#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 0.97 -0.18 1.61 3.41 -1.26 -4.85 113.62 113.33 1x5g n SER 2 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.60 1x5g n SER 2 Cb 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.02 1x5g n SER 2 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1x5g h SER 3 N 0.00 -0.30 -5.00 4.04 4.64 -2.08 -3.48 113.55 111.37 1x5g h SER 3 Ca 0.00 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1x5g h SER 3 Cb 0.39 0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1x5g h SER 3 CO 0.00 -0.11 0.00 0.61 -0.87 0.00 0.00 176.83 176.46 1x5g n GLY 4 N -1.35 -0.85 2.82 -0.77 0.00 -1.26 -5.03 105.19 98.75 1x5g n GLY 4 Ca 0.07 -2.19 -0.18 0.00 0.00 0.00 0.00 46.02 43.72 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 -3.58 0.52 0.81 1.61 0.01 -1.26 -5.15 113.70 106.66 1x5g s SER 5 Ca 0.00 -0.04 -0.11 0.00 1.31 0.00 0.00 55.95 57.11 1x5g s SER 5 Cb 0.00 -0.25 0.08 0.00 0.21 0.00 0.00 66.02 66.06 1x5g s SER 5 CO 0.00 -0.10 1.09 -0.44 0.41 0.00 0.00 173.24 174.20 1x5g s SER 6 N 1.04 4.25 0.00 2.44 0.01 -1.26 -5.06 113.70 115.12 1x5g s SER 6 Ca -0.10 1.59 0.00 0.00 1.31 0.00 0.00 55.95 58.76 1x5g s SER 6 Cb -0.14 -2.31 0.00 0.00 0.21 0.00 0.00 66.02 63.78 1x5g s SER 6 CO -0.02 -2.16 0.00 0.61 0.41 0.00 0.00 173.24 172.08 1x5g n GLY 7 N -1.43 1.90 2.79 3.44 0.00 -1.26 -5.14 105.19 105.49 1x5g n GLY 7 Ca 0.08 0.31 -0.29 0.00 0.00 0.00 0.00 46.02 46.12 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 0.93 -0.14 1.61 0.52 -1.26 -5.12 118.95 115.49 1x5g s ARG 8 Ca 0.00 -0.65 0.01 0.00 -0.52 0.00 0.00 55.73 54.57 1x5g s ARG 8 Cb 0.00 -2.24 -0.00 0.00 0.52 0.00 0.00 34.95 33.23 1x5g s ARG 8 CO 0.00 -0.67 -0.16 0.08 0.02 0.00 0.00 175.30 174.58 1x5g s VAL 9 N 1.70 2.67 0.05 3.52 1.01 -1.26 -5.12 120.40 122.98 1x5g s VAL 9 Ca -0.01 -0.78 -0.03 0.00 0.00 0.00 0.00 61.98 61.16 1x5g s VAL 9 Cb -0.18 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 1x5g s VAL 9 CO -0.09 0.52 0.03 -1.83 0.00 0.00 0.00 175.10 173.73 1x5g s GLU 10 N 0.65 0.61 -0.10 2.72 1.03 -1.26 -5.17 118.70 117.18 1x5g s GLU 10 Ca -0.08 -1.03 -0.17 0.00 0.03 0.00 0.00 54.97 53.72 1x5g s GLU 10 Cb -0.16 0.22 0.04 0.00 -0.80 0.00 0.00 34.13 33.43 1x5g s GLU 10 CO 0.02 -0.14 0.41 0.99 -1.33 0.00 0.00 175.26 175.22 1x5g s THR 11 N -3.42 0.02 0.01 1.83 2.01 -1.26 -5.15 115.64 109.68 1x5g s THR 11 Ca 0.02 -0.17 -0.27 0.00 0.31 0.00 0.00 61.69 61.59 1x5g s THR 11 Cb 0.04 -0.65 -0.04 0.00 0.01 0.00 0.00 72.50 71.86 1x5g s THR 11 CO -0.08 -0.09 0.84 0.00 -0.69 0.00 0.00 174.62 174.60 1x5g s GLN 12 N -0.47 4.53 0.00 4.92 1.03 -1.26 -5.06 119.66 123.34 1x5g s GLN 12 Ca -0.06 1.18 0.00 0.00 0.04 0.00 0.00 55.36 56.52 1x5g s GLN 12 Cb -0.03 -3.42 0.00 0.00 0.03 0.00 0.00 33.01 29.59 1x5g s GLN 12 CO 0.03 0.12 0.00 -0.35 -2.54 0.00 0.00 175.29 172.55 1x5g n PRO 13 N 3.37 -0.27 -4.58 9.60 -0.04 -1.26 -5.09 135.00 136.73 1x5g n PRO 13 Ca 0.01 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.18 1x5g n PRO 13 Cb 0.51 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.88 1x5g n PRO 13 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1x5g s GLU 14 N -1.89 2.08 0.70 0.54 8.01 -1.26 -5.14 118.70 121.74 1x5g s GLU 14 Ca 0.00 -2.17 -0.11 0.00 0.01 0.00 0.00 54.97 52.70 1x5g s GLU 14 Cb 0.00 -1.66 0.01 0.00 -4.31 0.00 0.00 34.13 28.17 1x5g s GLU 14 CO 0.00 -0.19 1.06 0.14 0.01 0.00 0.00 175.26 176.29 1x5g s VAL 15 N -2.76 3.98 -0.37 2.63 -7.23 -1.26 -4.22 120.40 111.17 1x5g s VAL 15 Ca 0.26 0.64 -0.02 0.00 -1.81 0.00 0.00 61.98 61.05 1x5g s VAL 15 Cb 0.06 -3.43 0.00 0.00 0.56 0.00 0.00 36.38 33.57 1x5g s VAL 15 CO 0.14 -0.84 0.32 1.67 -0.31 0.00 0.00 175.10 176.08 1x5g n GLN 16 N -3.11 -2.18 -4.41 4.82 7.27 -1.26 -5.02 117.38 113.48 1x5g n GLN 16 Ca 0.07 0.24 -0.24 0.00 0.07 0.00 0.00 57.00 57.14 1x5g n GLN 16 Cb 0.54 -3.46 -0.10 0.00 2.41 0.00 0.00 30.24 29.64 1x5g n GLN 16 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1x5g s LEU 17 N -2.89 2.73 0.00 1.69 1.02 -1.26 -4.75 118.68 115.22 1x5g s LEU 17 Ca 0.13 -0.89 -0.06 0.00 0.02 0.00 0.00 54.13 53.33 1x5g s LEU 17 Cb -0.06 -1.28 0.08 0.00 0.02 0.00 0.00 46.19 44.95 1x5g s LEU 17 CO 0.21 0.05 0.29 -0.81 0.02 0.00 0.00 176.35 176.10 1x5g n PRO 18 N -0.53 -1.60 -4.62 1.29 -0.04 -1.26 -4.52 135.00 123.72 1x5g n PRO 18 Ca -0.07 -0.47 -0.28 0.00 -0.04 0.00 0.00 63.50 62.64 1x5g n PRO 18 Cb 0.59 -0.44 -0.09 0.00 -0.04 0.00 0.00 33.50 33.53 1x5g n PRO 18 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1x5g s GLY 19 N -3.01 2.70 -0.05 0.55 0.00 -1.21 -4.27 107.32 102.02 1x5g s GLY 19 Ca 0.19 -1.14 -0.30 0.00 0.00 0.00 0.00 44.72 43.47 1x5g s GLY 19 CO 0.15 -2.02 1.49 2.56 0.00 0.00 0.00 173.10 175.28 1x5g s PRO 20 N -3.80 4.22 -0.15 2.90 0.04 -1.26 -4.64 135.00 132.31 1x5g s PRO 20 Ca 0.20 2.01 -0.35 0.00 0.04 0.00 0.00 61.00 62.90 1x5g s PRO 20 Cb 0.04 -3.79 -0.12 0.00 0.04 0.00 0.00 34.50 30.67 1x5g s PRO 20 CO 0.10 -0.73 1.92 0.00 0.04 0.00 0.00 177.00 178.34 1x5g n ALA 21 N 6.39 0.82 -1.03 8.56 0.00 -1.26 -4.67 120.51 129.31 1x5g n ALA 21 Ca 0.15 0.23 -0.10 0.00 0.00 0.00 0.00 53.44 53.72 1x5g n ALA 21 Cb 0.43 -2.50 0.13 0.00 0.00 0.00 0.00 19.45 17.52 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 6.79 -2.14 -4.27 0.00 -0.04 -1.21 -4.18 135.00 129.96 1x5g n PRO 22 Ca 0.25 -0.92 -0.30 0.00 -0.04 0.00 0.00 63.50 62.49 1x5g n PRO 22 Cb 0.28 -0.86 -0.10 0.00 -0.04 0.00 0.00 33.50 32.78 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 -3.99 0.93 -4.52 3.54 5.03 -1.26 -1.29 115.26 113.70 1x5g n ASN 23 Ca 0.08 -1.24 -0.42 0.00 0.87 0.00 0.00 54.58 53.87 1x5g n ASN 23 Cb 0.31 -1.54 -0.03 0.00 -1.02 0.00 0.00 39.78 37.49 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 -7.26 3.70 0.08 3.41 2.96 -1.26 -3.67 118.68 116.64 1x5g s LEU 24 Ca 0.00 -0.56 0.07 0.00 -0.22 0.00 0.00 54.13 53.42 1x5g s LEU 24 Cb -0.00 -2.61 -0.04 0.00 0.50 0.00 0.00 46.19 44.05 1x5g s LEU 24 CO 0.97 -1.60 -0.12 -0.13 -1.32 0.00 0.00 176.35 174.14 1x5g s ARG 25 N 4.91 2.12 -0.13 1.98 1.81 0.79 -5.01 118.95 125.42 1x5g s ARG 25 Ca 0.31 -1.00 -0.06 0.00 -1.72 0.00 0.00 55.73 53.26 1x5g s ARG 25 Cb -0.11 -2.28 0.06 0.00 -0.45 0.00 0.00 34.95 32.16 1x5g s ARG 25 CO 0.15 0.52 0.31 0.00 -0.68 0.00 0.00 175.30 175.60 1x5g s ALA 26 N -1.12 -0.73 0.02 2.13 0.00 -1.26 -1.18 121.76 119.62 1x5g s ALA 26 Ca 0.19 1.16 -0.06 0.00 0.00 0.00 0.00 51.96 53.26 1x5g s ALA 26 Cb -0.11 -0.85 -0.01 0.00 0.00 0.00 0.00 23.12 22.16 1x5g s ALA 26 CO 0.11 -0.36 0.10 1.52 0.00 0.00 0.00 175.76 177.13 1x5g s TYR 27 N 1.66 0.14 -0.55 0.00 1.13 -0.46 -4.99 117.35 114.28 1x5g s TYR 27 Ca -0.07 -0.34 -0.24 0.00 -1.41 0.00 0.00 57.07 55.02 1x5g s TYR 27 Cb -0.10 -0.11 0.04 0.00 -1.10 0.00 0.00 41.96 40.69 1x5g s TYR 27 CO -0.10 -0.30 0.94 0.00 -2.51 0.00 0.00 175.55 173.58 1x5g s ALA 28 N -1.87 3.16 -1.09 9.51 0.00 -1.26 -0.75 121.76 129.46 1x5g s ALA 28 Ca -0.11 -1.23 0.23 0.00 0.00 0.00 0.00 51.96 50.85 1x5g s ALA 28 Cb -0.05 -3.74 1.04 0.00 0.00 0.00 0.00 23.12 20.37 1x5g s ALA 28 CO -0.01 -2.38 1.75 0.00 0.00 0.00 0.00 175.76 175.12 1x5g n ALA 29 N 7.46 2.10 -3.55 0.00 0.00 -1.25 -4.76 120.51 120.51 1x5g n ALA 29 Ca 0.02 -0.09 -0.06 0.00 0.00 0.00 0.00 53.44 53.31 1x5g n ALA 29 Cb 0.47 -1.38 -0.02 0.00 0.00 0.00 0.00 19.45 18.53 1x5g n ALA 29 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1x5g s SER 30 N -2.91 -0.27 0.00 0.00 0.01 -1.20 -4.95 113.70 104.38 1x5g s SER 30 Ca 0.14 -0.03 0.15 0.00 1.31 0.00 0.00 55.95 57.51 1x5g s SER 30 Cb 0.15 0.31 0.85 0.00 0.21 0.00 0.00 66.02 67.55 1x5g s SER 30 CO 0.41 -0.51 1.37 -0.81 0.41 0.00 0.00 173.24 174.11 1x5g n PRO 31 N -0.22 0.37 0.00 12.44 -0.04 -1.26 -2.35 135.00 143.93 1x5g n PRO 31 Ca -0.06 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 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 -1.12 0.00 -4.30 0.52 -2.24 -1.26 -3.30 114.28 102.59 1x5g n THR 32 Ca 0.10 -0.24 -0.16 0.00 -2.27 0.00 0.00 64.05 61.48 1x5g n THR 32 Cb 0.08 1.31 -0.10 0.00 -2.10 0.00 0.00 70.33 69.52 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 -0.20 1.05 -0.22 3.42 1.04 -0.99 -0.48 113.70 117.32 1x5g s SER 33 Ca 0.00 -1.41 -0.08 0.00 0.48 0.00 0.00 55.95 54.95 1x5g s SER 33 Cb 0.00 0.23 0.10 0.00 0.10 0.00 0.00 66.02 66.45 1x5g s SER 33 CO 0.00 -0.77 0.47 -0.63 0.98 0.00 0.00 173.24 173.29 1x5g s ILE 34 N -3.81 -0.74 -0.01 -1.02 1.01 -0.23 -3.25 121.20 113.16 1x5g s ILE 34 Ca 0.38 0.13 -0.19 0.00 0.00 0.00 0.00 60.65 60.97 1x5g s ILE 34 Cb 0.07 -0.75 -0.05 0.00 0.01 0.00 0.00 42.46 41.74 1x5g s ILE 34 CO 0.14 0.05 0.53 -0.89 0.00 0.00 0.00 174.94 174.77 1x5g s THR 35 N 2.68 4.96 -0.10 2.92 2.01 0.07 -1.91 115.64 126.28 1x5g s THR 35 Ca -0.03 1.10 -0.00 0.00 0.31 0.00 0.00 61.69 63.07 1x5g s THR 35 Cb -0.12 -3.86 0.02 0.00 0.01 0.00 0.00 72.50 68.56 1x5g s THR 35 CO -0.14 0.46 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.49 1x5g s VAL 36 N -0.37 0.90 -0.04 3.82 1.01 -0.80 -1.35 120.40 123.56 1x5g s VAL 36 Ca 0.28 -0.23 0.06 0.00 0.00 0.00 0.00 61.98 62.10 1x5g s VAL 36 Cb -0.17 -0.93 -0.02 0.00 0.00 0.00 0.00 36.38 35.26 1x5g s VAL 36 CO 0.15 0.34 -0.24 0.42 0.00 0.00 0.00 175.10 175.77 1x5g s THR 37 N 1.61 2.18 0.24 3.92 -4.23 -0.32 -2.01 115.64 117.02 1x5g s THR 37 Ca 0.02 -1.04 -0.01 0.00 -1.18 0.00 0.00 61.69 59.49 1x5g s THR 37 Cb -0.13 -1.78 -0.03 0.00 1.34 0.00 0.00 72.50 71.89 1x5g s THR 37 CO -0.06 0.58 0.21 -1.66 -0.54 0.00 0.00 174.62 173.14 1x5g s TRP 38 N -0.39 1.19 0.34 3.99 -2.14 -1.17 -0.15 118.94 120.62 1x5g s TRP 38 Ca 0.03 -1.36 0.09 0.00 2.66 0.00 0.00 56.10 57.52 1x5g s TRP 38 Cb -0.12 -0.49 -0.06 0.00 -3.10 0.00 0.00 33.47 29.70 1x5g s TRP 38 CO 0.01 -0.74 -0.07 -1.21 -2.66 0.00 0.00 176.95 172.28 1x5g s GLU 39 N -3.96 1.89 -0.03 3.25 0.41 -0.41 -4.77 118.70 115.08 1x5g s GLU 39 Ca 0.37 -1.89 -0.24 0.00 -0.41 0.00 0.00 54.97 52.80 1x5g s GLU 39 Cb 0.05 -1.76 -0.04 0.00 -1.78 0.00 0.00 34.13 30.60 1x5g s GLU 39 CO 0.15 0.14 0.73 0.99 -0.49 0.00 0.00 175.26 176.77 1x5g s THR 40 N -2.59 4.94 -0.21 3.63 2.01 -1.26 -3.29 115.64 118.88 1x5g s THR 40 Ca 0.33 1.51 -0.29 0.00 0.31 0.00 0.00 61.69 63.55 1x5g s THR 40 Cb 0.02 -4.07 -0.03 0.00 0.01 0.00 0.00 72.50 68.43 1x5g s THR 40 CO 0.17 0.29 1.60 -2.16 -0.69 0.00 0.00 174.62 173.83 1x5g s PRO 41 N 0.50 3.84 0.40 4.92 0.04 -1.26 -4.67 135.00 138.77 1x5g s PRO 41 Ca 0.38 1.70 0.25 0.00 0.04 0.00 0.00 61.00 63.36 1x5g s PRO 41 Cb -0.19 -4.02 1.35 0.00 0.04 0.00 0.00 34.50 31.68 1x5g s PRO 41 CO 0.20 -1.24 1.74 -0.39 0.04 0.00 0.00 177.00 177.35 1x5g h VAL 42 N 6.08 0.00 -2.91 -0.36 -1.51 -1.95 -3.41 116.25 112.19 1x5g h VAL 42 Ca -0.34 0.00 -0.64 0.00 -1.23 0.00 0.00 66.70 64.50 1x5g h VAL 42 Cb 1.15 0.55 -0.08 0.00 -2.13 0.00 0.00 31.29 30.78 1x5g h VAL 42 CO 1.00 0.00 -0.43 -0.55 -1.23 0.00 0.00 177.57 176.36 1x5g s SER 43 N -4.15 6.41 0.00 4.19 0.15 -1.26 -5.04 113.70 114.01 1x5g s SER 43 Ca -0.03 0.48 0.00 0.00 0.70 0.00 0.00 55.95 57.11 1x5g s SER 43 Cb 0.07 -2.11 0.00 0.00 -1.71 0.00 0.00 66.02 62.27 1x5g s SER 43 CO 0.23 0.31 0.00 0.61 1.20 0.00 0.00 173.24 175.58 1x5g n GLY 44 N 2.48 2.68 3.45 9.45 0.00 -1.26 -3.32 105.19 118.66 1x5g n GLY 44 Ca -0.17 -1.33 -0.34 0.00 0.00 0.00 0.00 46.02 44.17 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 4.74 0.29 1.61 3.84 -1.26 -4.99 114.94 119.17 1x5g s ASN 45 Ca 0.00 -0.20 0.00 0.00 0.21 0.00 0.00 52.86 52.87 1x5g s ASN 45 Cb 0.00 -1.79 0.00 0.00 -0.55 0.00 0.00 41.25 38.91 1x5g s ASN 45 CO 0.00 0.10 0.00 0.61 -2.79 0.00 0.00 177.10 175.02 1x5g n GLY 46 N 4.00 0.37 2.96 1.21 0.00 -1.26 -4.83 105.19 107.64 1x5g n GLY 46 Ca -0.17 -0.87 -0.17 0.00 0.00 0.00 0.00 46.02 44.81 1x5g n GLY 46 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x5g s GLU 47 N 0.00 0.53 0.46 1.61 2.12 -1.26 -5.13 118.70 117.03 1x5g s GLU 47 Ca 0.00 -0.20 -0.24 0.00 0.36 0.00 0.00 54.97 54.89 1x5g s GLU 47 Cb 0.00 -0.52 -0.09 0.00 0.26 0.00 0.00 34.13 33.78 1x5g s GLU 47 CO 0.00 0.11 1.17 -0.89 -0.54 0.00 0.00 175.26 175.10 1x5g n ILE 48 N 3.07 2.82 -0.12 -3.70 2.08 -1.26 -4.79 119.36 117.46 1x5g n ILE 48 Ca -0.15 -0.50 -0.23 0.00 0.56 0.00 0.00 62.75 62.44 1x5g n ILE 48 Cb 0.57 -1.41 -0.10 0.00 -0.75 0.00 0.00 39.64 37.95 1x5g n ILE 48 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1x5g n GLN 49 N -0.19 0.55 -3.62 0.38 1.13 -0.81 -5.02 117.38 109.80 1x5g n GLN 49 Ca 0.09 0.19 -0.14 0.00 -1.94 0.00 0.00 57.00 55.20 1x5g n GLN 49 Cb 0.41 -1.42 -0.06 0.00 0.11 0.00 0.00 30.24 29.28 1x5g n GLN 49 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1x5g s ASN 50 N -6.86 -0.38 -0.24 1.08 4.22 -1.09 -5.06 114.94 106.61 1x5g s ASN 50 Ca -0.34 0.15 -0.07 0.00 -2.14 0.00 0.00 52.86 50.47 1x5g s ASN 50 Cb 0.11 0.46 -0.03 0.00 1.28 0.00 0.00 41.25 43.08 1x5g s ASN 50 CO 0.48 -0.67 0.05 -0.31 -2.04 0.00 0.00 177.10 174.60 1x5g s TYR 51 N -2.28 3.07 -0.43 1.54 2.02 -1.23 -2.39 117.35 117.65 1x5g s TYR 51 Ca -0.06 -0.46 -0.21 0.00 -0.37 0.00 0.00 57.07 55.96 1x5g s TYR 51 Cb -0.01 -2.19 0.02 0.00 -0.40 0.00 0.00 41.96 39.38 1x5g s TYR 51 CO -0.01 -0.34 0.68 0.21 -1.57 0.00 0.00 175.55 174.53 1x5g s LYS 52 N 1.45 3.36 -0.25 -0.62 2.47 -0.33 -2.68 119.74 123.14 1x5g s LYS 52 Ca 0.05 -0.25 -0.08 0.00 -1.56 0.00 0.00 55.97 54.13 1x5g s LYS 52 Cb -0.15 -3.93 -0.04 0.00 -1.46 0.00 0.00 37.83 32.25 1x5g s LYS 52 CO 0.02 -1.01 0.11 -1.17 0.16 0.00 0.00 175.35 173.46 1x5g s LEU 53 N 2.93 3.65 0.19 5.43 2.96 -1.12 -1.12 118.68 131.60 1x5g s LEU 53 Ca 0.25 -0.12 0.04 0.00 -0.22 0.00 0.00 54.13 54.07 1x5g s LEU 53 Cb -0.14 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 44.53 1x5g s LEU 53 CO 0.20 -0.02 0.31 -0.31 -1.32 0.00 0.00 176.35 175.20 1x5g s TYR 54 N 1.56 3.45 -0.28 5.38 1.51 -0.54 -0.80 117.35 127.63 1x5g s TYR 54 Ca 0.06 0.05 -0.20 0.00 -1.01 0.00 0.00 57.07 55.97 1x5g s TYR 54 Cb -0.15 -1.61 0.09 0.00 -0.11 0.00 0.00 41.96 40.17 1x5g s TYR 54 CO 0.06 0.49 0.77 1.52 -1.11 0.00 0.00 175.55 177.28 1x5g s TYR 55 N -1.85 -0.85 0.17 2.71 1.13 -1.20 -3.47 117.35 113.99 1x5g s TYR 55 Ca 0.34 1.84 -0.19 0.00 -1.41 0.00 0.00 57.07 57.65 1x5g s TYR 55 Cb -0.10 0.45 0.04 0.00 -1.10 0.00 0.00 41.96 41.25 1x5g s TYR 55 CO 0.28 -0.42 0.52 0.00 -2.51 0.00 0.00 175.55 173.43 1x5g s MET 56 N 1.02 1.29 -0.61 -3.49 0.23 -1.01 -3.16 119.30 113.57 1x5g s MET 56 Ca -0.05 -0.72 -0.21 0.00 -1.03 0.00 0.00 55.69 53.69 1x5g s MET 56 Cb -0.05 0.53 0.08 0.00 -1.53 0.00 0.00 34.83 33.87 1x5g s MET 56 CO -0.11 -0.55 0.81 -2.00 -2.03 0.00 0.00 175.02 171.15 1x5g s GLU 57 N -3.82 3.09 -0.62 3.16 2.12 -1.26 -1.10 118.70 120.26 1x5g s GLU 57 Ca 0.05 -1.05 -0.23 0.00 0.36 0.00 0.00 54.97 54.10 1x5g s GLU 57 Cb -0.00 -4.23 -0.15 0.00 0.26 0.00 0.00 34.13 30.01 1x5g s GLU 57 CO -0.08 -1.63 1.78 1.17 -0.54 0.00 0.00 175.26 175.96 1x5g n LYS 58 N 6.93 0.00 0.00 4.30 3.00 -1.09 -0.76 118.16 130.55 1x5g n LYS 58 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.24 1x5g n LYS 58 Cb 0.44 -1.03 0.00 0.00 0.00 0.00 0.00 35.03 34.44 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 4.57 0.20 0.06 3.14 0.00 -1.26 -4.85 105.19 107.05 1x5g n GLY 59 Ca 0.44 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.42 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 0.84 -1.96 2.61 -1.04 0.06 -4.99 114.28 109.80 1x5g n THR 60 Ca 0.00 -0.60 -0.19 0.00 -2.04 0.00 0.00 64.05 61.22 1x5g n THR 60 Cb 0.00 -0.44 -0.04 0.00 -1.82 0.00 0.00 70.33 68.03 1x5g n THR 60 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1x5g n ASP 61 N -2.47 -5.35 -3.48 8.00 9.92 -1.26 -4.92 116.55 116.99 1x5g n ASP 61 Ca -0.21 0.22 -0.27 0.00 -0.53 0.00 0.00 54.79 54.00 1x5g n ASP 61 Cb 0.88 -4.45 -0.09 0.00 -0.64 0.00 0.00 41.12 36.83 1x5g n ASP 61 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1x5g n LYS 62 N -2.63 2.34 -1.85 -1.24 0.00 -1.26 -5.09 118.16 108.42 1x5g n LYS 62 Ca -0.21 -4.58 -0.38 0.00 0.00 0.00 0.00 58.31 53.14 1x5g n LYS 62 Cb 0.64 -2.21 0.03 0.00 0.00 0.00 0.00 35.03 33.49 1x5g n LYS 62 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1x5g s GLU 63 N -2.26 3.33 0.46 1.64 2.56 -1.26 -4.76 118.70 118.40 1x5g s GLU 63 Ca 0.37 2.21 0.03 0.00 0.00 0.00 0.00 54.97 57.58 1x5g s GLU 63 Cb 0.12 -2.36 -0.01 0.00 2.00 0.00 0.00 34.13 33.88 1x5g s GLU 63 CO -0.04 -1.03 0.09 -0.65 -0.56 0.00 0.00 175.26 173.07 1x5g s GLN 64 N -2.79 2.08 -0.10 4.30 -0.21 -1.19 -4.98 119.66 116.77 1x5g s GLN 64 Ca 0.68 -2.31 -0.09 0.00 0.02 0.00 0.00 55.36 53.66 1x5g s GLN 64 Cb -0.40 -0.92 0.03 0.00 1.00 0.00 0.00 33.01 32.72 1x5g s GLN 64 CO 0.48 -0.48 0.27 0.16 -2.12 0.00 0.00 175.29 173.60 1x5g s ASP 65 N -3.73 -0.29 -0.04 5.90 1.47 -1.26 -3.26 116.67 115.46 1x5g s ASP 65 Ca 0.14 0.55 0.01 0.00 1.18 0.00 0.00 52.55 54.44 1x5g s ASP 65 Cb 0.01 0.56 0.02 0.00 -0.34 0.00 0.00 42.92 43.17 1x5g s ASP 65 CO 0.10 -0.10 -0.05 0.68 0.68 0.00 0.00 175.17 176.48 1x5g s VAL 66 N 0.17 0.59 -0.06 2.11 -7.23 0.02 -4.97 120.40 111.03 1x5g s VAL 66 Ca -0.00 -0.17 -0.30 0.00 -1.81 0.00 0.00 61.98 59.70 1x5g s VAL 66 Cb -0.02 -0.59 -0.05 0.00 0.56 0.00 0.00 36.38 36.28 1x5g s VAL 66 CO 0.00 0.23 1.51 1.51 -0.31 0.00 0.00 175.10 178.04 1x5g s ASP 67 N 0.74 6.77 0.21 4.85 -4.77 -1.26 -2.78 116.67 120.43 1x5g s ASP 67 Ca -0.10 2.10 0.11 0.00 -3.30 0.00 0.00 52.55 51.36 1x5g s ASP 67 Cb -0.13 -2.54 -0.05 0.00 -1.09 0.00 0.00 42.92 39.11 1x5g s ASP 67 CO 0.01 -0.84 -0.22 -0.69 0.70 0.00 0.00 175.17 174.13 1x5g s VAL 68 N 3.47 2.46 -0.04 2.11 1.01 -1.09 -5.02 120.40 123.29 1x5g s VAL 68 Ca 0.67 -2.07 0.02 0.00 0.00 0.00 0.00 61.98 60.60 1x5g s VAL 68 Cb -0.31 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 1x5g s VAL 68 CO 0.26 -0.17 -0.02 -0.24 0.00 0.00 0.00 175.10 174.93 1x5g n SER 69 N 0.07 3.81 -4.94 3.32 2.88 -1.26 -3.57 113.62 113.94 1x5g n SER 69 Ca -0.11 -0.02 -0.25 0.00 -1.33 0.00 0.00 58.87 57.17 1x5g n SER 69 Cb 0.57 0.20 0.03 0.00 -0.75 0.00 0.00 64.21 64.26 1x5g n SER 69 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x5g s SER 70 N -4.05 5.61 0.47 -3.46 0.15 -1.26 -4.96 113.70 106.21 1x5g s SER 70 Ca -0.05 0.49 0.25 0.00 0.70 0.00 0.00 55.95 57.34 1x5g s SER 70 Cb 0.01 -1.54 1.10 0.00 -1.71 0.00 0.00 66.02 63.88 1x5g s SER 70 CO 0.13 -0.97 1.91 0.45 1.20 0.00 0.00 173.24 175.96 1x5g h HIS 71 N 0.03 0.00 -4.35 3.44 3.86 -1.96 -3.43 115.15 112.74 1x5g h HIS 71 Ca -0.45 0.00 -0.58 0.00 -1.16 0.00 0.00 60.37 58.17 1x5g h HIS 71 Cb 1.26 0.00 -0.29 0.00 1.06 0.00 0.00 27.41 29.44 1x5g h HIS 71 CO 0.45 0.20 -0.85 -1.54 0.86 0.00 0.00 177.93 177.05 1x5g s SER 72 N -6.17 2.33 0.01 2.45 1.04 -1.26 -3.02 113.70 109.08 1x5g s SER 72 Ca -0.01 -0.39 0.01 0.00 0.48 0.00 0.00 55.95 56.04 1x5g s SER 72 Cb 0.11 -0.25 -0.01 0.00 0.10 0.00 0.00 66.02 65.98 1x5g s SER 72 CO 0.62 0.22 -0.03 -0.47 0.98 0.00 0.00 173.24 174.56 1x5g s TYR 73 N -0.53 0.29 -0.18 5.02 6.14 -0.85 -4.98 117.35 122.26 1x5g s TYR 73 Ca 0.07 -0.17 -0.02 0.00 0.64 0.00 0.00 57.07 57.59 1x5g s TYR 73 Cb -0.08 -0.19 -0.01 0.00 0.42 0.00 0.00 41.96 42.10 1x5g s TYR 73 CO -0.00 -0.04 -0.08 0.99 0.64 0.00 0.00 175.55 177.06 1x5g s THR 74 N -0.43 3.32 -0.16 4.34 2.01 -1.26 -1.90 115.64 121.57 1x5g s THR 74 Ca -0.03 -0.54 -0.09 0.00 0.31 0.00 0.00 61.69 61.34 1x5g s THR 74 Cb -0.03 -2.46 -0.05 0.00 0.01 0.00 0.00 72.50 69.97 1x5g s THR 74 CO -0.00 0.47 0.15 -0.63 -0.69 0.00 0.00 174.62 173.93 1x5g s ILE 75 N 0.87 5.43 0.25 1.82 1.01 -0.80 -4.94 121.20 124.84 1x5g s ILE 75 Ca -0.02 0.24 0.11 0.00 0.00 0.00 0.00 60.65 60.98 1x5g s ILE 75 Cb -0.15 -3.46 -0.05 0.00 0.01 0.00 0.00 42.46 38.82 1x5g s ILE 75 CO 0.01 0.51 -0.15 0.20 0.00 0.00 0.00 174.94 175.51 1x5g s ASN 76 N -0.23 3.87 0.00 3.58 -0.87 -1.26 -1.07 114.94 118.96 1x5g s ASN 76 Ca 0.12 -0.86 0.00 0.00 -1.57 0.00 0.00 52.86 50.55 1x5g s ASN 76 Cb -0.12 -0.47 0.00 0.00 -0.02 0.00 0.00 41.25 40.64 1x5g s ASN 76 CO 0.01 0.05 0.00 0.61 -2.57 0.00 0.00 177.10 175.20 1x5g n GLY 77 N -0.47 0.77 3.33 0.66 0.00 -0.03 -4.97 105.19 104.49 1x5g n GLY 77 Ca -0.07 -0.43 -0.17 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.60 2.46 1.03 0.99 1.43 0.37 -5.01 118.68 118.35 1x5g s LEU 78 Ca 0.00 -1.08 -0.16 0.00 -1.03 0.00 0.00 54.13 51.86 1x5g s LEU 78 Cb 0.00 -0.49 0.21 0.00 0.03 0.00 0.00 46.19 45.94 1x5g s LEU 78 CO 0.00 -0.31 1.17 -0.54 0.23 0.00 0.00 176.35 176.89 1x5g s LYS 79 N -3.73 0.13 -0.11 1.70 -0.14 -1.26 -4.21 119.74 112.11 1x5g s LYS 79 Ca 0.23 0.03 -0.04 0.00 -1.36 0.00 0.00 55.97 54.83 1x5g s LYS 79 Cb 0.02 -1.75 -0.04 0.00 -1.68 0.00 0.00 37.83 34.39 1x5g s LYS 79 CO 0.06 -2.83 0.04 0.15 -0.76 0.00 0.00 175.35 172.01 1x5g s LYS 80 N -5.43 3.29 -1.31 1.68 3.01 -1.21 -4.37 119.74 115.41 1x5g s LYS 80 Ca 0.69 -0.34 -0.05 0.00 -1.01 0.00 0.00 55.97 55.26 1x5g s LYS 80 Cb -0.11 -2.96 0.01 0.00 -1.01 0.00 0.00 37.83 33.76 1x5g s LYS 80 CO 0.55 0.62 1.08 0.98 0.51 0.00 0.00 175.35 179.09 1x5g n TYR 81 N 2.41 -2.55 -4.46 3.18 9.36 -1.10 -4.92 117.16 119.07 1x5g n TYR 81 Ca -0.19 0.98 -0.20 0.00 3.32 0.00 0.00 57.90 61.81 1x5g n TYR 81 Cb 0.54 -4.98 -0.14 0.00 -0.63 0.00 0.00 39.34 34.12 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 -3.35 1.03 0.52 2.97 2.01 -1.26 -4.86 115.64 112.70 1x5g s THR 82 Ca 0.34 -0.74 -0.19 0.00 0.31 0.00 0.00 61.69 61.42 1x5g s THR 82 Cb -0.15 -0.89 -0.07 0.00 0.01 0.00 0.00 72.50 71.39 1x5g s THR 82 CO 0.74 0.15 1.03 -0.70 -0.69 0.00 0.00 174.62 175.15 1x5g s GLU 83 N -0.68 3.69 -0.14 4.92 2.12 -1.26 -1.85 118.70 125.51 1x5g s GLU 83 Ca 0.03 1.26 -0.06 0.00 0.36 0.00 0.00 54.97 56.56 1x5g s GLU 83 Cb -0.06 -2.08 0.06 0.00 0.26 0.00 0.00 34.13 32.30 1x5g s GLU 83 CO 0.00 -0.51 0.31 0.71 -0.54 0.00 0.00 175.26 175.23 1x5g s TYR 84 N -2.20 -0.47 0.24 5.30 2.02 0.85 -2.66 117.35 120.44 1x5g s TYR 84 Ca 0.65 1.04 -0.17 0.00 -0.37 0.00 0.00 57.07 58.21 1x5g s TYR 84 Cb -0.15 0.11 -0.08 0.00 -0.40 0.00 0.00 41.96 41.43 1x5g s TYR 84 CO 0.26 -0.32 0.70 0.45 -1.57 0.00 0.00 175.55 175.07 1x5g s SER 85 N 1.75 6.94 -0.05 2.29 0.15 -0.26 -0.46 113.70 124.06 1x5g s SER 85 Ca -0.06 1.33 -0.04 0.00 0.70 0.00 0.00 55.95 57.88 1x5g s SER 85 Cb -0.11 -2.39 0.02 0.00 -1.71 0.00 0.00 66.02 61.84 1x5g s SER 85 CO -0.10 -0.03 0.13 -0.36 1.20 0.00 0.00 173.24 174.07 1x5g s PHE 86 N -1.66 -0.14 -0.13 3.44 0.08 -0.76 -2.41 117.98 116.41 1x5g s PHE 86 Ca 0.46 0.36 -0.08 0.00 0.12 0.00 0.00 56.93 57.79 1x5g s PHE 86 Cb -0.14 0.01 0.04 0.00 -0.57 0.00 0.00 43.02 42.36 1x5g s PHE 86 CO 0.20 -0.09 0.32 -0.98 -0.10 0.00 0.00 175.22 174.56 1x5g s ARG 87 N 0.35 0.31 -0.02 0.44 1.70 -1.23 -0.42 118.95 120.09 1x5g s ARG 87 Ca -0.02 0.57 -0.01 0.00 -0.47 0.00 0.00 55.73 55.80 1x5g s ARG 87 Cb -0.04 0.01 -0.04 0.00 -0.57 0.00 0.00 34.95 34.31 1x5g s ARG 87 CO -0.01 -0.12 0.11 0.08 -1.08 0.00 0.00 175.30 174.27 1x5g s VAL 88 N 0.94 4.95 -0.01 4.99 1.01 -1.26 -1.47 120.40 129.55 1x5g s VAL 88 Ca -0.06 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.63 1x5g s VAL 88 Cb -0.07 -3.26 0.01 0.00 0.00 0.00 0.00 36.38 33.05 1x5g s VAL 88 CO -0.07 0.37 -0.03 -0.69 0.00 0.00 0.00 175.10 174.68 1x5g s VAL 89 N -1.20 0.31 -0.02 2.92 1.01 -0.28 -2.64 120.40 120.49 1x5g s VAL 89 Ca 0.23 -0.12 -0.22 0.00 0.00 0.00 0.00 61.98 61.87 1x5g s VAL 89 Cb -0.12 -0.29 -0.05 0.00 0.00 0.00 0.00 36.38 35.92 1x5g s VAL 89 CO 0.14 0.11 0.66 0.00 0.00 0.00 0.00 175.10 176.01 1x5g s ALA 90 N 0.21 3.41 -0.21 5.51 0.00 -1.26 -1.18 121.76 128.23 1x5g s ALA 90 Ca -0.02 0.11 0.01 0.00 0.00 0.00 0.00 51.96 52.06 1x5g s ALA 90 Cb -0.05 -2.87 0.04 0.00 0.00 0.00 0.00 23.12 20.24 1x5g s ALA 90 CO -0.00 0.04 -0.12 0.71 0.00 0.00 0.00 175.76 176.39 1x5g s TYR 91 N 0.23 2.65 0.16 0.00 1.51 -1.01 -3.12 117.35 117.78 1x5g s TYR 91 Ca 0.35 -1.77 0.08 0.00 -1.01 0.00 0.00 57.07 54.72 1x5g s TYR 91 Cb -0.18 -1.74 -0.04 0.00 -0.11 0.00 0.00 41.96 39.88 1x5g s TYR 91 CO 0.18 -0.78 -0.17 0.54 -1.11 0.00 0.00 175.55 174.21 1x5g s ASN 92 N 1.32 2.53 0.37 2.29 4.22 -1.25 -1.93 114.94 122.48 1x5g s ASN 92 Ca -0.02 -0.85 0.29 0.00 -2.14 0.00 0.00 52.86 50.14 1x5g s ASN 92 Cb -0.17 -0.14 1.21 0.00 1.28 0.00 0.00 41.25 43.44 1x5g s ASN 92 CO -0.08 -0.06 1.21 2.29 -2.04 0.00 0.00 177.10 178.42 1x5g n LYS 93 N 0.34 -0.02 0.23 3.55 2.85 -1.26 0.11 118.16 123.95 1x5g n LYS 93 Ca -0.14 0.93 -0.13 0.00 -1.05 0.00 0.00 58.31 57.92 1x5g n LYS 93 Cb 0.57 -1.92 -0.07 0.00 -0.65 0.00 0.00 35.03 32.96 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 -0.56 0.00 5.58 3.86 -1.94 -3.49 115.15 118.60 1x5g h HIS 94 Ca 0.70 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.89 1x5g h HIS 94 Cb 2.41 0.18 0.00 0.00 1.06 0.00 0.00 27.41 31.06 1x5g h HIS 94 CO -0.00 -0.23 0.00 0.41 0.86 0.00 0.00 177.93 178.97 1x5g n GLY 95 N -0.40 2.62 3.63 2.45 0.00 0.29 -5.09 105.19 108.69 1x5g n GLY 95 Ca -0.10 -1.07 -0.43 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 -2.04 3.83 0.00 1.61 0.04 -1.26 -3.84 135.00 133.35 1x5g s PRO 96 Ca 0.00 1.68 0.00 0.00 0.04 0.00 0.00 61.00 62.72 1x5g s PRO 96 Cb 0.00 -4.02 0.00 0.00 0.04 0.00 0.00 34.50 30.52 1x5g s PRO 96 CO 0.00 -1.25 0.00 0.41 0.04 0.00 0.00 177.00 176.20 1x5g n GLY 97 N 4.59 -0.33 2.62 0.56 0.00 -1.18 -4.83 105.19 106.62 1x5g n GLY 97 Ca 0.18 -1.21 -0.22 0.00 0.00 0.00 0.00 46.02 44.77 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 -3.93 1.61 0.24 -1.26 -4.93 118.33 110.05 1x5g n VAL 98 Ca 0.00 -0.35 -0.21 0.00 -2.04 0.00 0.00 64.34 61.74 1x5g n VAL 98 Cb 0.00 -1.17 -0.17 0.00 -1.47 0.00 0.00 33.84 31.03 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 -3.70 1.18 0.81 -1.34 0.15 -1.26 -4.48 113.70 105.06 1x5g s SER 99 Ca 0.53 -0.09 -0.15 0.00 0.70 0.00 0.00 55.95 56.94 1x5g s SER 99 Cb -0.05 -0.41 -0.03 0.00 -1.71 0.00 0.00 66.02 63.82 1x5g s SER 99 CO 0.41 -0.13 0.38 0.35 1.20 0.00 0.00 173.24 175.45 1x5g n THR 100 N 4.60 1.04 -2.21 6.45 -2.24 -1.08 -4.88 114.28 115.95 1x5g n THR 100 Ca -0.16 -0.34 -0.42 0.00 -2.27 0.00 0.00 64.05 60.86 1x5g n THR 100 Cb 0.50 -0.63 -0.03 0.00 -2.10 0.00 0.00 70.33 68.07 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 -2.94 4.35 0.01 -0.78 0.04 -1.26 -4.72 135.00 129.70 1x5g s PRO 101 Ca 0.61 2.03 -0.38 0.00 0.04 0.00 0.00 61.00 63.31 1x5g s PRO 101 Cb -0.30 -3.24 -0.19 0.00 0.04 0.00 0.00 34.50 30.81 1x5g s PRO 101 CO 0.63 -0.37 0.99 -0.25 0.04 0.00 0.00 177.00 178.04 1x5g n ASP 102 N 3.60 -0.08 -4.00 6.66 8.00 -1.26 -4.82 116.55 124.66 1x5g n ASP 102 Ca 0.10 1.11 -0.32 0.00 0.71 0.00 0.00 54.79 56.38 1x5g n ASP 102 Cb 0.43 -0.88 -0.11 0.00 -0.02 0.00 0.00 41.12 40.54 1x5g n ASP 102 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1x5g s VAL 103 N -0.05 3.29 0.10 2.53 1.01 0.44 -4.87 120.40 122.85 1x5g s VAL 103 Ca 0.85 -3.65 -0.30 0.00 0.00 0.00 0.00 61.98 58.88 1x5g s VAL 103 Cb -1.19 -3.15 -0.06 0.00 0.00 0.00 0.00 36.38 31.97 1x5g s VAL 103 CO 0.54 -0.94 1.12 0.00 0.00 0.00 0.00 175.10 175.82 1x5g s ALA 104 N -0.82 3.34 -0.03 5.51 0.00 -1.25 -1.82 121.76 126.69 1x5g s ALA 104 Ca 0.21 0.77 -0.02 0.00 0.00 0.00 0.00 51.96 52.93 1x5g s ALA 104 Cb -0.14 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.60 1x5g s ALA 104 CO -0.08 -0.30 0.07 0.54 0.00 0.00 0.00 175.76 175.99 1x5g s VAL 105 N 0.51 -0.01 -0.10 0.00 0.11 0.39 -4.87 120.40 116.43 1x5g s VAL 105 Ca 0.54 0.02 -0.17 0.00 -2.93 0.00 0.00 61.98 59.44 1x5g s VAL 105 Cb -0.28 -0.11 -0.05 0.00 -1.53 0.00 0.00 36.38 34.42 1x5g s VAL 105 CO 0.31 0.01 0.43 -0.60 -3.33 0.00 0.00 175.10 171.93 1x5g s ARG 106 N 0.17 4.25 0.95 1.54 3.52 -1.26 -0.11 118.95 128.01 1x5g s ARG 106 Ca -0.01 0.38 -0.14 0.00 -0.13 0.00 0.00 55.73 55.84 1x5g s ARG 106 Cb -0.02 -3.39 0.16 0.00 -1.56 0.00 0.00 34.95 30.14 1x5g s ARG 106 CO -0.00 0.27 1.17 0.95 -0.81 0.00 0.00 175.30 176.88 1x5g s THR 107 N 0.27 1.95 0.38 4.11 -4.23 -0.77 -4.68 115.64 112.66 1x5g s THR 107 Ca 0.24 0.00 -0.24 0.00 -1.18 0.00 0.00 61.69 60.51 1x5g s THR 107 Cb -0.15 -2.79 -0.10 0.00 1.34 0.00 0.00 72.50 70.80 1x5g s THR 107 CO 0.10 0.00 1.00 -0.76 -0.54 0.00 0.00 174.62 174.42 1x5g s LEU 108 N -6.07 4.18 -0.18 4.79 1.43 -1.26 -3.80 118.68 117.77 1x5g s LEU 108 Ca 0.66 1.92 -0.17 0.00 -1.03 0.00 0.00 54.13 55.51 1x5g s LEU 108 Cb -0.12 -4.18 -0.04 0.00 0.03 0.00 0.00 46.19 41.89 1x5g s LEU 108 CO 0.53 -0.33 0.45 -0.55 0.23 0.00 0.00 176.35 176.69 1x5g s SER 109 N -1.67 6.54 -0.20 2.29 0.15 -1.26 -2.71 113.70 116.84 1x5g s SER 109 Ca 0.56 0.64 -0.28 0.00 0.70 0.00 0.00 55.95 57.57 1x5g s SER 109 Cb -0.19 -2.26 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 1x5g s SER 109 CO 0.24 -0.08 0.97 -0.62 1.20 0.00 0.00 173.24 174.95 1x5g s ASP 110 N 0.94 7.06 -0.11 5.45 2.15 -1.26 -4.93 116.67 125.97 1x5g s ASP 110 Ca 0.22 1.32 -0.15 0.00 0.43 0.00 0.00 52.55 54.37 1x5g s ASP 110 Cb -0.15 -2.51 -0.27 0.00 -0.30 0.00 0.00 42.92 39.69 1x5g s ASP 110 CO 0.09 -0.57 0.53 0.77 -0.17 0.00 0.00 175.17 175.82 1x5g h SER 111 N 7.41 0.38 0.00 -0.34 4.64 -2.05 -3.50 113.55 120.08 1x5g h SER 111 Ca -0.23 -0.85 0.00 0.00 -0.47 0.00 0.00 61.79 60.24 1x5g h SER 111 Cb 1.09 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1x5g h SER 111 CO 0.92 1.64 0.00 0.61 -0.87 0.00 0.00 176.83 179.13 1x5g n GLY 112 N 1.76 1.60 3.61 -0.77 0.00 -1.26 -5.10 105.19 105.03 1x5g n GLY 112 Ca -0.26 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 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 0.00 -1.00 -0.28 1.61 0.04 -1.26 -5.09 135.00 129.03 1x5g s PRO 113 Ca 0.00 0.01 -0.05 0.00 0.04 0.00 0.00 61.00 61.00 1x5g s PRO 113 Cb 0.00 -1.62 0.15 0.00 0.04 0.00 0.00 34.50 33.07 1x5g s PRO 113 CO 0.00 -3.58 0.56 0.45 0.04 0.00 0.00 177.00 174.47 1x5g s SER 114 N -3.83 -0.89 -0.10 6.66 0.15 -1.26 -5.16 113.70 109.26 1x5g s SER 114 Ca 0.70 1.04 -0.16 0.00 0.70 0.00 0.00 55.95 58.23 1x5g s SER 114 Cb -0.11 1.94 0.04 0.00 -1.71 0.00 0.00 66.02 66.17 1x5g s SER 114 CO 0.56 -0.25 0.41 -0.44 1.20 0.00 0.00 173.24 174.73 1x5g s SER 115 N 2.79 -0.38 0.00 5.45 0.01 -1.26 -5.31 113.70 114.99 1x5g s SER 115 Ca 0.07 0.60 0.27 0.00 1.31 0.00 0.00 55.95 58.20 1x5g s SER 115 Cb -0.14 0.66 0.75 0.00 0.21 0.00 0.00 66.02 67.51 1x5g s SER 115 CO -0.18 -0.29 1.58 0.61 0.41 0.00 0.00 173.24 175.37