00 0.00 0.00 0.00 51.96 54.54 1x5g s ALA 26 Cb -0.06 -1.48 -0.02 0.00 0.00 0.00 0.00 23.12 21.56 1x5g s ALA 26 CO 0.16 -0.53 -0.02 1.52 0.00 0.00 0.00 175.76 176.90 1x5g s TYR 27 N 1.98 0.24 -0.50 0.00 1.13 0.03 -4.98 117.35 115.25 1x5g s TYR 27 Ca -0.09 -0.49 -0.25 0.00 -1.41 0.00 0.00 57.07 54.83 1x5g s TYR 27 Cb -0.07 -0.18 0.03 0.00 -1.10 0.00 0.00 41.96 40.64 1x5g s TYR 27 CO -0.19 -0.20 0.96 0.00 -2.51 0.00 0.00 175.55 173.62 1x5g s ALA 28 N -1.43 3.19 -0.01 9.51 0.00 -1.26 -0.61 121.76 131.15 1x5g s ALA 28 Ca -0.16 -0.91 0.19 0.00 0.00 0.00 0.00 51.96 51.08 1x5g s ALA 28 Cb -0.10 -3.71 0.48 0.00 0.00 0.00 0.00 23.12 19.79 1x5g s ALA 28 CO -0.01 -2.21 1.64 0.00 0.00 0.00 0.00 175.76 175.17 1x5g h ALA 29 N 9.20 0.87 -2.79 0.00 0.00 -1.89 -3.45 119.26 121.19 1x5g h ALA 29 Ca -0.25 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.28 1x5g h ALA 29 Cb 1.07 -0.06 -0.13 0.00 0.00 0.00 0.00 17.79 18.68 1x5g h ALA 29 CO 1.06 0.46 -0.04 -1.12 0.00 0.00 0.00 179.25 179.61 1x5g s SER 30 N -6.36 -0.27 0.00 0.00 0.01 -1.22 -5.00 113.70 100.86 1x5g s SER 30 Ca 0.02 -0.28 0.13 0.00 1.31 0.00 0.00 55.95 57.13 1x5g s SER 30 Cb 0.09 0.49 0.79 0.00 0.21 0.00 0.00 66.02 67.60 1x5g s SER 30 CO 0.69 -0.87 1.21 -0.81 0.41 0.00 0.00 173.24 173.88 1x5g n PRO 31 N -0.24 0.49 0.00 12.44 -0.04 -1.26 -2.07 135.00 144.31 1x5g n PRO 31 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1x5g n PRO 31 Cb 0.64 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.67 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 -0.92 0.06 -4.12 0.52 -2.24 -1.26 -2.95 114.28 103.36 1x5g n THR 32 Ca 0.10 -0.24 -0.12 0.00 -2.27 0.00 0.00 64.05 61.51 1x5g n THR 32 Cb 0.05 1.47 -0.07 0.00 -2.10 0.00 0.00 70.33 69.67 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 -0.06 0.38 -0.18 3.42 1.04 -0.88 -0.09 113.70 117.35 1x5g s SER 33 Ca 0.00 -1.30 -0.09 0.00 0.48 0.00 0.00 55.95 55.04 1x5g s SER 33 Cb 0.00 0.52 0.07 0.00 0.10 0.00 0.00 66.02 66.71 1x5g s SER 33 CO 0.00 -1.05 0.42 -0.63 0.98 0.00 0.00 173.24 172.96 1x5g s ILE 34 N -3.82 -0.16 -0.16 -1.02 1.01 -0.24 -3.44 121.20 113.37 1x5g s ILE 34 Ca 0.32 0.11 -0.11 0.00 0.00 0.00 0.00 60.65 60.97 1x5g s ILE 34 Cb 0.03 -0.63 -0.05 0.00 0.01 0.00 0.00 42.46 41.82 1x5g s ILE 34 CO 0.14 0.04 0.20 -0.89 0.00 0.00 0.00 174.94 174.44 1x5g s THR 35 N 1.68 5.37 -0.08 2.92 2.01 0.22 -1.95 115.64 125.82 1x5g s THR 35 Ca -0.08 0.35 0.02 0.00 0.31 0.00 0.00 61.69 62.29 1x5g s THR 35 Cb -0.09 -3.52 0.01 0.00 0.01 0.00 0.00 72.50 68.91 1x5g s THR 35 CO -0.13 0.47 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.45 1x5g s VAL 36 N -0.02 1.27 -0.07 3.82 1.01 -1.05 -0.79 120.40 124.57 1x5g s VAL 36 Ca 0.13 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.61 1x5g s VAL 36 Cb -0.12 -1.17 0.00 0.00 0.00 0.00 0.00 36.38 35.10 1x5g s VAL 36 CO 0.02 0.39 -0.18 0.42 0.00 0.00 0.00 175.10 175.75 1x5g s THR 37 N 0.79 1.60 0.24 3.92 -4.23 -0.39 -2.60 115.64 114.97 1x5g s THR 37 Ca -0.12 -0.76 0.01 0.00 -1.18 0.00 0.00 61.69 59.64 1x5g s THR 37 Cb -0.16 -1.40 -0.05 0.00 1.34 0.00 0.00 72.50 72.24 1x5g s THR 37 CO 0.02 0.46 0.07 -1.66 -0.54 0.00 0.00 174.62 172.97 1x5g s TRP 38 N 0.36 1.46 0.34 3.99 -2.14 -1.23 -0.03 118.94 121.69 1x5g s TRP 38 Ca -0.13 -1.14 0.09 0.00 2.66 0.00 0.00 56.10 57.58 1x5g s TRP 38 Cb -0.16 -0.85 -0.05 0.00 -3.10 0.00 0.00 33.47 29.31 1x5g s TRP 38 CO 0.05 -0.30 0.06 -1.21 -2.66 0.00 0.00 176.95 172.89 1x5g s GLU 39 N -4.00 2.19 0.03 3.25 0.41 -0.61 -4.80 118.70 115.16 1x5g s GLU 39 Ca 0.34 -1.67 -0.23 0.00 -0.41 0.00 0.00 54.97 53.00 1x5g s GLU 39 Cb 0.07 -2.02 -0.05 0.00 -1.78 0.00 0.00 34.13 30.35 1x5g s GLU 39 CO 0.11 0.13 0.70 0.99 -0.49 0.00 0.00 175.26 176.71 1x5g s THR 40 N -2.48 4.79 -0.30 3.63 2.01 -1.26 -3.39 115.64 118.63 1x5g s THR 40 Ca 0.36 1.49 -0.29 0.00 0.31 0.00 0.00 61.69 63.55 1x5g s THR 40 Cb -0.01 -4.05 -0.02 0.00 0.01 0.00 0.00 72.50 68.44 1x5g s THR 40 CO 0.20 0.39 1.67 -2.16 -0.69 0.00 0.00 174.62 174.03 1x5g s PRO 41 N -0.13 3.54 0.26 4.92 0.04 -1.26 -4.66 135.00 137.70 1x5g s PRO 41 Ca 0.36 1.43 -0.03 0.00 0.04 0.00 0.00 61.00 62.80 1x5g s PRO 41 Cb -0.20 -4.11 0.54 0.00 0.04 0.00 0.00 34.50 30.77 1x5g s PRO 41 CO 0.21 -1.60 1.65 -0.39 0.04 0.00 0.00 177.00 176.91 1x5g h VAL 42 N 6.52 0.37 -4.15 -0.36 -1.51 -1.95 -3.41 116.25 111.76 1x5g h VAL 42 Ca -0.33 -0.06 -0.45 0.00 -1.23 0.00 0.00 66.70 64.63 1x5g h VAL 42 Cb 1.15 0.18 0.14 0.00 -2.13 0.00 0.00 31.29 30.63 1x5g h VAL 42 CO 1.03 0.03 0.32 -0.55 -1.23 0.00 0.00 177.57 177.17 1x5g s SER 43 N -5.17 3.21 0.00 4.19 0.15 -1.26 -5.04 113.70 109.78 1x5g s SER 43 Ca -0.13 0.75 0.00 0.00 0.70 0.00 0.00 55.95 57.27 1x5g s SER 43 Cb 0.23 -1.16 0.00 0.00 -1.71 0.00 0.00 66.02 63.38 1x5g s SER 43 CO 0.76 -2.71 0.00 0.61 1.20 0.00 0.00 173.24 173.10 1x5g n GLY 44 N -2.51 4.30 3.36 9.45 0.00 -1.26 -4.09 105.19 114.43 1x5g n GLY 44 Ca 0.09 -1.51 -0.45 0.00 0.00 0.00 0.00 46.02 44.15 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 7.09 0.00 1.61 2.47 -1.26 -4.95 114.94 119.90 1x5g s ASN 45 Ca 0.00 -3.17 0.00 0.00 0.42 0.00 0.00 52.86 50.11 1x5g s ASN 45 Cb 0.00 -2.24 0.00 0.00 -1.45 0.00 0.00 41.25 37.56 1x5g s ASN 45 CO 0.00 -0.47 0.00 0.61 -3.72 0.00 0.00 177.10 173.52 1x5g n GLY 46 N 3.40 0.21 3.89 1.21 0.00 -1.26 -4.93 105.19 107.71 1x5g n GLY 46 Ca 0.22 -1.80 -0.20 0.00 0.00 0.00 0.00 46.02 44.24 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 2.57 -0.04 1.61 -1.05 -1.26 -5.12 118.70 115.42 1x5g s GLU 47 Ca 0.00 -1.49 -0.06 0.00 -0.15 0.00 0.00 54.97 53.27 1x5g s GLU 47 Cb 0.00 -2.42 -0.04 0.00 -0.44 0.00 0.00 34.13 31.22 1x5g s GLU 47 CO 0.00 -0.19 0.21 0.42 0.95 0.00 0.00 175.26 176.65 1x5g s ILE 48 N -2.45 5.39 -0.16 1.83 -1.09 -1.26 -4.70 121.20 118.76 1x5g s ILE 48 Ca 0.49 0.13 -0.13 0.00 -2.23 0.00 0.00 60.65 58.90 1x5g s ILE 48 Cb -0.04 -3.51 -0.08 0.00 -1.58 0.00 0.00 42.46 37.24 1x5g s ILE 48 CO 0.28 0.45 -0.02 1.56 -1.23 0.00 0.00 174.94 175.98 1x5g h GLN 49 N 4.29 0.00 -3.84 2.79 1.08 -1.54 -3.49 115.11 114.40 1x5g h GLN 49 Ca -0.51 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 56.59 1x5g h GLN 49 Cb 1.21 0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 28.52 1x5g h GLN 49 CO 0.64 0.33 -0.27 0.54 -0.95 0.00 0.00 178.83 179.12 1x5g s ASN 50 N -6.07 -0.01 -0.16 1.46 4.22 -1.07 -5.06 114.94 108.26 1x5g s ASN 50 Ca -0.18 -0.90 -0.01 0.00 -2.14 0.00 0.00 52.86 49.63 1x5g s ASN 50 Cb 0.03 0.48 -0.01 0.00 1.28 0.00 0.00 41.25 43.03 1x5g s ASN 50 CO 0.33 -0.96 -0.11 -0.31 -2.04 0.00 0.00 177.10 174.00 1x5g s TYR 51 N -3.99 2.85 -0.19 1.54 2.02 -1.24 -2.58 117.35 115.76 1x5g s TYR 51 Ca 0.20 -0.85 -0.10 0.00 -0.37 0.00 0.00 57.07 55.95 1x5g s TYR 51 Cb 0.02 -1.93 -0.05 0.00 -0.40 0.00 0.00 41.96 39.60 1x5g s TYR 51 CO 0.03 -0.39 0.14 0.21 -1.57 0.00 0.00 175.55 173.97 1x5g s LYS 52 N 0.81 4.08 -0.16 -0.62 2.47 -0.57 -3.13 119.74 122.62 1x5g s LYS 52 Ca -0.04 -0.20 0.00 0.00 -1.56 0.00 0.00 55.97 54.17 1x5g s LYS 52 Cb -0.15 -3.39 0.03 0.00 -1.46 0.00 0.00 37.83 32.87 1x5g s LYS 52 CO 0.01 0.37 -0.09 -1.17 0.16 0.00 0.00 175.35 174.63 1x5g s LEU 53 N 0.16 1.74 0.21 5.43 2.96 -1.20 -0.73 118.68 127.24 1x5g s LEU 53 Ca 0.09 -0.63 0.03 0.00 -0.22 0.00 0.00 54.13 53.41 1x5g s LEU 53 Cb -0.11 -1.04 -0.03 0.00 0.50 0.00 0.00 46.19 45.50 1x5g s LEU 53 CO -0.01 -0.14 0.35 -0.31 -1.32 0.00 0.00 176.35 174.93 1x5g s TYR 54 N 1.55 3.47 -0.21 5.38 1.51 -0.14 -1.71 117.35 127.21 1x5g s TYR 54 Ca 0.02 0.10 -0.18 0.00 -1.01 0.00 0.00 57.07 56.00 1x5g s TYR 54 Cb -0.15 -1.66 0.06 0.00 -0.11 0.00 0.00 41.96 40.10 1x5g s TYR 54 CO -0.09 0.43 0.56 1.52 -1.11 0.00 0.00 175.55 176.86 1x5g s TYR 55 N -1.91 -0.67 0.15 2.71 1.13 -1.21 -2.88 117.35 114.68 1x5g s TYR 55 Ca 0.35 1.55 -0.18 0.00 -1.41 0.00 0.00 57.07 57.38 1x5g s TYR 55 Cb -0.10 0.27 0.04 0.00 -1.10 0.00 0.00 41.96 41.07 1x5g s TYR 55 CO 0.29 -0.33 0.48 0.00 -2.51 0.00 0.00 175.55 173.49 1x5g s MET 56 N 0.60 1.21 -0.07 -3.49 0.23 -1.00 -2.63 119.30 114.15 1x5g s MET 56 Ca -0.02 -0.71 -0.23 0.00 -1.03 0.00 0.00 55.69 53.70 1x5g s MET 56 Cb -0.05 0.51 -0.04 0.00 -1.53 0.00 0.00 34.83 33.73 1x5g s MET 56 CO -0.03 -0.50 0.69 -2.00 -2.03 0.00 0.00 175.02 171.14 1x5g s GLU 57 N -3.81 4.43 -0.82 3.16 2.12 -1.26 0.21 118.70 122.73 1x5g s GLU 57 Ca 0.04 0.85 -0.22 0.00 0.36 0.00 0.00 54.97 56.01 1x5g s GLU 57 Cb 0.00 -3.45 -0.19 0.00 0.26 0.00 0.00 34.13 30.76 1x5g s GLU 57 CO -0.09 0.06 2.37 1.17 -0.54 0.00 0.00 175.26 178.23 1x5g n LYS 58 N 3.80 0.44 0.00 4.30 3.00 -1.19 -2.00 118.16 126.51 1x5g n LYS 58 Ca -0.02 -0.48 0.00 0.00 -0.00 0.00 0.00 58.31 57.81 1x5g n LYS 58 Cb 0.51 -2.86 0.00 0.00 0.00 0.00 0.00 35.03 32.69 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 6.36 0.86 0.00 3.14 0.00 -1.26 -4.97 105.19 109.31 1x5g n GLY 59 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.54 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 -1.73 2.61 -1.04 -0.85 -5.03 114.28 108.24 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 -0.49 -0.02 0.00 -1.82 0.00 0.00 70.33 68.00 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 -1.82 -3.50 -3.53 8.00 2.03 -1.26 -5.00 116.55 111.47 1x5g n ASP 61 Ca 0.00 0.10 -0.07 0.00 0.52 0.00 0.00 54.79 55.34 1x5g n ASP 61 Cb 0.33 -2.30 -0.08 0.00 -0.72 0.00 0.00 41.12 38.35 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 -3.62 0.38 0.24 -0.67 2.47 -1.26 -5.16 119.74 112.11 1x5g s LYS 62 Ca 0.00 0.93 0.08 0.00 -1.56 0.00 0.00 55.97 55.43 1x5g s LYS 62 Cb 0.00 0.18 -0.04 0.00 -1.46 0.00 0.00 37.83 36.51 1x5g s LYS 62 CO 0.00 -0.39 0.05 -1.83 0.16 0.00 0.00 175.35 173.34 1x5g s GLU 63 N 2.64 2.49 0.41 4.03 1.03 -1.26 -4.65 118.70 123.39 1x5g s GLU 63 Ca 0.04 -1.25 0.02 0.00 0.03 0.00 0.00 54.97 53.81 1x5g s GLU 63 Cb -0.13 -2.31 0.02 0.00 -0.80 0.00 0.00 34.13 30.91 1x5g s GLU 63 CO -0.15 0.39 0.18 1.04 -1.33 0.00 0.00 175.26 175.40 1x5g n GLN 64 N -0.82 0.94 -3.89 -4.83 1.13 -1.08 -4.94 117.38 103.90 1x5g n GLN 64 Ca -0.07 -2.75 -0.17 0.00 -1.94 0.00 0.00 57.00 52.07 1x5g n GLN 64 Cb 0.58 0.49 -0.16 0.00 0.11 0.00 0.00 30.24 31.25 1x5g n GLN 64 CO 0.00 0.00 0.00 0.16 -1.44 0.00 0.00 177.06 175.78 1x5g s ASP 65 N -3.36 0.34 -0.13 1.08 -4.77 -1.26 -3.29 116.67 105.29 1x5g s ASP 65 Ca 0.14 -0.01 0.02 0.00 -3.30 0.00 0.00 52.55 49.40 1x5g s ASP 65 Cb -0.01 -0.18 0.01 0.00 -1.09 0.00 0.00 42.92 41.65 1x5g s ASP 65 CO 0.09 -0.11 -0.20 0.68 0.70 0.00 0.00 175.17 176.33 1x5g s VAL 66 N 1.04 1.89 -0.18 2.11 -7.23 -0.69 -4.99 120.40 112.35 1x5g s VAL 66 Ca -0.09 -0.88 -0.29 0.00 -1.81 0.00 0.00 61.98 58.90 1x5g s VAL 66 Cb -0.13 -1.68 -0.02 0.00 0.56 0.00 0.00 36.38 35.10 1x5g s VAL 66 CO -0.02 0.52 1.42 1.51 -0.31 0.00 0.00 175.10 178.22 1x5g s ASP 67 N 0.84 6.72 0.19 4.85 1.47 -1.26 -3.26 116.67 126.23 1x5g s ASP 67 Ca -0.08 1.70 0.10 0.00 1.18 0.00 0.00 52.55 55.46 1x5g s ASP 67 Cb -0.15 -2.54 -0.04 0.00 -0.34 0.00 0.00 42.92 39.85 1x5g s ASP 67 CO -0.01 -0.95 -0.20 -0.69 0.68 0.00 0.00 175.17 174.00 1x5g s VAL 68 N 4.11 2.06 -0.08 2.11 1.01 -1.18 -5.05 120.40 123.38 1x5g s VAL 68 Ca 0.62 -2.05 0.02 0.00 0.00 0.00 0.00 61.98 60.57 1x5g s VAL 68 Cb -0.24 -2.01 -0.06 0.00 0.00 0.00 0.00 36.38 34.07 1x5g s VAL 68 CO 0.22 -0.30 -0.05 -1.54 0.00 0.00 0.00 175.10 173.43 1x5g n SER 69 N 0.08 3.36 -4.92 3.32 3.41 -1.26 -3.72 113.62 113.88 1x5g n SER 69 Ca -0.11 -0.03 -0.26 0.00 -0.26 0.00 0.00 58.87 58.20 1x5g n SER 69 Cb 0.58 0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.62 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 -4.53 6.10 0.29 4.04 0.01 -1.26 -4.90 113.70 113.45 1x5g s SER 70 Ca -0.09 0.77 0.05 0.00 1.31 0.00 0.00 55.95 57.99 1x5g s SER 70 Cb 0.03 -2.05 0.46 0.00 0.21 0.00 0.00 66.02 64.66 1x5g s SER 70 CO 0.21 -0.65 1.72 0.45 0.41 0.00 0.00 173.24 175.39 1x5g h HIS 71 N 0.23 0.38 -3.34 2.43 3.86 -1.96 -3.42 115.15 113.33 1x5g h HIS 71 Ca -0.47 -0.09 -0.65 0.00 -1.16 0.00 0.00 60.37 58.00 1x5g h HIS 71 Cb 1.22 -0.09 -0.26 0.00 1.06 0.00 0.00 27.41 29.35 1x5g h HIS 71 CO 0.54 0.63 -0.72 -1.54 0.86 0.00 0.00 177.93 177.70 1x5g s SER 72 N -6.86 4.32 0.26 2.45 1.04 -1.26 -3.58 113.70 110.07 1x5g s SER 72 Ca -0.05 -0.29 0.08 0.00 0.48 0.00 0.00 55.95 56.16 1x5g s SER 72 Cb 0.14 -1.70 -0.05 0.00 0.10 0.00 0.00 66.02 64.50 1x5g s SER 72 CO 0.78 0.11 -0.10 -0.47 0.98 0.00 0.00 173.24 174.54 1x5g s TYR 73 N 0.71 1.93 -0.14 5.02 5.04 -1.07 -5.01 117.35 123.82 1x5g s TYR 73 Ca -0.04 -0.62 0.00 0.00 -2.44 0.00 0.00 57.07 53.97 1x5g s TYR 73 Cb -0.15 -1.02 0.02 0.00 0.35 0.00 0.00 41.96 41.17 1x5g s TYR 73 CO 0.02 0.36 -0.12 0.99 -1.34 0.00 0.00 175.55 175.45 1x5g s THR 74 N -2.94 1.41 -0.38 4.34 2.01 -1.26 -2.52 115.64 116.30 1x5g s THR 74 Ca 0.28 -0.53 -0.12 0.00 0.31 0.00 0.00 61.69 61.62 1x5g s THR 74 Cb 0.02 -1.35 0.02 0.00 0.01 0.00 0.00 72.50 71.19 1x5g s THR 74 CO 0.11 0.43 0.24 -0.63 -0.69 0.00 0.00 174.62 174.08 1x5g s ILE 75 N 1.54 4.90 0.19 1.82 1.01 -0.82 -4.95 121.20 124.88 1x5g s ILE 75 Ca 0.05 -0.68 0.05 0.00 0.00 0.00 0.00 60.65 60.07 1x5g s ILE 75 Cb -0.13 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 1x5g s ILE 75 CO -0.10 -0.21 0.19 0.54 0.00 0.00 0.00 174.94 175.36 1x5g s ASN 76 N 1.62 5.72 0.00 3.58 2.20 -1.26 -1.08 114.94 125.72 1x5g s ASN 76 Ca 0.04 -0.09 0.00 0.00 -0.94 0.00 0.00 52.86 51.87 1x5g s ASN 76 Cb -0.19 -1.55 0.00 0.00 -2.00 0.00 0.00 41.25 37.52 1x5g s ASN 76 CO 0.08 0.03 0.00 0.61 -2.94 0.00 0.00 177.10 174.89 1x5g n GLY 77 N -0.64 0.74 3.61 0.45 0.00 0.88 -4.96 105.19 105.27 1x5g n GLY 77 Ca -0.08 -0.08 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.21 2.80 0.76 0.99 1.43 0.40 -5.02 118.68 119.84 1x5g s LEU 78 Ca 0.00 -1.38 -0.11 0.00 -1.03 0.00 0.00 54.13 51.61 1x5g s LEU 78 Cb 0.00 -0.85 0.06 0.00 0.03 0.00 0.00 46.19 45.43 1x5g s LEU 78 CO 0.00 -0.48 1.13 -0.54 0.23 0.00 0.00 176.35 176.69 1x5g s LYS 79 N -3.73 2.25 0.16 1.70 1.02 -1.26 -4.34 119.74 115.54 1x5g s LYS 79 Ca 0.34 0.14 -0.10 0.00 0.02 0.00 0.00 55.97 56.37 1x5g s LYS 79 Cb 0.10 -2.01 -0.07 0.00 -0.52 0.00 0.00 37.83 35.33 1x5g s LYS 79 CO 0.17 -1.38 0.49 0.15 -0.92 0.00 0.00 175.35 173.87 1x5g s LYS 80 N -5.46 3.82 -1.42 1.68 3.01 -1.15 -4.33 119.74 115.89 1x5g s LYS 80 Ca 0.60 0.27 -0.08 0.00 -1.01 0.00 0.00 55.97 55.76 1x5g s LYS 80 Cb -0.11 -2.84 0.01 0.00 -1.01 0.00 0.00 37.83 33.87 1x5g s LYS 80 CO 0.49 0.45 0.31 0.98 0.51 0.00 0.00 175.35 178.08 1x5g n TYR 81 N 0.43 -1.45 -4.27 3.18 9.36 0.64 -4.94 117.16 120.12 1x5g n TYR 81 Ca -0.04 0.55 -0.20 0.00 3.32 0.00 0.00 57.90 61.53 1x5g n TYR 81 Cb 0.52 -3.15 -0.16 0.00 -0.63 0.00 0.00 39.34 35.93 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 -4.04 0.64 0.58 2.97 2.01 -1.26 -4.84 115.64 111.70 1x5g s THR 82 Ca 0.12 -0.24 -0.18 0.00 0.31 0.00 0.00 61.69 61.71 1x5g s THR 82 Cb -0.06 -0.61 -0.04 0.00 0.01 0.00 0.00 72.50 71.80 1x5g s THR 82 CO 0.95 0.23 1.13 -0.70 -0.69 0.00 0.00 174.62 175.54 1x5g s GLU 83 N 0.53 3.14 -0.18 4.92 2.12 -1.26 -2.44 118.70 125.52 1x5g s GLU 83 Ca -0.08 1.57 -0.09 0.00 0.36 0.00 0.00 54.97 56.73 1x5g s GLU 83 Cb -0.11 -1.98 0.07 0.00 0.26 0.00 0.00 34.13 32.36 1x5g s GLU 83 CO 0.01 -1.01 0.43 0.71 -0.54 0.00 0.00 175.26 174.85 1x5g s TYR 84 N -1.93 -0.67 0.41 5.30 2.02 0.13 -3.16 117.35 119.45 1x5g s TYR 84 Ca 0.71 1.39 -0.16 0.00 -0.37 0.00 0.00 57.07 58.65 1x5g s TYR 84 Cb -0.24 0.30 -0.09 0.00 -0.40 0.00 0.00 41.96 41.54 1x5g s TYR 84 CO 0.32 -0.38 0.85 0.45 -1.57 0.00 0.00 175.55 175.22 1x5g s SER 85 N 1.61 6.72 -0.09 2.29 0.15 0.13 -0.81 113.70 123.70 1x5g s SER 85 Ca -0.08 1.41 -0.07 0.00 0.70 0.00 0.00 55.95 57.91 1x5g s SER 85 Cb -0.09 -2.43 0.03 0.00 -1.71 0.00 0.00 66.02 61.82 1x5g s SER 85 CO -0.13 -0.38 0.23 -0.36 1.20 0.00 0.00 173.24 173.80 1x5g s PHE 86 N -2.27 -0.28 -0.11 3.44 0.08 -1.15 -2.39 117.98 115.31 1x5g s PHE 86 Ca 0.56 0.68 -0.07 0.00 0.12 0.00 0.00 56.93 58.22 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 0.23 -0.16 0.26 -0.98 -0.10 0.00 0.00 175.22 174.47 1x5g s ARG 87 N 0.57 0.25 -0.02 0.44 1.70 -1.14 -0.81 118.95 119.95 1x5g s ARG 87 Ca -0.04 0.49 0.00 0.00 -0.47 0.00 0.00 55.73 55.72 1x5g s ARG 87 Cb -0.05 -0.02 -0.04 0.00 -0.57 0.00 0.00 34.95 34.28 1x5g s ARG 87 CO -0.03 -0.12 0.01 0.08 -1.08 0.00 0.00 175.30 174.16 1x5g s VAL 88 N 0.87 4.27 -0.02 4.99 1.01 -1.26 -0.96 120.40 129.30 1x5g s VAL 88 Ca -0.06 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.46 1x5g s VAL 88 Cb -0.07 -2.88 -0.00 0.00 0.00 0.00 0.00 36.38 33.42 1x5g s VAL 88 CO -0.06 0.43 -0.09 -0.69 0.00 0.00 0.00 175.10 174.69 1x5g s VAL 89 N -1.05 0.75 -0.17 2.92 1.01 0.09 -2.81 120.40 121.14 1x5g s VAL 89 Ca 0.18 -0.37 -0.20 0.00 0.00 0.00 0.00 61.98 61.59 1x5g s VAL 89 Cb -0.12 -0.65 -0.03 0.00 0.00 0.00 0.00 36.38 35.58 1x5g s VAL 89 CO 0.09 0.23 0.60 0.00 0.00 0.00 0.00 175.10 176.01 1x5g s ALA 90 N 0.02 3.51 -0.21 5.51 0.00 -1.26 -1.52 121.76 127.81 1x5g s ALA 90 Ca -0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 51.96 51.70 1x5g s ALA 90 Cb -0.06 -2.90 -0.01 0.00 0.00 0.00 0.00 23.12 20.15 1x5g s ALA 90 CO 0.00 -0.40 -0.07 0.71 0.00 0.00 0.00 175.76 176.01 1x5g s TYR 91 N 1.53 2.93 0.36 0.00 1.51 -1.06 -0.47 117.35 122.15 1x5g s TYR 91 Ca 0.29 -0.98 0.08 0.00 -1.01 0.00 0.00 57.07 55.44 1x5g s TYR 91 Cb -0.16 -2.07 -0.07 0.00 -0.11 0.00 0.00 41.96 39.56 1x5g s TYR 91 CO 0.11 -0.55 -0.04 -0.80 -1.11 0.00 0.00 175.55 173.17 1x5g s ASN 92 N 1.36 3.57 0.48 2.29 -0.87 -1.06 -1.26 114.94 119.45 1x5g s ASN 92 Ca 0.04 -1.28 0.34 0.00 -1.57 0.00 0.00 52.86 50.39 1x5g s ASN 92 Cb -0.14 -0.33 1.47 0.00 -0.02 0.00 0.00 41.25 42.23 1x5g s ASN 92 CO -0.04 -0.35 1.68 0.07 -2.57 0.00 0.00 177.10 175.89 1x5g h LYS 93 N 1.96 0.09 0.27 -0.60 2.10 -1.96 -0.05 116.57 118.38 1x5g h LYS 93 Ca -0.42 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.21 1x5g h LYS 93 Cb 1.24 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 1x5g h LYS 93 CO 0.74 0.06 -0.13 0.45 -2.00 0.00 0.00 179.45 178.57 1x5g h HIS 94 N 0.10 -0.34 0.00 0.07 -0.00 -1.94 -3.50 115.15 109.53 1x5g h HIS 94 Ca 0.75 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 61.12 1x5g h HIS 94 Cb 2.60 0.11 0.00 0.00 -0.00 0.00 0.00 27.41 30.12 1x5g h HIS 94 CO -0.00 -0.06 0.00 0.41 -0.00 0.00 0.00 177.93 178.27 1x5g n GLY 95 N 0.62 -1.87 3.71 2.45 0.00 -0.03 -5.13 105.19 104.93 1x5g n GLY 95 Ca -0.07 -1.14 -0.42 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 -1.76 4.32 0.00 1.61 0.04 -1.26 -2.57 135.00 135.38 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 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 31.19 1x5g s PRO 96 CO 0.00 -0.47 0.00 0.41 0.04 0.00 0.00 177.00 176.98 1x5g n GLY 97 N 3.53 0.78 1.72 0.56 0.00 0.38 -4.94 105.19 107.21 1x5g n GLY 97 Ca 0.12 -1.69 -0.13 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 0.00 0.00 -3.51 1.61 0.24 -1.25 -4.75 118.33 110.67 1x5g n VAL 98 Ca 0.00 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.08 1x5g n VAL 98 Cb 0.00 -0.43 -0.14 0.00 -1.47 0.00 0.00 33.84 31.80 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 -2.26 1.99 0.74 -1.34 0.15 -1.26 -4.27 113.70 107.45 1x5g s SER 99 Ca 0.29 -0.56 -0.17 0.00 0.70 0.00 0.00 55.95 56.20 1x5g s SER 99 Cb -0.05 0.14 -0.14 0.00 -1.71 0.00 0.00 66.02 64.26 1x5g s SER 99 CO 0.24 -0.36 -0.37 0.35 1.20 0.00 0.00 173.24 174.31 1x5g n THR 100 N 5.30 0.12 -2.21 6.45 -2.24 -1.12 -4.83 114.28 115.74 1x5g n THR 100 Ca -0.05 -0.49 -0.42 0.00 -2.27 0.00 0.00 64.05 60.82 1x5g n THR 100 Cb 0.48 -0.06 -0.03 0.00 -2.10 0.00 0.00 70.33 68.62 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 -1.58 4.34 0.12 -0.78 0.04 -1.26 -4.68 135.00 131.20 1x5g s PRO 101 Ca 0.50 2.03 -0.22 0.00 0.04 0.00 0.00 61.00 63.35 1x5g s PRO 101 Cb -0.35 -3.25 -0.13 0.00 0.04 0.00 0.00 34.50 30.81 1x5g s PRO 101 CO 0.73 -0.39 0.46 -0.25 0.04 0.00 0.00 177.00 177.58 1x5g n ASP 102 N 3.79 -0.74 -3.69 6.66 9.92 -1.26 -4.87 116.55 126.36 1x5g n ASP 102 Ca 0.11 0.83 -0.27 0.00 -0.53 0.00 0.00 54.79 54.92 1x5g n ASP 102 Cb 0.43 -0.69 -0.11 0.00 -0.64 0.00 0.00 41.12 40.11 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 0.21 1.07 -2.12 2.53 0.31 0.01 -4.88 118.33 115.46 1x5g n VAL 103 Ca 0.13 -4.59 -0.41 0.00 -0.01 0.00 0.00 64.34 59.46 1x5g n VAL 103 Cb 0.16 -2.06 -0.03 0.00 -0.91 0.00 0.00 33.84 31.01 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 -1.31 3.55 -0.06 3.52 0.00 -1.26 -2.92 121.76 123.28 1x5g s ALA 104 Ca 0.29 1.23 -0.05 0.00 0.00 0.00 0.00 51.96 53.43 1x5g s ALA 104 Cb 0.02 -3.51 0.02 0.00 0.00 0.00 0.00 23.12 19.65 1x5g s ALA 104 CO -0.15 -0.63 0.16 0.54 0.00 0.00 0.00 175.76 175.68 1x5g s VAL 105 N -0.29 -0.01 -0.12 0.00 0.11 0.01 -4.89 120.40 115.20 1x5g s VAL 105 Ca 0.55 0.04 -0.18 0.00 -2.93 0.00 0.00 61.98 59.46 1x5g s VAL 105 Cb -0.39 -0.24 -0.04 0.00 -1.53 0.00 0.00 36.38 34.17 1x5g s VAL 105 CO 0.44 0.02 0.46 -0.60 -3.33 0.00 0.00 175.10 172.08 1x5g s ARG 106 N 0.33 4.33 0.83 1.54 3.52 -1.26 -0.69 118.95 127.54 1x5g s ARG 106 Ca -0.02 0.41 -0.14 0.00 -0.13 0.00 0.00 55.73 55.85 1x5g s ARG 106 Cb -0.03 -3.44 0.20 0.00 -1.56 0.00 0.00 34.95 30.12 1x5g s ARG 106 CO -0.01 0.16 0.88 0.25 -0.81 0.00 0.00 175.30 175.77 1x5g n THR 107 N 3.68 0.00 -2.64 4.11 -2.24 -1.02 -4.65 114.28 111.51 1x5g n THR 107 Ca -0.07 -0.51 -0.25 0.00 -2.27 0.00 0.00 64.05 60.95 1x5g n THR 107 Cb 0.52 -1.37 0.02 0.00 -2.10 0.00 0.00 70.33 67.40 1x5g n THR 107 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1x5g s LEU 108 N 0.00 3.42 -0.25 3.22 1.43 -1.26 -3.99 118.68 121.25 1x5g s LEU 108 Ca 0.54 0.56 -0.06 0.00 -1.03 0.00 0.00 54.13 54.14 1x5g s LEU 108 Cb -0.04 -3.41 -0.01 0.00 0.03 0.00 0.00 46.19 42.76 1x5g s LEU 108 CO 0.40 -0.89 0.02 -0.55 0.23 0.00 0.00 176.35 175.55 1x5g s SER 109 N -4.26 4.74 -0.96 2.29 0.15 -1.26 -0.26 113.70 114.15 1x5g s SER 109 Ca 0.51 -0.40 -0.16 0.00 0.70 0.00 0.00 55.95 56.60 1x5g s SER 109 Cb -0.10 -1.83 0.17 0.00 -1.71 0.00 0.00 66.02 62.55 1x5g s SER 109 CO 0.42 -0.06 1.08 -0.62 1.20 0.00 0.00 173.24 175.26 1x5g s ASP 110 N 1.52 6.78 -0.42 5.45 -1.08 -1.26 -4.88 116.67 122.78 1x5g s ASP 110 Ca 0.05 -2.45 -0.02 0.00 -0.52 0.00 0.00 52.55 49.61 1x5g s ASP 110 Cb -0.15 -2.34 0.22 0.00 -1.46 0.00 0.00 42.92 39.19 1x5g s ASP 110 CO 0.00 -0.84 2.21 -1.54 0.52 0.00 0.00 175.17 175.52 1x5g n SER 111 N 5.50 6.70 0.00 -0.34 3.41 -1.26 -4.96 113.62 122.66 1x5g n SER 111 Ca 0.23 -3.24 0.00 0.00 -0.26 0.00 0.00 58.87 55.61 1x5g n SER 111 Cb 0.47 -1.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.33 1x5g n SER 111 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5g n GLY 112 N 0.26 0.94 0.25 5.00 0.00 -1.26 -4.74 105.19 105.64 1x5g n GLY 112 Ca 0.40 -2.25 0.13 0.00 0.00 0.00 0.00 46.02 44.30 1x5g n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5g h PRO 113 N 0.00 0.00 -5.01 1.61 0.13 -2.02 -3.45 132.00 123.27 1x5g h PRO 113 Ca 0.00 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.77 1x5g h PRO 113 Cb 0.00 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 30.99 1x5g h PRO 113 CO 0.00 0.13 -0.65 -1.54 -0.23 0.00 0.00 178.00 175.71 1x5g s SER 114 N -6.00 1.64 -0.22 1.44 1.04 -1.26 -5.17 113.70 105.17 1x5g s SER 114 Ca 0.00 -1.24 -0.20 0.00 0.48 0.00 0.00 55.95 54.99 1x5g s SER 114 Cb 0.10 0.05 0.06 0.00 0.10 0.00 0.00 66.02 66.33 1x5g s SER 114 CO 0.59 -0.56 0.59 -0.55 0.98 0.00 0.00 173.24 174.29 1x5g s SER 115 N -3.29 -0.62 0.00 7.02 0.15 -1.26 -4.83 113.70 110.87 1x5g s SER 115 Ca 0.29 1.19 0.00 0.00 0.70 0.00 0.00 55.95 58.13 1x5g s SER 115 Cb 0.06 1.20 0.00 0.00 -1.71 0.00 0.00 66.02 65.57 1x5g s SER 115 CO 0.09 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.93