#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 2.66 -3.74 1.61 3.41 -1.26 -4.87 113.62 111.43 1x5g n SER 2 Ca 0.00 0.19 -0.03 0.00 -0.26 0.00 0.00 58.87 58.77 1x5g n SER 2 Cb 0.00 -1.44 -0.01 0.00 -0.26 0.00 0.00 64.21 62.50 1x5g n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1x5g s SER 3 N 8.46 -0.17 -0.29 4.04 0.15 -1.26 -5.08 113.70 119.55 1x5g s SER 3 Ca 1.05 -0.42 0.19 0.00 0.70 0.00 0.00 55.95 57.47 1x5g s SER 3 Cb -0.53 0.49 0.47 0.00 -1.71 0.00 0.00 66.02 64.74 1x5g s SER 3 CO 0.39 -0.90 1.26 0.61 1.20 0.00 0.00 173.24 175.80 1x5g n GLY 4 N -0.48 1.86 2.38 9.45 0.00 -1.26 -5.09 105.19 112.05 1x5g n GLY 4 Ca -0.06 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 1x5g n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x5g n SER 5 N -0.92 0.50 -4.16 1.61 7.64 -1.26 -4.87 113.62 112.15 1x5g n SER 5 Ca -0.02 0.45 -0.11 0.00 1.01 0.00 0.00 58.87 60.20 1x5g n SER 5 Cb 0.83 -0.65 -0.10 0.00 -1.01 0.00 0.00 64.21 63.28 1x5g n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x5g s SER 6 N 4.64 0.18 -1.66 6.43 0.01 -1.26 -4.89 113.70 117.15 1x5g s SER 6 Ca 0.89 -1.29 -0.10 0.00 1.31 0.00 0.00 55.95 56.75 1x5g s SER 6 Cb -1.06 0.37 0.10 0.00 0.21 0.00 0.00 66.02 65.63 1x5g s SER 6 CO 0.46 -0.82 0.36 0.61 0.41 0.00 0.00 173.24 174.26 1x5g n GLY 7 N -0.22 -0.27 3.41 3.44 0.00 -1.26 -4.87 105.19 105.42 1x5g n GLY 7 Ca -0.01 0.13 -0.44 0.00 0.00 0.00 0.00 46.02 45.70 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 -7.16 3.07 -0.23 1.61 6.06 -1.26 -5.00 118.95 116.04 1x5g s ARG 8 Ca 0.38 -1.14 -0.04 0.00 -2.50 0.00 0.00 55.73 52.43 1x5g s ARG 8 Cb -0.21 -4.17 0.08 0.00 0.06 0.00 0.00 34.95 30.70 1x5g s ARG 8 CO 0.98 -1.32 0.09 0.08 -2.50 0.00 0.00 175.30 172.63 1x5g s VAL 9 N 2.50 0.13 -0.40 7.11 1.01 -1.26 -5.09 120.40 124.40 1x5g s VAL 9 Ca 0.12 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.56 1x5g s VAL 9 Cb -0.22 -0.91 0.11 0.00 0.00 0.00 0.00 36.38 35.36 1x5g s VAL 9 CO 0.09 -0.46 0.15 -1.61 0.00 0.00 0.00 175.10 173.27 1x5g s GLU 10 N 2.02 1.46 -0.24 2.72 0.41 -1.26 -5.09 118.70 118.72 1x5g s GLU 10 Ca 0.05 -1.98 -0.10 0.00 -0.41 0.00 0.00 54.97 52.53 1x5g s GLU 10 Cb -0.16 -2.88 -0.05 0.00 -1.78 0.00 0.00 34.13 29.26 1x5g s GLU 10 CO -0.20 -1.04 0.13 0.99 -0.49 0.00 0.00 175.26 174.66 1x5g s THR 11 N 0.58 5.09 0.79 3.63 2.01 -1.26 -5.09 115.64 121.40 1x5g s THR 11 Ca 0.14 0.09 -0.11 0.00 0.31 0.00 0.00 61.69 62.12 1x5g s THR 11 Cb -0.22 -3.37 0.07 0.00 0.01 0.00 0.00 72.50 68.99 1x5g s THR 11 CO -0.07 0.35 1.10 -1.10 -0.69 0.00 0.00 174.62 174.21 1x5g s GLN 12 N 1.12 2.05 1.17 4.92 1.11 -1.26 -5.03 119.66 123.74 1x5g s GLN 12 Ca 0.06 1.26 -0.18 0.00 0.01 0.00 0.00 55.36 56.51 1x5g s GLN 12 Cb -0.14 -1.87 0.27 0.00 -1.01 0.00 0.00 33.01 30.26 1x5g s GLN 12 CO 0.05 -1.81 1.11 -1.25 0.01 0.00 0.00 175.29 173.39 1x5g s PRO 13 N -4.81 -0.94 -0.31 2.91 0.04 -1.26 -5.04 135.00 125.59 1x5g s PRO 13 Ca 0.63 0.04 0.03 0.00 0.04 0.00 0.00 61.00 61.73 1x5g s PRO 13 Cb -0.18 -1.62 0.09 0.00 0.04 0.00 0.00 34.50 32.83 1x5g s PRO 13 CO 0.56 -3.54 0.03 -1.21 0.04 0.00 0.00 177.00 172.87 1x5g s GLU 14 N -5.32 1.44 0.09 4.56 2.02 -1.26 -5.08 118.70 115.16 1x5g s GLU 14 Ca 0.70 -1.56 -0.26 0.00 0.02 0.00 0.00 54.97 53.87 1x5g s GLU 14 Cb -0.11 -2.87 0.08 0.00 0.10 0.00 0.00 34.13 31.33 1x5g s GLU 14 CO 0.56 -0.86 0.90 0.54 0.02 0.00 0.00 175.26 176.42 1x5g s VAL 15 N 1.12 0.00 -0.60 2.63 0.11 -1.26 -5.09 120.40 117.31 1x5g s VAL 15 Ca 0.06 -0.35 -0.32 0.00 -2.93 0.00 0.00 61.98 58.44 1x5g s VAL 15 Cb -0.19 -1.51 -0.14 0.00 -1.53 0.00 0.00 36.38 33.02 1x5g s VAL 15 CO -0.11 0.00 2.40 0.00 -3.33 0.00 0.00 175.10 174.07 1x5g n GLN 16 N -0.37 0.66 -4.35 1.54 3.00 -1.26 -4.90 117.38 111.70 1x5g n GLN 16 Ca -0.08 0.10 -0.18 0.00 -0.01 0.00 0.00 57.00 56.83 1x5g n GLN 16 Cb 0.61 -2.36 -0.10 0.00 0.00 0.00 0.00 30.24 28.39 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 9.05 2.45 1.22 1.08 1.02 -1.26 -4.60 118.68 127.63 1x5g s LEU 17 Ca 1.15 -1.11 -0.20 0.00 0.02 0.00 0.00 54.13 53.99 1x5g s LEU 17 Cb -0.85 -0.51 0.29 0.00 0.02 0.00 0.00 46.19 45.15 1x5g s LEU 17 CO 0.44 -0.33 1.11 -2.16 0.02 0.00 0.00 176.35 175.44 1x5g s PRO 18 N -3.74 -1.37 0.42 1.29 0.04 -1.26 -4.13 135.00 126.25 1x5g s PRO 18 Ca 0.25 -0.12 0.07 0.00 0.04 0.00 0.00 61.00 61.24 1x5g s PRO 18 Cb 0.03 -1.58 -0.04 0.00 0.04 0.00 0.00 34.50 32.94 1x5g s PRO 18 CO 0.07 -3.80 0.23 0.20 0.04 0.00 0.00 177.00 173.75 1x5g s GLY 19 N -3.94 2.30 -0.13 0.56 0.00 -1.14 -4.05 107.32 100.92 1x5g s GLY 19 Ca 0.71 -2.03 -0.29 0.00 0.00 0.00 0.00 44.72 43.11 1x5g s GLY 19 CO 0.56 -1.86 1.55 2.56 0.00 0.00 0.00 173.10 175.90 1x5g s PRO 20 N -3.97 4.08 -0.47 2.90 0.04 -1.26 -4.69 135.00 131.64 1x5g s PRO 20 Ca 0.42 1.90 -0.36 0.00 0.04 0.00 0.00 61.00 63.01 1x5g s PRO 20 Cb 0.02 -3.95 -0.14 0.00 0.04 0.00 0.00 34.50 30.47 1x5g s PRO 20 CO 0.24 -0.95 2.25 0.00 0.04 0.00 0.00 177.00 178.58 1x5g n ALA 21 N 7.40 0.76 -1.06 8.56 0.00 -1.26 -4.62 120.51 130.29 1x5g n ALA 21 Ca 0.17 -0.08 -0.18 0.00 0.00 0.00 0.00 53.44 53.35 1x5g n ALA 21 Cb 0.44 -2.44 0.23 0.00 0.00 0.00 0.00 19.45 17.68 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 8.11 -2.99 -4.42 0.00 -0.04 -1.20 -4.03 135.00 130.44 1x5g n PRO 22 Ca 0.47 -1.62 -0.37 0.00 -0.04 0.00 0.00 63.50 61.94 1x5g n PRO 22 Cb 0.16 -1.51 -0.08 0.00 -0.04 0.00 0.00 33.50 32.03 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 -4.73 -0.83 -4.57 3.54 5.03 -1.26 -1.09 115.26 111.35 1x5g n ASN 23 Ca 0.14 -1.23 -0.41 0.00 0.87 0.00 0.00 54.58 53.94 1x5g n ASN 23 Cb 0.54 -1.74 -0.03 0.00 -1.02 0.00 0.00 39.78 37.54 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 -7.29 3.35 0.25 3.41 2.96 -1.26 -3.83 118.68 116.28 1x5g s LEU 24 Ca 0.48 0.11 0.08 0.00 -0.22 0.00 0.00 54.13 54.58 1x5g s LEU 24 Cb -0.28 -2.93 -0.04 0.00 0.50 0.00 0.00 46.19 43.44 1x5g s LEU 24 CO 1.01 -1.75 0.14 -0.13 -1.32 0.00 0.00 176.35 174.30 1x5g s ARG 25 N 5.59 2.76 -0.22 1.98 1.81 0.13 -5.00 118.95 126.00 1x5g s ARG 25 Ca 0.49 -1.15 -0.11 0.00 -1.72 0.00 0.00 55.73 53.24 1x5g s ARG 25 Cb -0.10 -2.46 0.08 0.00 -0.45 0.00 0.00 34.95 32.02 1x5g s ARG 25 CO 0.23 0.39 0.52 0.00 -0.68 0.00 0.00 175.30 175.76 1x5g s ALA 26 N -2.18 -1.44 -0.01 2.13 0.00 -1.26 -2.02 121.76 116.98 1x5g s ALA 26 Ca 0.32 1.89 -0.09 0.00 0.00 0.00 0.00 51.96 54.09 1x5g s ALA 26 Cb -0.07 -1.26 0.01 0.00 0.00 0.00 0.00 23.12 21.79 1x5g s ALA 26 CO 0.24 -0.48 0.18 1.52 0.00 0.00 0.00 175.76 177.22 1x5g s TYR 27 N 1.89 -0.03 -0.40 0.00 1.13 -0.59 -5.01 117.35 114.34 1x5g s TYR 27 Ca -0.08 0.01 -0.24 0.00 -1.41 0.00 0.00 57.07 55.35 1x5g s TYR 27 Cb -0.09 -0.01 0.02 0.00 -1.10 0.00 0.00 41.96 40.78 1x5g s TYR 27 CO -0.16 -0.29 0.85 0.00 -2.51 0.00 0.00 175.55 173.44 1x5g s ALA 28 N -1.21 3.36 -0.83 9.51 0.00 -1.26 -1.30 121.76 130.03 1x5g s ALA 28 Ca -0.13 -0.70 0.27 0.00 0.00 0.00 0.00 51.96 51.40 1x5g s ALA 28 Cb -0.07 -3.48 0.84 0.00 0.00 0.00 0.00 23.12 20.41 1x5g s ALA 28 CO 0.02 -1.71 1.71 0.00 0.00 0.00 0.00 175.76 175.78 1x5g n ALA 29 N 6.72 2.53 -3.55 0.00 0.00 -1.26 -4.77 120.51 120.18 1x5g n ALA 29 Ca 0.04 -0.12 -0.08 0.00 0.00 0.00 0.00 53.44 53.29 1x5g n ALA 29 Cb 0.48 -1.38 -0.03 0.00 0.00 0.00 0.00 19.45 18.52 1x5g n ALA 29 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1x5g s SER 30 N -3.85 -0.31 0.00 0.00 0.15 -1.24 -4.98 113.70 103.48 1x5g s SER 30 Ca 0.11 0.13 0.08 0.00 0.70 0.00 0.00 55.95 56.97 1x5g s SER 30 Cb 0.15 0.30 0.46 0.00 -1.71 0.00 0.00 66.02 65.22 1x5g s SER 30 CO 0.61 -0.44 0.91 -0.81 1.20 0.00 0.00 173.24 174.71 1x5g n PRO 31 N 0.12 0.49 0.00 5.44 -0.04 -1.26 -2.04 135.00 137.71 1x5g n PRO 31 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1x5g n PRO 31 Cb 0.60 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.81 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 -0.74 0.00 -4.27 0.52 -2.24 -1.26 -3.52 114.28 102.76 1x5g n THR 32 Ca 0.06 -0.29 -0.18 0.00 -2.27 0.00 0.00 64.05 61.37 1x5g n THR 32 Cb 0.03 0.95 -0.09 0.00 -2.10 0.00 0.00 70.33 69.12 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 -0.68 1.39 -0.22 3.42 1.04 -0.86 0.83 113.70 118.62 1x5g s SER 33 Ca 0.00 -1.68 -0.06 0.00 0.48 0.00 0.00 55.95 54.70 1x5g s SER 33 Cb 0.00 0.51 0.11 0.00 0.10 0.00 0.00 66.02 66.74 1x5g s SER 33 CO 0.00 -1.01 0.43 -0.63 0.98 0.00 0.00 173.24 173.01 1x5g s ILE 34 N -3.59 -0.67 -0.01 -1.02 1.01 -0.28 -3.59 121.20 113.04 1x5g s ILE 34 Ca 0.40 0.09 -0.22 0.00 0.00 0.00 0.00 60.65 60.92 1x5g s ILE 34 Cb 0.03 -0.74 -0.05 0.00 0.01 0.00 0.00 42.46 41.72 1x5g s ILE 34 CO 0.24 0.01 0.63 -0.89 0.00 0.00 0.00 174.94 174.93 1x5g s THR 35 N 2.62 4.91 -0.05 2.92 2.01 -0.42 -2.18 115.64 125.46 1x5g s THR 35 Ca 0.03 1.33 0.03 0.00 0.31 0.00 0.00 61.69 63.38 1x5g s THR 35 Cb -0.13 -3.97 0.01 0.00 0.01 0.00 0.00 72.50 68.41 1x5g s THR 35 CO -0.14 0.38 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.36 1x5g s VAL 36 N 0.00 1.10 -0.05 3.82 1.01 -0.68 -1.55 120.40 124.06 1x5g s VAL 36 Ca 0.33 -0.49 0.04 0.00 0.00 0.00 0.00 61.98 61.86 1x5g s VAL 36 Cb -0.18 -0.99 -0.00 0.00 0.00 0.00 0.00 36.38 35.20 1x5g s VAL 36 CO 0.18 0.34 -0.18 0.42 0.00 0.00 0.00 175.10 175.86 1x5g s THR 37 N 0.42 1.48 0.18 3.92 -4.23 -0.86 -1.92 115.64 114.63 1x5g s THR 37 Ca -0.09 -0.74 0.02 0.00 -1.18 0.00 0.00 61.69 59.69 1x5g s THR 37 Cb -0.13 -1.27 -0.05 0.00 1.34 0.00 0.00 72.50 72.39 1x5g s THR 37 CO 0.03 0.42 -0.00 -1.66 -0.54 0.00 0.00 174.62 172.87 1x5g s TRP 38 N 0.04 1.23 0.34 3.99 -2.14 -1.24 0.20 118.94 121.37 1x5g s TRP 38 Ca -0.04 -1.01 0.08 0.00 2.66 0.00 0.00 56.10 57.79 1x5g s TRP 38 Cb -0.12 -0.70 -0.04 0.00 -3.10 0.00 0.00 33.47 29.51 1x5g s TRP 38 CO 0.02 -0.19 0.15 -1.21 -2.66 0.00 0.00 176.95 173.06 1x5g s GLU 39 N -3.91 2.40 -0.05 3.25 2.02 -0.25 -4.77 118.70 117.39 1x5g s GLU 39 Ca 0.24 -1.53 -0.24 0.00 0.02 0.00 0.00 54.97 53.46 1x5g s GLU 39 Cb 0.06 -2.20 -0.04 0.00 0.10 0.00 0.00 34.13 32.06 1x5g s GLU 39 CO 0.04 0.11 0.72 0.99 0.02 0.00 0.00 175.26 177.15 1x5g s THR 40 N -2.42 5.00 -0.34 3.63 2.01 -1.26 -3.26 115.64 119.00 1x5g s THR 40 Ca 0.38 1.50 -0.29 0.00 0.31 0.00 0.00 61.69 63.59 1x5g s THR 40 Cb -0.03 -4.06 -0.01 0.00 0.01 0.00 0.00 72.50 68.41 1x5g s THR 40 CO 0.23 0.26 1.70 -2.16 -0.69 0.00 0.00 174.62 173.96 1x5g s PRO 41 N 0.70 3.43 0.25 4.92 0.04 -1.26 -4.66 135.00 138.40 1x5g s PRO 41 Ca 0.38 1.33 -0.06 0.00 0.04 0.00 0.00 61.00 62.70 1x5g s PRO 41 Cb -0.18 -4.15 0.46 0.00 0.04 0.00 0.00 34.50 30.67 1x5g s PRO 41 CO 0.19 -1.75 1.66 -0.39 0.04 0.00 0.00 177.00 176.76 1x5g h VAL 42 N 6.69 0.43 -1.78 -0.36 -1.51 -1.94 -3.29 116.25 114.49 1x5g h VAL 42 Ca -0.32 -0.06 -0.61 0.00 -1.23 0.00 0.00 66.70 64.47 1x5g h VAL 42 Cb 1.15 0.23 -0.12 0.00 -2.13 0.00 0.00 31.29 30.42 1x5g h VAL 42 CO 1.04 0.03 1.18 -0.55 -1.23 0.00 0.00 177.57 178.04 1x5g s SER 43 N -5.21 6.43 -0.23 4.19 0.15 -1.26 -4.93 113.70 112.85 1x5g s SER 43 Ca -0.13 -1.36 -0.11 0.00 0.70 0.00 0.00 55.95 55.05 1x5g s SER 43 Cb 0.22 -2.51 0.08 0.00 -1.71 0.00 0.00 66.02 62.09 1x5g s SER 43 CO 0.75 -1.46 0.53 -0.83 1.20 0.00 0.00 173.24 173.44 1x5g s GLY 44 N 4.33 -0.48 -0.01 9.45 0.00 -1.24 -2.87 107.32 116.50 1x5g s GLY 44 Ca 0.39 1.93 -0.30 0.00 0.00 0.00 0.00 44.72 46.73 1x5g s GLY 44 CO -0.03 2.17 1.28 -1.31 0.00 0.00 0.00 173.10 175.21 1x5g s ASN 45 N 1.79 6.97 0.49 1.64 -0.87 -1.26 -4.79 114.94 118.92 1x5g s ASN 45 Ca -0.08 1.99 0.00 0.00 -1.57 0.00 0.00 52.86 53.19 1x5g s ASN 45 Cb -0.08 -2.56 0.00 0.00 -0.02 0.00 0.00 41.25 38.59 1x5g s ASN 45 CO -0.16 -0.62 0.00 0.61 -2.57 0.00 0.00 177.10 174.36 1x5g n GLY 46 N 3.45 -3.39 3.74 0.66 0.00 -1.26 -4.72 105.19 103.67 1x5g n GLY 46 Ca 0.11 -1.08 -0.41 0.00 0.00 0.00 0.00 46.02 44.64 1x5g n GLY 46 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x5g s GLU 47 N -4.31 4.49 0.18 1.61 0.41 -1.26 -4.96 118.70 114.85 1x5g s GLU 47 Ca 0.00 1.89 -0.32 0.00 -0.41 0.00 0.00 54.97 56.13 1x5g s GLU 47 Cb 0.00 -3.23 -0.12 0.00 -1.78 0.00 0.00 34.13 29.00 1x5g s GLU 47 CO 0.00 -0.09 1.75 -0.89 -0.49 0.00 0.00 175.26 175.54 1x5g n ILE 48 N 2.44 0.11 -0.06 -1.63 2.08 -1.26 -4.73 119.36 116.31 1x5g n ILE 48 Ca 0.04 -0.02 -0.14 0.00 0.56 0.00 0.00 62.75 63.19 1x5g n ILE 48 Cb 0.45 -1.99 -0.12 0.00 -0.75 0.00 0.00 39.64 37.22 1x5g n ILE 48 CO 0.00 0.00 0.00 1.56 0.56 0.00 0.00 176.55 178.67 1x5g h GLN 49 N 7.25 0.00 -3.54 0.38 1.08 -1.68 -3.49 115.11 115.12 1x5g h GLN 49 Ca -0.44 -0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 56.70 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 0.95 0.91 -0.14 0.54 -0.95 0.00 0.00 178.83 180.14 1x5g s ASN 50 N -6.13 -0.13 -0.04 1.46 4.22 -1.09 -5.07 114.94 108.16 1x5g s ASN 50 Ca -0.18 -0.54 0.05 0.00 -2.14 0.00 0.00 52.86 50.05 1x5g s ASN 50 Cb -0.02 0.48 -0.02 0.00 1.28 0.00 0.00 41.25 42.96 1x5g s ASN 50 CO 0.69 -0.90 -0.19 -0.31 -2.04 0.00 0.00 177.10 174.35 1x5g s TYR 51 N -3.87 2.56 -0.25 1.54 2.02 -1.22 -2.46 117.35 115.68 1x5g s TYR 51 Ca 0.08 -0.33 -0.01 0.00 -0.37 0.00 0.00 57.07 56.45 1x5g s TYR 51 Cb 0.02 -1.59 0.03 0.00 -0.40 0.00 0.00 41.96 40.02 1x5g s TYR 51 CO -0.07 0.06 -0.07 0.21 -1.57 0.00 0.00 175.55 174.11 1x5g s LYS 52 N -0.58 2.71 -0.17 -0.62 2.20 -0.61 -2.27 119.74 120.39 1x5g s LYS 52 Ca 0.08 -1.05 -0.07 0.00 -0.36 0.00 0.00 55.97 54.57 1x5g s LYS 52 Cb -0.11 -2.96 -0.04 0.00 -1.51 0.00 0.00 37.83 33.21 1x5g s LYS 52 CO 0.01 -0.44 0.07 -1.17 -0.36 0.00 0.00 175.35 173.46 1x5g s LEU 53 N 1.28 3.90 0.27 5.43 2.96 -0.96 -0.81 118.68 130.76 1x5g s LEU 53 Ca -0.01 0.14 0.07 0.00 -0.22 0.00 0.00 54.13 54.10 1x5g s LEU 53 Cb -0.17 -1.98 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 1x5g s LEU 53 CO -0.05 0.21 0.25 -0.31 -1.32 0.00 0.00 176.35 175.13 1x5g s TYR 54 N 0.17 3.10 -0.28 5.38 1.51 -0.38 -0.47 117.35 126.39 1x5g s TYR 54 Ca 0.05 -0.15 -0.19 0.00 -1.01 0.00 0.00 57.07 55.77 1x5g s TYR 54 Cb -0.12 -1.54 0.09 0.00 -0.11 0.00 0.00 41.96 40.28 1x5g s TYR 54 CO 0.00 0.41 0.76 1.52 -1.11 0.00 0.00 175.55 177.14 1x5g s TYR 55 N -2.16 -0.89 0.13 2.71 1.13 -1.20 -3.42 117.35 113.66 1x5g s TYR 55 Ca 0.35 1.87 -0.16 0.00 -1.41 0.00 0.00 57.07 57.72 1x5g s TYR 55 Cb -0.08 0.49 0.04 0.00 -1.10 0.00 0.00 41.96 41.31 1x5g s TYR 55 CO 0.26 -0.44 0.42 0.00 -2.51 0.00 0.00 175.55 173.28 1x5g s MET 56 N 1.19 1.11 0.11 -3.49 0.23 -1.03 -2.76 119.30 114.66 1x5g s MET 56 Ca -0.06 -0.71 -0.24 0.00 -1.03 0.00 0.00 55.69 53.64 1x5g s MET 56 Cb -0.05 0.48 -0.07 0.00 -1.53 0.00 0.00 34.83 33.66 1x5g s MET 56 CO -0.13 -0.44 0.73 -2.00 -2.03 0.00 0.00 175.02 171.15 1x5g s GLU 57 N -3.81 4.48 -0.41 3.16 2.12 -1.26 0.01 118.70 122.99 1x5g s GLU 57 Ca 0.04 1.05 -0.27 0.00 0.36 0.00 0.00 54.97 56.15 1x5g s GLU 57 Cb 0.01 -3.29 -0.06 0.00 0.26 0.00 0.00 34.13 31.06 1x5g s GLU 57 CO -0.11 0.50 2.31 0.21 -0.54 0.00 0.00 175.26 177.63 1x5g s LYS 58 N -0.81 2.45 0.00 4.30 2.47 -0.96 -2.60 119.74 124.59 1x5g s LYS 58 Ca 0.35 1.55 0.00 0.00 -1.56 0.00 0.00 55.97 56.31 1x5g s LYS 58 Cb -0.22 -4.50 0.00 0.00 -1.46 0.00 0.00 37.83 31.65 1x5g s LYS 58 CO 0.24 -2.88 0.00 0.41 0.16 0.00 0.00 175.35 173.28 1x5g n GLY 59 N 5.91 0.87 0.00 5.54 0.00 -1.26 -4.97 105.19 111.28 1x5g n GLY 59 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 -2.01 2.61 -1.04 -1.07 -5.04 114.28 107.73 1x5g n THR 60 Ca 0.00 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.95 1x5g n THR 60 Cb 0.00 -0.36 -0.01 0.00 -1.82 0.00 0.00 70.33 68.14 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 -2.00 -2.67 -3.30 8.00 -0.08 -1.26 -5.01 116.55 110.22 1x5g n ASP 61 Ca 0.00 0.01 -0.04 0.00 -1.51 0.00 0.00 54.79 53.25 1x5g n ASP 61 Cb 0.31 -1.86 -0.06 0.00 2.34 0.00 0.00 41.12 41.85 1x5g n ASP 61 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 1x5g s LYS 62 N -4.11 0.43 0.20 -0.67 2.47 -1.26 -5.16 119.74 111.63 1x5g s LYS 62 Ca 0.00 0.73 0.07 0.00 -1.56 0.00 0.00 55.97 55.21 1x5g s LYS 62 Cb 0.00 -0.08 -0.04 0.00 -1.46 0.00 0.00 37.83 36.25 1x5g s LYS 62 CO 0.00 -0.61 0.08 -1.83 0.16 0.00 0.00 175.35 173.15 1x5g s GLU 63 N 2.66 2.64 0.31 4.03 1.03 -1.26 -4.64 118.70 123.47 1x5g s GLU 63 Ca 0.15 -1.06 0.01 0.00 0.03 0.00 0.00 54.97 54.10 1x5g s GLU 63 Cb -0.15 -2.46 0.01 0.00 -0.80 0.00 0.00 34.13 30.73 1x5g s GLU 63 CO -0.17 0.44 0.11 1.04 -1.33 0.00 0.00 175.26 175.35 1x5g n GLN 64 N -0.48 1.15 -3.86 -4.83 6.02 -1.11 -4.95 117.38 109.32 1x5g n GLN 64 Ca -0.08 -2.11 -0.12 0.00 -0.01 0.00 0.00 57.00 54.68 1x5g n GLN 64 Cb 0.56 0.41 -0.14 0.00 1.02 0.00 0.00 30.24 32.09 1x5g n GLN 64 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 1x5g s ASP 65 N -2.76 -0.01 -0.04 1.08 1.47 -1.26 -3.25 116.67 111.89 1x5g s ASP 65 Ca 0.09 0.03 0.04 0.00 1.18 0.00 0.00 52.55 53.89 1x5g s ASP 65 Cb -0.01 0.03 0.00 0.00 -0.34 0.00 0.00 42.92 42.60 1x5g s ASP 65 CO 0.05 -0.01 -0.14 0.68 0.68 0.00 0.00 175.17 176.43 1x5g s VAL 66 N 0.08 1.23 -0.63 2.11 -7.23 0.38 -4.97 120.40 111.37 1x5g s VAL 66 Ca -0.01 -0.60 -0.27 0.00 -1.81 0.00 0.00 61.98 59.30 1x5g s VAL 66 Cb -0.01 -1.07 0.02 0.00 0.56 0.00 0.00 36.38 35.88 1x5g s VAL 66 CO -0.00 0.36 1.42 -0.62 -0.31 0.00 0.00 175.10 175.95 1x5g s ASP 67 N 0.16 6.03 0.06 4.85 2.15 -1.26 -2.26 116.67 126.40 1x5g s ASP 67 Ca -0.05 0.03 0.02 0.00 0.43 0.00 0.00 52.55 52.98 1x5g s ASP 67 Cb -0.11 -2.55 -0.04 0.00 -0.30 0.00 0.00 42.92 39.92 1x5g s ASP 67 CO 0.02 -1.84 0.10 -0.69 -0.17 0.00 0.00 175.17 172.59 1x5g s VAL 68 N 6.33 4.68 -0.07 1.11 1.01 -0.96 -5.02 120.40 127.48 1x5g s VAL 68 Ca 0.48 -0.66 0.05 0.00 0.00 0.00 0.00 61.98 61.85 1x5g s VAL 68 Cb -0.10 -3.24 -0.08 0.00 0.00 0.00 0.00 36.38 32.96 1x5g s VAL 68 CO 0.21 0.16 0.01 -1.54 0.00 0.00 0.00 175.10 173.94 1x5g n SER 69 N 0.55 3.34 -4.92 3.32 3.41 -1.26 -3.41 113.62 114.65 1x5g n SER 69 Ca -0.09 -0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.22 1x5g n SER 69 Cb 0.52 0.59 -0.04 0.00 -0.26 0.00 0.00 64.21 65.02 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 -3.92 6.31 0.23 4.04 0.01 -1.26 -4.94 113.70 114.16 1x5g s SER 70 Ca -0.04 0.23 -0.06 0.00 1.31 0.00 0.00 55.95 57.39 1x5g s SER 70 Cb 0.02 -1.92 0.36 0.00 0.21 0.00 0.00 66.02 64.69 1x5g s SER 70 CO 0.27 0.15 1.79 0.45 0.41 0.00 0.00 173.24 176.31 1x5g h HIS 71 N 2.91 0.72 -3.11 2.43 -0.00 -1.95 -3.40 115.15 112.75 1x5g h HIS 71 Ca -0.46 0.03 -0.62 0.00 -0.00 0.00 0.00 60.37 59.32 1x5g h HIS 71 Cb 1.17 -0.21 -0.11 0.00 -0.00 0.00 0.00 27.41 28.26 1x5g h HIS 71 CO 0.60 0.28 -0.47 -1.54 -0.00 0.00 0.00 177.93 176.79 1x5g s SER 72 N -5.54 6.28 0.01 2.45 1.04 -1.26 -3.61 113.70 113.06 1x5g s SER 72 Ca -0.12 0.32 0.02 0.00 0.48 0.00 0.00 55.95 56.64 1x5g s SER 72 Cb 0.18 -2.09 -0.01 0.00 0.10 0.00 0.00 66.02 64.20 1x5g s SER 72 CO 0.77 0.23 -0.06 -0.47 0.98 0.00 0.00 173.24 174.69 1x5g s TYR 73 N 0.00 0.53 -0.34 5.02 5.04 -0.81 -5.01 117.35 121.79 1x5g s TYR 73 Ca 0.11 -0.20 -0.06 0.00 -2.44 0.00 0.00 57.07 54.48 1x5g s TYR 73 Cb -0.11 -0.33 0.04 0.00 0.35 0.00 0.00 41.96 41.90 1x5g s TYR 73 CO 0.00 -0.03 0.10 0.99 -1.34 0.00 0.00 175.55 175.27 1x5g s THR 74 N -0.45 3.71 -0.44 4.34 2.01 -1.26 -1.69 115.64 121.86 1x5g s THR 74 Ca -0.01 -1.16 -0.24 0.00 0.31 0.00 0.00 61.69 60.59 1x5g s THR 74 Cb -0.04 -3.11 0.02 0.00 0.01 0.00 0.00 72.50 69.38 1x5g s THR 74 CO -0.00 -0.18 0.83 -0.63 -0.69 0.00 0.00 174.62 173.95 1x5g s ILE 75 N 1.39 4.61 0.46 1.82 1.01 -0.92 -4.92 121.20 124.65 1x5g s ILE 75 Ca -0.02 0.62 0.05 0.00 0.00 0.00 0.00 60.65 61.30 1x5g s ILE 75 Cb -0.20 -4.33 0.02 0.00 0.01 0.00 0.00 42.46 37.96 1x5g s ILE 75 CO 0.02 -0.69 0.64 0.20 0.00 0.00 0.00 174.94 175.11 1x5g s ASN 76 N 2.11 5.57 -0.25 3.58 0.02 -1.26 -1.13 114.94 123.58 1x5g s ASN 76 Ca 0.32 -0.17 -0.01 0.00 -1.02 0.00 0.00 52.86 51.98 1x5g s ASN 76 Cb -0.12 -0.89 -0.01 0.00 0.02 0.00 0.00 41.25 40.25 1x5g s ASN 76 CO 0.23 -0.86 0.22 0.61 0.02 0.00 0.00 177.10 177.32 1x5g n GLY 77 N -2.03 0.17 3.48 0.66 0.00 -0.90 -4.94 105.19 101.62 1x5g n GLY 77 Ca 0.06 -0.05 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.35 2.08 0.60 0.99 1.43 0.24 -5.00 118.68 115.68 1x5g s LEU 78 Ca 0.09 -1.49 -0.08 0.00 -1.03 0.00 0.00 54.13 51.61 1x5g s LEU 78 Cb -0.01 -0.27 -0.01 0.00 0.03 0.00 0.00 46.19 45.93 1x5g s LEU 78 CO 0.19 -0.74 0.96 -0.54 0.23 0.00 0.00 176.35 176.45 1x5g s LYS 79 N -3.84 3.20 0.08 1.70 -0.14 -1.26 -4.59 119.74 114.89 1x5g s LYS 79 Ca 0.31 0.34 -0.17 0.00 -1.36 0.00 0.00 55.97 55.09 1x5g s LYS 79 Cb 0.06 -2.18 -0.07 0.00 -1.68 0.00 0.00 37.83 33.97 1x5g s LYS 79 CO 0.15 -0.65 0.53 0.15 -0.76 0.00 0.00 175.35 174.77 1x5g s LYS 80 N -5.08 4.08 -1.52 1.68 1.02 -1.23 -4.19 119.74 114.50 1x5g s LYS 80 Ca 0.54 0.60 -0.08 0.00 0.02 0.00 0.00 55.97 57.06 1x5g s LYS 80 Cb -0.11 -3.14 0.06 0.00 -0.52 0.00 0.00 37.83 34.12 1x5g s LYS 80 CO 0.49 0.60 0.57 0.98 -0.92 0.00 0.00 175.35 177.07 1x5g n TYR 81 N 1.45 -1.71 -4.49 3.18 9.36 -1.15 -4.96 117.16 118.85 1x5g n TYR 81 Ca -0.09 0.77 -0.23 0.00 3.32 0.00 0.00 57.90 61.67 1x5g n TYR 81 Cb 0.51 -3.45 -0.16 0.00 -0.63 0.00 0.00 39.34 35.61 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 -3.69 0.96 0.46 2.97 2.01 -1.26 -4.87 115.64 112.22 1x5g s THR 82 Ca 0.31 -0.41 -0.21 0.00 0.31 0.00 0.00 61.69 61.68 1x5g s THR 82 Cb -0.17 -0.88 -0.09 0.00 0.01 0.00 0.00 72.50 71.38 1x5g s THR 82 CO 0.90 0.31 1.05 -0.70 -0.69 0.00 0.00 174.62 175.49 1x5g s GLU 83 N 0.49 3.89 -0.09 4.92 2.12 -1.26 -2.83 118.70 125.94 1x5g s GLU 83 Ca -0.10 1.42 -0.06 0.00 0.36 0.00 0.00 54.97 56.60 1x5g s GLU 83 Cb -0.13 -2.22 0.03 0.00 0.26 0.00 0.00 34.13 32.07 1x5g s GLU 83 CO 0.02 -0.37 0.21 0.71 -0.54 0.00 0.00 175.26 175.30 1x5g s TYR 84 N -1.87 -0.26 0.39 5.30 2.02 0.12 -2.28 117.35 120.77 1x5g s TYR 84 Ca 0.65 0.63 -0.15 0.00 -0.37 0.00 0.00 57.07 57.82 1x5g s TYR 84 Cb -0.18 0.05 -0.09 0.00 -0.40 0.00 0.00 41.96 41.34 1x5g s TYR 84 CO 0.23 -0.16 0.82 0.45 -1.57 0.00 0.00 175.55 175.31 1x5g s SER 85 N 0.64 6.73 -0.08 2.29 0.15 0.10 -1.05 113.70 122.47 1x5g s SER 85 Ca -0.04 1.36 -0.08 0.00 0.70 0.00 0.00 55.95 57.89 1x5g s SER 85 Cb -0.06 -2.41 0.02 0.00 -1.71 0.00 0.00 66.02 61.87 1x5g s SER 85 CO -0.04 -0.33 0.22 -0.36 1.20 0.00 0.00 173.24 173.94 1x5g s PHE 86 N -2.20 -0.25 -0.15 3.44 0.08 -1.10 -2.46 117.98 115.34 1x5g s PHE 86 Ca 0.56 0.60 -0.12 0.00 0.12 0.00 0.00 56.93 58.09 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 0.22 -0.12 0.40 -0.98 -0.10 0.00 0.00 175.22 174.63 1x5g s ARG 87 N 0.18 0.44 -0.13 0.44 1.70 -1.22 -0.28 118.95 120.08 1x5g s ARG 87 Ca -0.01 0.62 -0.06 0.00 -0.47 0.00 0.00 55.73 55.82 1x5g s ARG 87 Cb -0.02 0.14 -0.04 0.00 -0.57 0.00 0.00 34.95 34.46 1x5g s ARG 87 CO -0.00 -0.09 0.08 0.08 -1.08 0.00 0.00 175.30 174.29 1x5g s VAL 88 N 0.60 4.97 -0.05 4.99 1.01 -1.26 -1.24 120.40 129.41 1x5g s VAL 88 Ca -0.03 0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.01 1x5g s VAL 88 Cb -0.05 -3.17 -0.00 0.00 0.00 0.00 0.00 36.38 33.16 1x5g s VAL 88 CO -0.04 0.57 -0.19 -0.69 0.00 0.00 0.00 175.10 174.76 1x5g s VAL 89 N -0.62 1.56 0.06 2.92 1.01 0.01 -2.99 120.40 122.35 1x5g s VAL 89 Ca 0.12 -0.78 -0.19 0.00 0.00 0.00 0.00 61.98 61.13 1x5g s VAL 89 Cb -0.12 -1.34 -0.06 0.00 0.00 0.00 0.00 36.38 34.86 1x5g s VAL 89 CO 0.02 0.45 0.55 0.00 0.00 0.00 0.00 175.10 176.12 1x5g s ALA 90 N 0.08 3.60 -0.20 5.51 0.00 -1.26 -1.58 121.76 127.90 1x5g s ALA 90 Ca -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 51.96 51.90 1x5g s ALA 90 Cb -0.13 -2.61 0.06 0.00 0.00 0.00 0.00 23.12 20.44 1x5g s ALA 90 CO 0.03 0.39 -0.02 0.71 0.00 0.00 0.00 175.76 176.87 1x5g s TYR 91 N -1.03 1.70 0.26 0.00 1.51 -1.03 -2.99 117.35 115.77 1x5g s TYR 91 Ca 0.28 -1.26 0.09 0.00 -1.01 0.00 0.00 57.07 55.18 1x5g s TYR 91 Cb -0.19 -1.30 -0.05 0.00 -0.11 0.00 0.00 41.96 40.31 1x5g s TYR 91 CO 0.18 -0.68 -0.15 0.54 -1.11 0.00 0.00 175.55 174.34 1x5g s ASN 92 N 1.63 3.10 0.22 2.29 4.22 -1.24 -1.65 114.94 123.51 1x5g s ASN 92 Ca -0.03 -1.06 0.01 0.00 -2.14 0.00 0.00 52.86 49.64 1x5g s ASN 92 Cb -0.17 -0.22 0.53 0.00 1.28 0.00 0.00 41.25 42.66 1x5g s ASN 92 CO -0.07 -0.12 1.12 2.29 -2.04 0.00 0.00 177.10 178.28 1x5g n LYS 93 N -0.54 -0.06 0.21 3.55 2.85 -1.26 -0.28 118.16 122.63 1x5g n LYS 93 Ca -0.06 1.07 -0.09 0.00 -1.05 0.00 0.00 58.31 58.18 1x5g n LYS 93 Cb 0.61 -1.69 -0.05 0.00 -0.65 0.00 0.00 35.03 33.25 1x5g n LYS 93 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1x5g h HIS 94 N 0.00 -0.63 0.00 5.58 3.86 -1.93 -3.49 115.15 118.54 1x5g h HIS 94 Ca 0.42 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.63 1x5g h HIS 94 Cb 0.86 0.23 0.00 0.00 1.06 0.00 0.00 27.41 29.55 1x5g h HIS 94 CO -0.38 -0.35 0.00 0.41 0.86 0.00 0.00 177.93 178.47 1x5g n GLY 95 N -1.30 -0.07 3.59 2.45 0.00 0.62 -5.10 105.19 105.38 1x5g n GLY 95 Ca -0.07 -1.10 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 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 3.32 0.00 1.61 0.04 -1.26 -3.59 135.00 133.12 1x5g s PRO 96 Ca 0.00 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.26 1x5g s PRO 96 Cb 0.00 -4.18 0.00 0.00 0.04 0.00 0.00 34.50 30.36 1x5g s PRO 96 CO 0.00 -1.88 0.00 0.41 0.04 0.00 0.00 177.00 175.57 1x5g n GLY 97 N 5.37 -1.83 2.99 0.56 0.00 -1.16 -4.97 105.19 106.16 1x5g n GLY 97 Ca 0.21 -1.49 -0.17 0.00 0.00 0.00 0.00 46.02 44.57 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 -4.45 1.61 0.24 -1.26 -4.77 118.33 108.54 1x5g n VAL 98 Ca 0.00 -0.04 -0.22 0.00 -2.04 0.00 0.00 64.34 62.04 1x5g n VAL 98 Cb 0.00 -0.42 -0.16 0.00 -1.47 0.00 0.00 33.84 31.78 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 -1.84 1.44 0.80 -1.34 0.15 -1.26 -4.46 113.70 107.19 1x5g s SER 99 Ca 0.33 -0.23 -0.14 0.00 0.70 0.00 0.00 55.95 56.61 1x5g s SER 99 Cb -0.05 -0.60 0.06 0.00 -1.71 0.00 0.00 66.02 63.72 1x5g s SER 99 CO 0.32 0.03 1.04 0.35 1.20 0.00 0.00 173.24 176.18 1x5g n THR 100 N 3.71 1.97 -2.20 6.45 -2.24 -1.16 -4.92 114.28 115.88 1x5g n THR 100 Ca -0.22 -0.25 -0.42 0.00 -2.27 0.00 0.00 64.05 60.89 1x5g n THR 100 Cb 0.52 -1.10 -0.03 0.00 -2.10 0.00 0.00 70.33 67.63 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 -3.83 4.33 0.34 -0.78 0.04 -1.26 -4.71 135.00 129.14 1x5g s PRO 101 Ca 0.71 2.04 -0.20 0.00 0.04 0.00 0.00 61.00 63.59 1x5g s PRO 101 Cb -0.30 -3.26 -0.14 0.00 0.04 0.00 0.00 34.50 30.84 1x5g s PRO 101 CO 0.53 -0.41 0.12 -0.40 0.04 0.00 0.00 177.00 176.88 1x5g n ASP 102 N 3.93 -2.43 -3.56 6.66 5.75 -1.26 -4.84 116.55 120.81 1x5g n ASP 102 Ca 0.11 0.77 -0.27 0.00 -0.01 0.00 0.00 54.79 55.38 1x5g n ASP 102 Cb 0.43 -0.80 -0.10 0.00 -1.03 0.00 0.00 41.12 39.61 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 -0.81 0.04 -2.28 2.12 0.31 0.61 -4.88 118.33 113.43 1x5g n VAL 103 Ca 0.11 -4.09 -0.42 0.00 -0.01 0.00 0.00 64.34 59.93 1x5g n VAL 103 Cb 0.35 -1.89 -0.03 0.00 -0.91 0.00 0.00 33.84 31.35 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 -0.73 3.52 0.02 3.52 0.00 -1.26 -2.71 121.76 124.12 1x5g s ALA 104 Ca 0.31 0.95 0.02 0.00 0.00 0.00 0.00 51.96 53.23 1x5g s ALA 104 Cb 0.03 -3.52 -0.01 0.00 0.00 0.00 0.00 23.12 19.61 1x5g s ALA 104 CO -0.17 -0.64 -0.07 0.54 0.00 0.00 0.00 175.76 175.41 1x5g s VAL 105 N 1.49 0.52 -0.15 0.00 0.11 -0.22 -4.89 120.40 117.25 1x5g s VAL 105 Ca 0.62 -0.67 -0.16 0.00 -2.93 0.00 0.00 61.98 58.85 1x5g s VAL 105 Cb -0.32 -0.51 -0.04 0.00 -1.53 0.00 0.00 36.38 33.97 1x5g s VAL 105 CO 0.28 -0.12 0.37 -0.60 -3.33 0.00 0.00 175.10 171.71 1x5g s ARG 106 N -0.86 4.27 0.77 1.54 3.52 -1.26 -0.70 118.95 126.23 1x5g s ARG 106 Ca -0.04 0.23 -0.11 0.00 -0.13 0.00 0.00 55.73 55.69 1x5g s ARG 106 Cb -0.06 -3.45 0.05 0.00 -1.56 0.00 0.00 34.95 29.93 1x5g s ARG 106 CO 0.00 0.16 1.08 0.95 -0.81 0.00 0.00 175.30 176.68 1x5g s THR 107 N 0.67 3.45 0.68 4.11 -4.23 -1.13 -4.66 115.64 114.53 1x5g s THR 107 Ca 0.20 0.47 -0.16 0.00 -1.18 0.00 0.00 61.69 61.02 1x5g s THR 107 Cb -0.14 -3.08 0.01 0.00 1.34 0.00 0.00 72.50 70.63 1x5g s THR 107 CO 0.07 -0.61 1.21 -0.76 -0.54 0.00 0.00 174.62 173.98 1x5g s LEU 108 N -5.81 3.43 -0.25 4.79 1.43 -1.26 -4.08 118.68 116.93 1x5g s LEU 108 Ca 0.60 2.37 -0.11 0.00 -1.03 0.00 0.00 54.13 55.97 1x5g s LEU 108 Cb -0.16 -4.59 -0.05 0.00 0.03 0.00 0.00 46.19 41.42 1x5g s LEU 108 CO 0.56 -2.04 0.17 -0.94 0.23 0.00 0.00 176.35 174.32 1x5g s SER 109 N -1.89 6.08 -0.10 2.29 1.04 -1.26 -2.92 113.70 116.95 1x5g s SER 109 Ca 0.76 0.08 -0.23 0.00 0.48 0.00 0.00 55.95 57.04 1x5g s SER 109 Cb -0.30 -2.11 -0.19 0.00 0.10 0.00 0.00 66.02 63.52 1x5g s SER 109 CO 0.42 0.04 0.75 -0.78 0.98 0.00 0.00 173.24 174.64 1x5g h ASP 110 N 7.70 -0.04 0.85 7.02 3.58 -1.94 -3.38 116.42 130.22 1x5g h ASP 110 Ca -0.37 -0.65 -0.04 0.00 0.42 0.00 0.00 57.03 56.39 1x5g h ASP 110 Cb 1.17 0.01 0.01 0.00 1.72 0.00 0.00 39.33 42.24 1x5g h ASP 110 CO 0.63 0.72 -0.41 -1.28 -2.88 0.00 0.00 179.24 176.03 1x5g h SER 111 N -0.90 -0.97 0.00 2.28 0.87 -1.97 -3.49 113.55 109.37 1x5g h SER 111 Ca -0.00 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1x5g h SER 111 Cb 0.69 0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.90 1x5g h SER 111 CO 0.01 -0.69 0.00 0.61 -0.53 0.00 0.00 176.83 176.23 1x5g n GLY 112 N -1.54 -1.89 0.26 5.77 0.00 -1.26 -4.97 105.19 101.55 1x5g n GLY 112 Ca -0.14 -1.16 0.14 0.00 0.00 0.00 0.00 46.02 44.86 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 -5.81 1.61 0.13 -1.95 -3.41 132.00 122.57 1x5g h PRO 113 Ca 0.00 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.52 1x5g h PRO 113 Cb 0.00 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.01 1x5g h PRO 113 CO 0.00 0.09 0.55 -1.54 -0.23 0.00 0.00 178.00 176.87 1x5g s SER 114 N -5.90 6.33 -0.38 1.44 1.04 -1.26 -4.98 113.70 109.99 1x5g s SER 114 Ca 0.00 -0.40 0.01 0.00 0.48 0.00 0.00 55.95 56.05 1x5g s SER 114 Cb 0.10 -2.43 0.12 0.00 0.10 0.00 0.00 66.02 63.91 1x5g s SER 114 CO 0.58 -1.22 0.16 -0.55 0.98 0.00 0.00 173.24 173.18 1x5g s SER 115 N 2.87 3.98 0.00 7.02 0.15 -1.26 -5.06 113.70 121.39 1x5g s SER 115 Ca 0.29 -2.21 0.00 0.00 0.70 0.00 0.00 55.95 54.74 1x5g s SER 115 Cb -0.13 -1.08 0.00 0.00 -1.71 0.00 0.00 66.02 63.10 1x5g s SER 115 CO 0.19 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 174.90