#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5h s SER 2 N 0.00 -0.44 0.29 1.61 0.01 -1.26 -5.19 113.70 108.72 1x5h s SER 2 Ca 0.00 0.58 -0.19 0.00 1.31 0.00 0.00 55.95 57.64 1x5h s SER 2 Cb 0.00 0.49 0.06 0.00 0.21 0.00 0.00 66.02 66.77 1x5h s SER 2 CO 0.00 -0.34 0.86 -0.44 0.41 0.00 0.00 173.24 173.73 1x5h s SER 3 N -0.82 -0.06 0.00 2.44 0.01 -1.26 -5.16 113.70 108.85 1x5h s SER 3 Ca -0.02 -0.86 0.00 0.00 1.31 0.00 0.00 55.95 56.38 1x5h s SER 3 Cb -0.01 0.70 0.00 0.00 0.21 0.00 0.00 66.02 66.92 1x5h s SER 3 CO 0.01 -1.37 0.00 0.61 0.41 0.00 0.00 173.24 172.90 1x5h n GLY 4 N -0.56 2.65 3.57 3.44 0.00 -1.26 -5.18 105.19 107.86 1x5h n GLY 4 Ca -0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 46.02 45.94 1x5h n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x5h s SER 5 N 0.00 -0.55 0.02 1.61 1.04 -1.26 -5.18 113.70 109.38 1x5h s SER 5 Ca 0.00 0.83 -0.29 0.00 0.48 0.00 0.00 55.95 56.97 1x5h s SER 5 Cb 0.00 1.37 0.11 0.00 0.10 0.00 0.00 66.02 67.60 1x5h s SER 5 CO 0.00 -0.13 1.22 -0.55 0.98 0.00 0.00 173.24 174.76 1x5h s SER 6 N 1.72 -0.08 0.00 7.02 0.15 -1.26 -4.99 113.70 116.25 1x5h s SER 6 Ca -0.07 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.38 1x5h s SER 6 Cb -0.05 0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.50 1x5h s SER 6 CO -0.16 -0.43 0.00 0.61 1.20 0.00 0.00 173.24 174.46 1x5h n GLY 7 N -0.50 2.83 2.92 9.45 0.00 -1.26 -5.10 105.19 113.54 1x5h n GLY 7 Ca -0.08 -1.10 -0.11 0.00 0.00 0.00 0.00 46.02 44.73 1x5h n GLY 7 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1x5h s ASP 8 N 0.00 0.43 -0.07 1.61 -4.77 -1.26 -5.15 116.67 107.47 1x5h s ASP 8 Ca 0.00 0.24 -0.05 0.00 -3.30 0.00 0.00 52.55 49.44 1x5h s ASP 8 Cb 0.00 0.96 0.02 0.00 -1.09 0.00 0.00 42.92 42.81 1x5h s ASP 8 CO 0.00 -0.29 0.17 -0.69 0.70 0.00 0.00 175.17 175.05 1x5h s VAL 9 N 2.50 -0.01 -0.29 2.11 1.01 -1.26 -5.15 120.40 119.31 1x5h s VAL 9 Ca 0.09 0.04 -0.22 0.00 0.00 0.00 0.00 61.98 61.89 1x5h s VAL 9 Cb -0.15 -0.25 0.16 0.00 0.00 0.00 0.00 36.38 36.14 1x5h s VAL 9 CO -0.14 0.02 1.17 0.00 0.00 0.00 0.00 175.10 176.14 1x5h s ALA 10 N 0.36 -2.18 -0.16 5.51 0.00 -1.26 -4.86 121.76 119.16 1x5h s ALA 10 Ca -0.02 1.89 -0.10 0.00 0.00 0.00 0.00 51.96 53.73 1x5h s ALA 10 Cb -0.04 -1.65 0.05 0.00 0.00 0.00 0.00 23.12 21.49 1x5h s ALA 10 CO -0.01 -0.22 0.41 0.08 0.00 0.00 0.00 175.76 176.01 1x5h s VAL 11 N 0.47 -0.02 -0.43 0.00 1.01 -1.26 -5.05 120.40 115.12 1x5h s VAL 11 Ca 0.01 0.07 -0.03 0.00 0.00 0.00 0.00 61.98 62.03 1x5h s VAL 11 Cb -0.04 -0.59 0.12 0.00 0.00 0.00 0.00 36.38 35.86 1x5h s VAL 11 CO -0.11 0.03 0.23 -0.13 0.00 0.00 0.00 175.10 175.12 1x5h s ARG 12 N 1.10 2.06 0.21 2.72 1.81 -1.26 -4.75 118.95 120.83 1x5h s ARG 12 Ca -0.07 -1.89 -0.25 0.00 -1.72 0.00 0.00 55.73 51.80 1x5h s ARG 12 Cb -0.07 -3.60 -0.08 0.00 -0.45 0.00 0.00 34.95 30.74 1x5h s ARG 12 CO -0.09 -1.09 0.81 0.99 -0.68 0.00 0.00 175.30 175.24 1x5h s THR 13 N 1.02 4.36 -0.52 0.02 2.01 -1.26 -4.97 115.64 116.30 1x5h s THR 13 Ca 0.09 1.66 -0.04 0.00 0.31 0.00 0.00 61.69 63.72 1x5h s THR 13 Cb -0.23 -4.07 0.11 0.00 0.01 0.00 0.00 72.50 68.33 1x5h s THR 13 CO -0.04 0.39 2.64 0.18 -0.69 0.00 0.00 174.62 177.10 1x5h n LEU 14 N 1.21 6.66 -3.83 4.42 4.77 -1.26 -4.89 117.00 124.09 1x5h n LEU 14 Ca -0.03 -4.20 -0.11 0.00 -0.03 0.00 0.00 56.01 51.63 1x5h n LEU 14 Cb 0.49 -1.20 -0.09 0.00 -2.33 0.00 0.00 43.42 40.29 1x5h n LEU 14 CO 0.45 1.74 -0.08 -0.44 -1.33 0.00 0.00 177.39 177.73 1x5h s SER 15 N 0.10 -0.03 -0.02 -1.43 0.01 -1.26 -5.08 113.70 105.99 1x5h s SER 15 Ca 0.58 -0.19 -0.23 0.00 1.31 0.00 0.00 55.95 57.42 1x5h s SER 15 Cb 0.39 0.27 -0.15 0.00 0.21 0.00 0.00 66.02 66.74 1x5h s SER 15 CO -0.26 -0.47 1.03 0.44 0.41 0.00 0.00 173.24 174.39 1x5h h ASP 16 N 3.81 -0.34 -4.16 2.44 5.19 -1.96 -3.45 116.42 117.95 1x5h h ASP 16 Ca -0.31 -0.20 -0.54 0.00 -0.62 0.00 0.00 57.03 55.36 1x5h h ASP 16 Cb 1.19 0.09 0.16 0.00 0.18 0.00 0.00 39.33 40.95 1x5h h ASP 16 CO 0.43 0.10 0.42 0.68 -3.12 0.00 0.00 179.24 177.76 1x5h s VAL 17 N -4.09 2.16 0.35 -1.35 -7.23 -1.26 -4.87 120.40 104.11 1x5h s VAL 17 Ca -0.13 0.08 -0.27 0.00 -1.81 0.00 0.00 61.98 59.85 1x5h s VAL 17 Cb 0.01 -2.76 -0.09 0.00 0.56 0.00 0.00 36.38 34.10 1x5h s VAL 17 CO 0.48 -0.04 1.21 -2.16 -0.31 0.00 0.00 175.10 174.28 1x5h s PRO 18 N -3.76 4.27 -0.65 4.82 0.04 -1.26 -4.98 135.00 133.47 1x5h s PRO 18 Ca 0.77 1.98 0.04 0.00 0.04 0.00 0.00 61.00 63.83 1x5h s PRO 18 Cb -0.32 -2.92 0.34 0.00 0.04 0.00 0.00 34.50 31.65 1x5h s PRO 18 CO 0.44 -0.18 1.14 0.45 0.04 0.00 0.00 177.00 178.90 1x5h n SER 19 N 0.55 5.09 -3.68 6.66 2.88 -1.26 -4.06 113.62 119.80 1x5h n SER 19 Ca 0.02 -3.70 -0.12 0.00 -1.33 0.00 0.00 58.87 53.74 1x5h n SER 19 Cb 0.44 -0.67 -0.12 0.00 -0.75 0.00 0.00 64.21 63.11 1x5h n SER 19 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x5h s ALA 20 N -3.65 -0.74 0.22 -1.46 0.00 -1.26 -4.93 121.76 109.94 1x5h s ALA 20 Ca 0.47 1.15 0.07 0.00 0.00 0.00 0.00 51.96 53.65 1x5h s ALA 20 Cb 0.28 -0.96 -0.04 0.00 0.00 0.00 0.00 23.12 22.40 1x5h s ALA 20 CO -0.15 -0.49 0.15 0.00 0.00 0.00 0.00 175.76 175.27 1x5h s ALA 21 N 2.00 3.52 0.16 0.00 0.00 -1.26 -4.39 121.76 121.78 1x5h s ALA 21 Ca -0.04 -1.37 -0.31 0.00 0.00 0.00 0.00 51.96 50.25 1x5h s ALA 21 Cb -0.11 -1.26 -0.08 0.00 0.00 0.00 0.00 23.12 21.67 1x5h s ALA 21 CO -0.10 0.35 1.33 -1.25 0.00 0.00 0.00 175.76 176.09 1x5h s PRO 22 N -3.53 4.37 0.43 0.00 0.04 -1.26 -4.37 135.00 130.68 1x5h s PRO 22 Ca 0.32 2.04 0.07 0.00 0.04 0.00 0.00 61.00 63.47 1x5h s PRO 22 Cb -0.09 -3.23 0.07 0.00 0.04 0.00 0.00 34.50 31.30 1x5h s PRO 22 CO 0.24 -0.32 0.58 0.00 0.04 0.00 0.00 177.00 177.53 1x5h n GLN 23 N 3.23 0.72 -3.47 4.56 10.64 -1.11 -4.58 117.38 127.37 1x5h n GLN 23 Ca 0.08 -2.37 -0.25 0.00 -1.83 0.00 0.00 57.00 52.63 1x5h n GLN 23 Cb 0.43 -0.14 0.01 0.00 -0.86 0.00 0.00 30.24 29.68 1x5h n GLN 23 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1x5h n ASN 24 N -2.44 -4.23 -4.71 2.61 3.02 -1.26 -2.32 115.26 105.93 1x5h n ASN 24 Ca 0.11 -0.49 -0.32 0.00 -0.03 0.00 0.00 54.58 53.85 1x5h n ASN 24 Cb 0.45 -3.46 0.12 0.00 -0.61 0.00 0.00 39.78 36.28 1x5h n ASN 24 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1x5h s LEU 25 N -6.71 3.08 -0.11 3.41 2.96 -1.26 -4.49 118.68 115.56 1x5h s LEU 25 Ca 0.46 2.18 -0.30 0.00 -0.22 0.00 0.00 54.13 56.25 1x5h s LEU 25 Cb -0.24 -4.57 0.12 0.00 0.50 0.00 0.00 46.19 42.00 1x5h s LEU 25 CO 0.57 -2.54 0.95 -0.94 -1.32 0.00 0.00 176.35 173.07 1x5h s SER 26 N -2.55 -0.38 -0.39 3.68 1.04 0.12 -4.96 113.70 110.26 1x5h s SER 26 Ca 0.69 0.31 0.02 0.00 0.48 0.00 0.00 55.95 57.45 1x5h s SER 26 Cb -0.24 0.34 0.11 0.00 0.10 0.00 0.00 66.02 66.33 1x5h s SER 26 CO 0.52 -0.43 0.15 -0.76 0.98 0.00 0.00 173.24 173.69 1x5h s LEU 27 N -1.51 3.61 -0.97 2.42 1.43 -1.26 -0.18 118.68 122.23 1x5h s LEU 27 Ca -0.00 -2.32 -0.23 0.00 -1.03 0.00 0.00 54.13 50.55 1x5h s LEU 27 Cb -0.01 -1.32 0.06 0.00 0.03 0.00 0.00 46.19 44.95 1x5h s LEU 27 CO -0.01 -0.33 1.38 -0.70 0.23 0.00 0.00 176.35 176.92 1x5h s GLU 28 N 0.70 3.53 -0.81 1.70 2.56 0.24 -4.89 118.70 121.74 1x5h s GLU 28 Ca 0.13 -1.08 -0.25 0.00 0.00 0.00 0.00 54.97 53.77 1x5h s GLU 28 Cb -0.21 -5.14 -0.15 0.00 2.00 0.00 0.00 34.13 30.63 1x5h s GLU 28 CO -0.09 -2.14 2.39 0.28 -0.56 0.00 0.00 175.26 175.15 1x5h n VAL 29 N 6.64 0.00 0.13 3.70 0.31 -1.26 -1.38 118.33 126.46 1x5h n VAL 29 Ca 0.27 -0.47 -0.14 0.00 -0.01 0.00 0.00 64.34 64.00 1x5h n VAL 29 Cb 0.50 -1.94 -0.08 0.00 -0.91 0.00 0.00 33.84 31.42 1x5h n VAL 29 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1x5h h ARG 30 N 12.58 -0.26 -4.96 5.55 2.47 -1.88 -3.47 114.38 124.42 1x5h h ARG 30 Ca 0.00 0.02 -0.51 0.00 -1.26 0.00 0.00 59.98 58.23 1x5h h ARG 30 Cb 1.00 0.06 -0.13 0.00 -1.65 0.00 0.00 29.97 29.25 1x5h h ARG 30 CO 1.02 -0.12 -0.51 -0.80 0.56 0.00 0.00 179.97 180.12 1x5h s ASN 31 N -5.01 2.21 0.49 7.04 0.01 -0.41 -5.00 114.94 114.28 1x5h s ASN 31 Ca -0.15 -1.69 0.28 0.00 -0.71 0.00 0.00 52.86 50.59 1x5h s ASN 31 Cb 0.05 0.51 0.80 0.00 0.41 0.00 0.00 41.25 43.02 1x5h s ASN 31 CO 0.64 -0.97 1.78 0.77 -1.51 0.00 0.00 177.10 177.80 1x5h h SER 32 N 1.97 0.00 0.00 -1.22 4.64 -1.90 -3.18 113.55 113.86 1x5h h SER 32 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1x5h h SER 32 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1x5h h SER 32 CO 0.49 0.00 -0.99 2.29 -0.87 0.00 0.00 176.83 177.75 1x5h n LYS 33 N -3.10 1.95 -4.75 4.77 2.85 -1.26 -3.19 118.16 115.43 1x5h n LYS 33 Ca 0.02 -0.05 -0.27 0.00 -1.05 0.00 0.00 58.31 56.97 1x5h n LYS 33 Cb 0.43 -1.13 -0.14 0.00 -0.65 0.00 0.00 35.03 33.53 1x5h n LYS 33 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1x5h s SER 34 N -2.63 2.57 -0.10 -5.58 1.04 -1.20 0.18 113.70 107.98 1x5h s SER 34 Ca 0.00 -0.51 -0.02 0.00 0.48 0.00 0.00 55.95 55.91 1x5h s SER 34 Cb 0.08 -0.23 0.04 0.00 0.10 0.00 0.00 66.02 66.00 1x5h s SER 34 CO 0.45 0.19 0.01 -0.63 0.98 0.00 0.00 173.24 174.24 1x5h s ILE 35 N -0.75 0.42 0.06 -1.02 1.01 0.24 -1.28 121.20 119.88 1x5h s ILE 35 Ca 0.08 -0.05 -0.25 0.00 0.00 0.00 0.00 60.65 60.42 1x5h s ILE 35 Cb -0.09 -0.66 -0.06 0.00 0.01 0.00 0.00 42.46 41.66 1x5h s ILE 35 CO 0.01 0.14 0.78 -0.32 0.00 0.00 0.00 174.94 175.56 1x5h s MET 36 N 1.94 4.52 -0.18 2.79 -2.45 -0.48 -1.85 119.30 123.59 1x5h s MET 36 Ca 0.04 1.11 -0.04 0.00 -1.25 0.00 0.00 55.69 55.54 1x5h s MET 36 Cb -0.13 -3.36 -0.03 0.00 1.25 0.00 0.00 34.83 32.56 1x5h s MET 36 CO -0.06 0.30 -0.02 0.42 1.05 0.00 0.00 175.02 176.71 1x5h s ILE 37 N -0.15 3.93 -0.15 10.11 1.01 0.26 0.83 121.20 137.04 1x5h s ILE 37 Ca 0.39 -0.33 0.02 0.00 0.00 0.00 0.00 60.65 60.73 1x5h s ILE 37 Cb -0.21 -2.75 0.01 0.00 0.01 0.00 0.00 42.46 39.52 1x5h s ILE 37 CO 0.24 0.46 -0.21 -1.00 0.00 0.00 0.00 174.94 174.43 1x5h s HIS 38 N 0.65 2.71 0.26 3.97 3.76 0.75 -1.84 115.29 125.56 1x5h s HIS 38 Ca -0.01 -1.38 0.03 0.00 -0.15 0.00 0.00 55.06 53.55 1x5h s HIS 38 Cb -0.14 -1.85 -0.04 0.00 1.11 0.00 0.00 32.58 31.67 1x5h s HIS 38 CO 0.02 -0.64 0.20 1.67 -0.85 0.00 0.00 174.74 175.14 1x5h s TRP 39 N 0.92 1.45 0.10 1.40 -2.14 -0.91 0.13 118.94 119.89 1x5h s TRP 39 Ca -0.04 -1.51 0.05 0.00 2.66 0.00 0.00 56.10 57.26 1x5h s TRP 39 Cb -0.15 -0.65 -0.03 0.00 -3.10 0.00 0.00 33.47 29.54 1x5h s TRP 39 CO -0.04 -0.73 -0.12 -0.65 -2.66 0.00 0.00 176.95 172.75 1x5h s GLN 40 N -3.82 0.87 0.34 3.25 -1.52 -0.98 -4.74 119.66 113.07 1x5h s GLN 40 Ca 0.40 -1.11 -0.28 0.00 -1.95 0.00 0.00 55.36 52.42 1x5h s GLN 40 Cb 0.05 -0.70 -0.09 0.00 -0.22 0.00 0.00 33.01 32.05 1x5h s GLN 40 CO 0.19 0.13 1.21 -1.25 -0.25 0.00 0.00 175.29 175.33 1x5h s PRO 41 N -2.44 4.31 1.02 2.91 0.04 -1.26 -2.74 135.00 136.84 1x5h s PRO 41 Ca 0.04 1.99 -0.13 0.00 0.04 0.00 0.00 61.00 62.94 1x5h s PRO 41 Cb -0.06 -2.96 0.20 0.00 0.04 0.00 0.00 34.50 31.73 1x5h s PRO 41 CO 0.01 -0.15 1.09 -1.25 0.04 0.00 0.00 177.00 176.75 1x5h s PRO 42 N -1.89 0.24 0.72 0.56 0.04 -1.26 -4.70 135.00 128.71 1x5h s PRO 42 Ca 0.51 0.46 -0.16 0.00 0.04 0.00 0.00 61.00 61.84 1x5h s PRO 42 Cb -0.35 -1.72 0.03 0.00 0.04 0.00 0.00 34.50 32.50 1x5h s PRO 42 CO 0.45 -2.85 1.18 0.00 0.04 0.00 0.00 177.00 175.83 1x5h n ALA 43 N -4.25 0.40 -0.05 8.56 0.00 -1.26 -4.91 120.51 119.01 1x5h n ALA 43 Ca 0.05 -0.16 -0.13 0.00 0.00 0.00 0.00 53.44 53.20 1x5h n ALA 43 Cb 0.58 -2.25 -0.07 0.00 0.00 0.00 0.00 19.45 17.70 1x5h n ALA 43 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1x5h h PRO 44 N -0.17 0.32 -0.62 0.00 0.13 -1.94 -2.79 132.00 126.94 1x5h h PRO 44 Ca -0.48 -0.17 0.12 0.00 -0.87 0.00 0.00 66.00 64.60 1x5h h PRO 44 Cb 1.32 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 32.34 1x5h h PRO 44 CO 0.49 0.72 -0.18 0.00 -0.23 0.00 0.00 178.00 178.80 1x5h h ALA 45 N 0.60 0.36 -0.29 -0.56 0.00 -1.92 -1.00 119.26 116.45 1x5h h ALA 45 Ca 0.02 0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1x5h h ALA 45 Cb 0.66 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1x5h h ALA 45 CO 0.03 -0.45 0.09 1.79 0.00 0.00 0.00 179.25 180.71 1x5h h THR 46 N -0.02 1.20 -1.37 0.00 1.35 -1.85 -3.42 112.91 108.79 1x5h h THR 46 Ca 0.29 -0.66 -0.77 0.00 -0.55 0.00 0.00 66.41 64.72 1x5h h THR 46 Cb 0.47 1.09 0.02 0.00 -1.73 0.00 0.00 68.15 68.01 1x5h h THR 46 CO -0.65 0.22 0.72 0.00 -0.25 0.00 0.00 175.52 175.56 1x5h n GLN 47 N -4.70 0.75 -1.28 4.72 6.02 -0.38 -4.60 117.38 117.91 1x5h n GLN 47 Ca -0.02 0.27 -0.29 0.00 -0.01 0.00 0.00 57.00 56.95 1x5h n GLN 47 Cb 0.17 -1.89 0.13 0.00 1.02 0.00 0.00 30.24 29.67 1x5h n GLN 47 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1x5h n ASN 48 N 4.33 5.70 0.00 1.08 3.02 -1.26 -4.97 115.26 123.16 1x5h n ASN 48 Ca 0.26 -3.71 0.00 0.00 -0.03 0.00 0.00 54.58 51.11 1x5h n ASN 48 Cb 0.08 -0.90 0.00 0.00 -0.61 0.00 0.00 39.78 38.36 1x5h n ASN 48 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x5h n GLY 49 N -1.03 -0.35 3.21 7.41 0.00 -1.26 -4.89 105.19 108.28 1x5h n GLY 49 Ca 0.61 -0.50 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 1x5h n GLY 49 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1x5h s GLN 50 N -1.61 1.74 -0.04 1.61 0.74 -1.26 -5.12 119.66 115.73 1x5h s GLN 50 Ca 0.00 -0.72 -0.30 0.00 0.05 0.00 0.00 55.36 54.39 1x5h s GLN 50 Cb 0.00 -1.64 -0.03 0.00 1.10 0.00 0.00 33.01 32.45 1x5h s GLN 50 CO 0.00 0.40 1.05 0.42 -0.55 0.00 0.00 175.29 176.62 1x5h s ILE 51 N -0.37 4.63 -0.20 -2.34 1.01 -1.26 -4.45 121.20 118.22 1x5h s ILE 51 Ca 0.05 1.90 0.03 0.00 0.00 0.00 0.00 60.65 62.64 1x5h s ILE 51 Cb -0.09 -4.22 -0.14 0.00 0.01 0.00 0.00 42.46 38.02 1x5h s ILE 51 CO 0.00 0.08 -0.15 0.35 0.00 0.00 0.00 174.94 175.22 1x5h n THR 52 N 4.23 1.17 -3.79 2.92 -2.24 0.09 -4.75 114.28 111.91 1x5h n THR 52 Ca 0.08 -0.48 -0.04 0.00 -2.27 0.00 0.00 64.05 61.33 1x5h n THR 52 Cb 0.49 -1.14 -0.01 0.00 -2.10 0.00 0.00 70.33 67.57 1x5h n THR 52 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1x5h s GLY 53 N -5.86 -0.16 0.01 3.38 0.00 -1.18 -1.98 107.32 101.53 1x5h s GLY 53 Ca -0.25 -0.03 0.08 0.00 0.00 0.00 0.00 44.72 44.52 1x5h s GLY 53 CO 0.50 0.07 -0.23 -0.19 0.00 0.00 0.00 173.10 173.25 1x5h s TYR 54 N -3.36 2.07 -0.47 1.90 2.02 -1.21 0.96 117.35 119.26 1x5h s TYR 54 Ca 0.13 -0.39 -0.10 0.00 -0.37 0.00 0.00 57.07 56.33 1x5h s TYR 54 Cb -0.03 -1.29 0.11 0.00 -0.40 0.00 0.00 41.96 40.36 1x5h s TYR 54 CO 0.04 0.03 0.35 0.21 -1.57 0.00 0.00 175.55 174.61 1x5h s LYS 55 N -0.85 2.57 -0.38 -0.62 2.20 0.10 -2.25 119.74 120.52 1x5h s LYS 55 Ca 0.09 -1.70 -0.16 0.00 -0.36 0.00 0.00 55.97 53.84 1x5h s LYS 55 Cb -0.09 -3.95 0.00 0.00 -1.51 0.00 0.00 37.83 32.28 1x5h s LYS 55 CO 0.00 -1.17 0.40 0.42 -0.36 0.00 0.00 175.35 174.65 1x5h s ILE 56 N 1.41 5.12 -0.06 5.43 1.01 0.33 -2.39 121.20 132.06 1x5h s ILE 56 Ca 0.05 -0.10 0.03 0.00 0.00 0.00 0.00 60.65 60.63 1x5h s ILE 56 Cb -0.26 -3.93 -0.02 0.00 0.01 0.00 0.00 42.46 38.26 1x5h s ILE 56 CO 0.00 -0.24 -0.16 -0.13 0.00 0.00 0.00 174.94 174.41 1x5h s ARG 57 N 2.09 2.64 -0.00 2.79 0.52 -0.86 -0.10 118.95 126.03 1x5h s ARG 57 Ca 0.12 -0.73 0.02 0.00 -0.52 0.00 0.00 55.73 54.62 1x5h s ARG 57 Cb -0.17 -2.38 -0.01 0.00 0.52 0.00 0.00 34.95 32.91 1x5h s ARG 57 CO 0.13 0.53 -0.06 1.52 0.02 0.00 0.00 175.30 177.43 1x5h s TYR 58 N -0.48 0.54 0.42 -0.53 1.13 -1.05 -1.51 117.35 115.86 1x5h s TYR 58 Ca 0.06 -0.12 0.04 0.00 -1.41 0.00 0.00 57.07 55.64 1x5h s TYR 58 Cb -0.12 -0.34 -0.02 0.00 -1.10 0.00 0.00 41.96 40.38 1x5h s TYR 58 CO 0.02 -0.01 0.11 -0.98 -2.51 0.00 0.00 175.55 172.18 1x5h s ARG 59 N -0.21 1.96 -0.14 -3.49 1.70 -1.05 -2.09 118.95 115.63 1x5h s ARG 59 Ca 0.02 -2.20 -0.07 0.00 -0.47 0.00 0.00 55.73 53.00 1x5h s ARG 59 Cb -0.03 -0.72 -0.04 0.00 -0.57 0.00 0.00 34.95 33.59 1x5h s ARG 59 CO -0.00 -0.46 0.13 0.15 -1.08 0.00 0.00 175.30 174.04 1x5h s LYS 60 N -3.73 3.58 0.22 3.89 1.02 -1.23 -2.02 119.74 121.47 1x5h s LYS 60 Ca 0.22 -0.16 -0.08 0.00 0.02 0.00 0.00 55.97 55.97 1x5h s LYS 60 Cb 0.03 -3.22 0.35 0.00 -0.52 0.00 0.00 37.83 34.46 1x5h s LYS 60 CO 0.13 0.68 1.71 0.00 -0.92 0.00 0.00 175.35 176.95 1x5h h ALA 61 N 5.34 0.83 0.00 5.17 0.00 -1.95 0.55 119.26 129.20 1x5h h ALA 61 Ca -0.52 0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.41 1x5h h ALA 61 Cb 1.21 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 1x5h h ALA 61 CO 0.62 -0.27 -0.67 1.03 0.00 0.00 0.00 179.25 179.96 1x5h h SER 62 N 0.33 0.00 -1.19 0.00 0.87 -1.94 -3.37 113.55 108.25 1x5h h SER 62 Ca 0.35 -0.51 -0.55 0.00 -1.23 0.00 0.00 61.79 59.85 1x5h h SER 62 Cb 0.51 0.00 -0.20 0.00 -0.44 0.00 0.00 62.40 62.27 1x5h h SER 62 CO -0.40 1.14 0.59 -1.14 -0.53 0.00 0.00 176.83 176.49 1x5h n ARG 63 N -4.55 2.42 -0.33 2.24 3.00 -1.18 -4.72 116.66 113.54 1x5h n ARG 63 Ca -0.19 -2.58 0.27 0.00 -0.00 0.00 0.00 57.85 55.35 1x5h n ARG 63 Cb 0.49 -2.11 0.51 0.00 0.00 0.00 0.00 32.46 31.36 1x5h n ARG 63 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 1x5h h LYS 64 N 2.69 0.10 -0.87 -0.14 1.57 -0.06 0.54 116.57 120.40 1x5h h LYS 64 Ca 0.44 -0.01 0.22 0.00 -1.87 0.00 0.00 60.65 59.43 1x5h h LYS 64 Cb 0.60 -0.02 -0.13 0.00 0.08 0.00 0.00 32.23 32.75 1x5h h LYS 64 CO 1.05 0.07 0.28 1.03 -0.57 0.00 0.00 179.45 181.31 1x5h h SER 65 N 0.11 0.11 -1.60 0.86 0.87 -1.84 -3.32 113.55 108.74 1x5h h SER 65 Ca 0.78 0.18 -0.49 0.00 -1.23 0.00 0.00 61.79 61.02 1x5h h SER 65 Cb 1.93 0.21 -0.07 0.00 -0.44 0.00 0.00 62.40 64.03 1x5h h SER 65 CO -0.73 -0.09 1.18 -0.62 -0.53 0.00 0.00 176.83 176.03 1x5h s ASP 66 N -5.13 5.83 -0.01 6.23 2.15 0.19 -4.96 116.67 120.97 1x5h s ASP 66 Ca -0.12 -0.57 0.05 0.00 0.43 0.00 0.00 52.55 52.34 1x5h s ASP 66 Cb 0.25 -2.56 -0.01 0.00 -0.30 0.00 0.00 42.92 40.30 1x5h s ASP 66 CO 0.77 -2.07 -0.17 0.54 -0.17 0.00 0.00 175.17 174.07 1x5h s VAL 67 N 7.24 1.33 0.05 1.11 0.11 -1.25 -3.54 120.40 125.45 1x5h s VAL 67 Ca 0.53 -0.72 0.06 0.00 -2.93 0.00 0.00 61.98 58.92 1x5h s VAL 67 Cb -0.07 -1.11 -0.04 0.00 -1.53 0.00 0.00 36.38 33.64 1x5h s VAL 67 CO 0.07 0.38 -0.12 -0.89 -3.33 0.00 0.00 175.10 171.20 1x5h s THR 68 N -0.37 3.24 -0.16 5.04 2.01 -0.89 -4.98 115.64 119.53 1x5h s THR 68 Ca 0.06 -1.09 -0.06 0.00 0.31 0.00 0.00 61.69 60.91 1x5h s THR 68 Cb -0.07 -2.43 -0.04 0.00 0.01 0.00 0.00 72.50 69.97 1x5h s THR 68 CO -0.01 0.28 0.04 -0.70 -0.69 0.00 0.00 174.62 173.55 1x5h s GLU 69 N -1.69 3.79 0.02 4.92 2.12 -1.26 -2.53 118.70 124.08 1x5h s GLU 69 Ca 0.18 -0.36 0.09 0.00 0.36 0.00 0.00 54.97 55.23 1x5h s GLU 69 Cb -0.11 -3.12 -0.03 0.00 0.26 0.00 0.00 34.13 31.14 1x5h s GLU 69 CO 0.09 0.35 -0.26 0.99 -0.54 0.00 0.00 175.26 175.88 1x5h s THR 70 N 0.14 2.09 -0.05 -1.70 2.01 0.86 -4.99 115.64 114.00 1x5h s THR 70 Ca 0.04 -1.28 0.05 0.00 0.31 0.00 0.00 61.69 60.81 1x5h s THR 70 Cb -0.12 -1.77 -0.01 0.00 0.01 0.00 0.00 72.50 70.61 1x5h s THR 70 CO 0.01 0.44 -0.22 -0.22 -0.69 0.00 0.00 174.62 173.95 1x5h s LEU 71 N -1.00 2.01 0.44 4.42 1.98 -1.26 -0.51 118.68 124.76 1x5h s LEU 71 Ca 0.11 -0.44 0.03 0.00 -2.89 0.00 0.00 54.13 50.94 1x5h s LEU 71 Cb -0.10 -1.20 -0.02 0.00 0.66 0.00 0.00 46.19 45.53 1x5h s LEU 71 CO 0.01 0.21 0.11 0.68 -1.89 0.00 0.00 176.35 175.47 1x5h s VAL 72 N -0.09 0.67 0.74 1.68 -7.23 -0.95 -5.00 120.40 110.22 1x5h s VAL 72 Ca -0.03 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.03 1x5h s VAL 72 Cb -0.13 -2.27 0.05 0.00 0.56 0.00 0.00 36.38 34.59 1x5h s VAL 72 CO 0.03 0.00 1.11 -0.44 -0.31 0.00 0.00 175.10 175.49 1x5h s SER 73 N -3.68 4.99 -0.02 4.85 0.01 -1.26 -3.34 113.70 115.25 1x5h s SER 73 Ca 0.19 0.89 -0.21 0.00 1.31 0.00 0.00 55.95 58.13 1x5h s SER 73 Cb 0.02 -1.56 -0.13 0.00 0.21 0.00 0.00 66.02 64.56 1x5h s SER 73 CO 0.12 -1.59 0.93 1.23 0.41 0.00 0.00 173.24 174.34 1x5h h GLY 74 N -0.79 -0.55 2.00 3.44 0.00 -1.69 -3.18 103.07 102.29 1x5h h GLY 74 Ca -0.45 0.21 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 1x5h h GLY 74 CO 0.64 -0.20 -0.02 0.00 0.00 0.00 0.00 176.54 176.97 1x5h h THR 75 N -1.01 0.49 -2.83 4.70 1.03 -1.88 -3.41 112.91 110.00 1x5h h THR 75 Ca -0.05 -0.07 -0.57 0.00 -0.01 0.00 0.00 66.41 65.71 1x5h h THR 75 Cb 0.53 1.05 -0.03 0.00 -1.07 0.00 0.00 68.15 68.63 1x5h h THR 75 CO 0.09 0.02 1.12 -1.58 -0.01 0.00 0.00 175.52 175.15 1x5h s GLN 76 N -4.53 3.76 -0.35 0.00 0.74 -1.20 -4.87 119.66 113.21 1x5h s GLN 76 Ca -0.05 1.56 0.08 0.00 0.05 0.00 0.00 55.36 57.00 1x5h s GLN 76 Cb 0.15 -4.03 0.63 0.00 1.10 0.00 0.00 33.01 30.85 1x5h s GLN 76 CO 0.54 -1.34 1.71 1.28 -0.55 0.00 0.00 175.29 176.93 1x5h n LEU 77 N 8.53 5.51 -3.53 3.68 4.77 -1.26 -4.69 117.00 130.01 1x5h n LEU 77 Ca 0.19 -3.52 -0.13 0.00 -0.03 0.00 0.00 56.01 52.52 1x5h n LEU 77 Cb 0.46 -0.73 -0.05 0.00 -2.33 0.00 0.00 43.42 40.77 1x5h n LEU 77 CO 0.65 1.02 0.60 -0.44 -1.33 0.00 0.00 177.39 177.89 1x5h s SER 78 N -1.69 -0.50 0.08 -1.43 0.01 -1.26 -2.14 113.70 106.78 1x5h s SER 78 Ca 0.51 0.42 -0.05 0.00 1.31 0.00 0.00 55.95 58.14 1x5h s SER 78 Cb 0.44 0.44 -0.02 0.00 0.21 0.00 0.00 66.02 67.08 1x5h s SER 78 CO 0.08 -0.55 0.10 -1.58 0.41 0.00 0.00 173.24 171.70 1x5h s GLN 79 N -1.73 0.79 -0.27 12.44 2.00 -0.77 -4.97 119.66 127.14 1x5h s GLN 79 Ca -0.04 -1.11 0.03 0.00 -2.00 0.00 0.00 55.36 52.24 1x5h s GLN 79 Cb -0.00 0.29 0.07 0.00 0.80 0.00 0.00 33.01 34.16 1x5h s GLN 79 CO 0.02 -0.22 -0.07 -1.17 -0.50 0.00 0.00 175.29 173.34 1x5h s LEU 80 N -2.91 3.59 -0.59 3.68 2.96 -1.26 -0.57 118.68 123.58 1x5h s LEU 80 Ca 0.08 -1.52 -0.18 0.00 -0.22 0.00 0.00 54.13 52.29 1x5h s LEU 80 Cb 0.06 -1.52 0.11 0.00 0.50 0.00 0.00 46.19 45.34 1x5h s LEU 80 CO -0.09 -0.23 0.67 -0.63 -1.32 0.00 0.00 176.35 174.76 1x5h s ILE 81 N 1.10 4.88 0.37 6.68 -1.09 -0.77 -4.94 121.20 127.43 1x5h s ILE 81 Ca -0.05 -1.08 0.05 0.00 -2.23 0.00 0.00 60.65 57.34 1x5h s ILE 81 Cb -0.20 -4.47 -0.01 0.00 -1.58 0.00 0.00 42.46 36.21 1x5h s ILE 81 CO -0.06 -1.09 0.53 -1.61 -1.23 0.00 0.00 174.94 171.48 1x5h s GLU 82 N 2.52 3.09 0.00 2.79 2.02 -1.26 -0.59 118.70 127.26 1x5h s GLU 82 Ca 0.10 -0.86 0.00 0.00 0.02 0.00 0.00 54.97 54.23 1x5h s GLU 82 Cb -0.25 -2.74 0.00 0.00 0.10 0.00 0.00 34.13 31.24 1x5h s GLU 82 CO 0.06 -0.05 0.00 0.41 0.02 0.00 0.00 175.26 175.69 1x5h n GLY 83 N -1.78 0.50 3.14 -1.39 0.00 -0.54 -4.93 105.19 100.19 1x5h n GLY 83 Ca 0.01 -0.26 -0.28 0.00 0.00 0.00 0.00 46.02 45.48 1x5h n GLY 83 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x5h n LEU 84 N -0.51 0.00 -4.48 0.99 4.77 0.48 -5.00 117.00 113.24 1x5h n LEU 84 Ca 0.00 -2.76 -0.30 0.00 -0.03 0.00 0.00 56.01 52.92 1x5h n LEU 84 Cb 0.27 0.32 -0.12 0.00 -2.33 0.00 0.00 43.42 41.56 1x5h n LEU 84 CO 0.00 -0.39 -0.48 -1.81 -1.33 0.00 0.00 177.39 173.38 1x5h s ASP 85 N -3.41 3.92 0.76 -1.43 1.01 -1.26 -4.38 116.67 111.88 1x5h s ASP 85 Ca 0.01 -0.45 -0.11 0.00 0.71 0.00 0.00 52.55 52.70 1x5h s ASP 85 Cb 0.00 -0.63 0.05 0.00 1.01 0.00 0.00 42.92 43.34 1x5h s ASP 85 CO 0.00 0.23 1.08 0.00 0.21 0.00 0.00 175.17 176.69 1x5h s ARG 86 N -1.72 2.39 -1.52 8.23 1.70 -1.19 -3.88 118.95 122.96 1x5h s ARG 86 Ca 0.16 0.87 -0.01 0.00 -0.47 0.00 0.00 55.73 56.28 1x5h s ARG 86 Cb -0.11 -1.93 0.01 0.00 -0.57 0.00 0.00 34.95 32.35 1x5h s ARG 86 CO 0.08 -1.46 0.18 0.41 -1.08 0.00 0.00 175.30 173.42 1x5h n GLY 87 N -1.82 -0.17 3.03 3.88 0.00 -1.25 -4.89 105.19 103.96 1x5h n GLY 87 Ca 0.08 0.16 -0.13 0.00 0.00 0.00 0.00 46.02 46.13 1x5h n GLY 87 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x5h s THR 88 N -4.18 -0.16 0.38 2.61 2.01 -1.25 -4.97 115.64 110.08 1x5h s THR 88 Ca 0.05 0.20 -0.26 0.00 0.31 0.00 0.00 61.69 61.99 1x5h s THR 88 Cb -0.03 -0.39 -0.09 0.00 0.01 0.00 0.00 72.50 72.00 1x5h s THR 88 CO 0.96 0.08 1.19 -0.70 -0.69 0.00 0.00 174.62 175.47 1x5h s GLU 89 N 1.65 4.14 -0.05 4.92 2.12 -1.26 -3.30 118.70 126.93 1x5h s GLU 89 Ca -0.06 1.92 -0.04 0.00 0.36 0.00 0.00 54.97 57.16 1x5h s GLU 89 Cb -0.11 -2.79 0.02 0.00 0.26 0.00 0.00 34.13 31.51 1x5h s GLU 89 CO -0.08 -0.27 0.11 0.71 -0.54 0.00 0.00 175.26 175.20 1x5h s TYR 90 N -1.34 -0.12 0.18 5.30 2.02 -0.01 -3.71 117.35 119.66 1x5h s TYR 90 Ca 0.55 0.33 -0.02 0.00 -0.37 0.00 0.00 57.07 57.55 1x5h s TYR 90 Cb -0.33 0.01 -0.05 0.00 -0.40 0.00 0.00 41.96 41.20 1x5h s TYR 90 CO 0.42 -0.08 0.38 -0.80 -1.57 0.00 0.00 175.55 173.90 1x5h s ASN 91 N 0.30 6.41 0.00 2.29 -0.87 -0.86 0.39 114.94 122.61 1x5h s ASN 91 Ca -0.02 0.45 -0.13 0.00 -1.57 0.00 0.00 52.86 51.59 1x5h s ASN 91 Cb -0.03 -2.03 0.02 0.00 -0.02 0.00 0.00 41.25 39.18 1x5h s ASN 91 CO -0.01 -0.01 0.27 -0.36 -2.57 0.00 0.00 177.10 174.42 1x5h s PHE 92 N -1.80 -0.12 -0.18 2.20 0.40 -0.46 -2.54 117.98 115.48 1x5h s PHE 92 Ca 0.39 0.11 -0.08 0.00 -0.60 0.00 0.00 56.93 56.75 1x5h s PHE 92 Cb -0.11 0.06 0.07 0.00 0.51 0.00 0.00 43.02 43.55 1x5h s PHE 92 CO 0.28 -0.40 0.41 -0.98 0.70 0.00 0.00 175.22 175.23 1x5h s ARG 93 N -1.65 0.37 -0.18 0.44 1.70 -0.57 -2.08 118.95 116.98 1x5h s ARG 93 Ca -0.12 0.87 -0.08 0.00 -0.47 0.00 0.00 55.73 55.94 1x5h s ARG 93 Cb -0.04 0.09 -0.04 0.00 -0.57 0.00 0.00 34.95 34.38 1x5h s ARG 93 CO 0.02 -0.19 0.08 0.08 -1.08 0.00 0.00 175.30 174.20 1x5h s VAL 94 N 1.82 4.92 0.06 4.99 1.01 -1.26 -2.04 120.40 129.90 1x5h s VAL 94 Ca -0.07 0.01 0.05 0.00 0.00 0.00 0.00 61.98 61.98 1x5h s VAL 94 Cb -0.10 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 1x5h s VAL 94 CO -0.13 0.46 -0.15 0.00 0.00 0.00 0.00 175.10 175.28 1x5h s ALA 95 N 0.33 1.25 0.26 5.51 0.00 -1.00 -1.67 121.76 126.44 1x5h s ALA 95 Ca 0.04 -0.96 -0.09 0.00 0.00 0.00 0.00 51.96 50.96 1x5h s ALA 95 Cb -0.12 -0.15 -0.07 0.00 0.00 0.00 0.00 23.12 22.78 1x5h s ALA 95 CO -0.00 0.21 0.58 0.00 0.00 0.00 0.00 175.76 176.55 1x5h s ALA 96 N -1.08 3.55 -0.01 0.00 0.00 -1.15 0.03 121.76 123.09 1x5h s ALA 96 Ca 0.00 -0.32 0.05 0.00 0.00 0.00 0.00 51.96 51.69 1x5h s ALA 96 Cb -0.09 -2.44 -0.01 0.00 0.00 0.00 0.00 23.12 20.57 1x5h s ALA 96 CO 0.02 0.39 -0.15 -0.51 0.00 0.00 0.00 175.76 175.51 1x5h s LEU 97 N -3.09 2.04 0.34 0.00 1.43 0.27 0.28 118.68 119.95 1x5h s LEU 97 Ca 0.47 -0.28 0.06 0.00 -1.03 0.00 0.00 54.13 53.35 1x5h s LEU 97 Cb -0.11 -0.75 -0.02 0.00 0.03 0.00 0.00 46.19 45.34 1x5h s LEU 97 CO 0.24 0.17 0.33 0.42 0.23 0.00 0.00 176.35 177.74 1x5h s THR 98 N -0.37 0.00 0.48 5.49 -4.23 -0.75 -0.73 115.64 115.52 1x5h s THR 98 Ca 0.05 -1.91 0.13 0.00 -1.18 0.00 0.00 61.69 58.78 1x5h s THR 98 Cb -0.06 -2.54 0.26 0.00 1.34 0.00 0.00 72.50 71.50 1x5h s THR 98 CO -0.00 0.00 2.11 -0.29 -0.54 0.00 0.00 174.62 175.89 1x5h h ILE 99 N 2.11 1.04 0.00 2.99 2.10 -1.98 -0.23 117.51 123.54 1x5h h ILE 99 Ca -0.25 -0.11 0.00 0.00 1.08 0.00 0.00 64.86 65.58 1x5h h ILE 99 Cb 1.23 0.86 0.00 0.00 -1.09 0.00 0.00 36.82 37.82 1x5h h ILE 99 CO 0.36 0.05 0.00 0.78 -1.08 0.00 0.00 178.15 178.26 1x5h h ASN 100 N 0.19 0.00 0.00 2.19 -0.26 -1.95 -3.48 115.58 112.27 1x5h h ASN 100 Ca 0.05 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.79 1x5h h ASN 100 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 1x5h h ASN 100 CO -0.01 0.00 0.00 0.61 -1.06 0.00 0.00 177.43 176.97 1x5h n GLY 101 N -0.30 0.61 3.83 2.83 0.00 -0.10 -4.58 105.19 107.47 1x5h n GLY 101 Ca -0.00 -0.81 -0.22 0.00 0.00 0.00 0.00 46.02 44.99 1x5h n GLY 101 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x5h s THR 102 N 0.00 3.34 0.19 2.61 -4.23 -1.26 -1.81 115.64 114.48 1x5h s THR 102 Ca 0.00 -1.44 0.01 0.00 -1.18 0.00 0.00 61.69 59.08 1x5h s THR 102 Cb 0.00 -3.13 -0.00 0.00 1.34 0.00 0.00 72.50 70.71 1x5h s THR 102 CO 0.00 -0.16 0.03 0.61 -0.54 0.00 0.00 174.62 174.56 1x5h n GLY 103 N -1.34 3.86 3.76 3.99 0.00 0.14 -4.23 105.19 111.37 1x5h n GLY 103 Ca -0.02 -2.15 -0.31 0.00 0.00 0.00 0.00 46.02 43.54 1x5h n GLY 103 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5h s PRO 104 N -2.70 2.14 0.52 1.61 0.04 -1.26 -4.54 135.00 130.83 1x5h s PRO 104 Ca 0.04 1.13 0.03 0.00 0.04 0.00 0.00 61.00 62.24 1x5h s PRO 104 Cb 0.00 -1.89 0.03 0.00 0.04 0.00 0.00 34.50 32.68 1x5h s PRO 104 CO 0.03 -1.71 0.23 0.00 0.04 0.00 0.00 177.00 175.58 1x5h n ALA 105 N -3.57 0.66 -2.82 8.56 0.00 -1.26 -2.95 120.51 119.13 1x5h n ALA 105 Ca 0.09 -2.21 -0.35 0.00 0.00 0.00 0.00 53.44 50.97 1x5h n ALA 105 Cb 0.53 1.05 -0.10 0.00 0.00 0.00 0.00 19.45 20.93 1x5h n ALA 105 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1x5h s THR 106 N -2.74 4.63 0.01 0.00 -4.23 -0.67 -4.84 115.64 107.79 1x5h s THR 106 Ca 0.17 -0.10 -0.24 0.00 -1.18 0.00 0.00 61.69 60.35 1x5h s THR 106 Cb -0.01 -3.04 -0.12 0.00 1.34 0.00 0.00 72.50 70.66 1x5h s THR 106 CO 0.11 0.51 0.62 -0.90 -0.54 0.00 0.00 174.62 174.42 1x5h n ASP 107 N 3.10 -0.05 -4.52 3.99 5.68 -1.26 -4.45 116.55 119.03 1x5h n ASP 107 Ca -0.17 0.70 -0.35 0.00 -0.50 0.00 0.00 54.79 54.46 1x5h n ASP 107 Cb 0.53 -0.55 -0.12 0.00 -1.14 0.00 0.00 41.12 39.84 1x5h n ASP 107 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1x5h n TRP 108 N 0.84 0.80 -3.37 2.11 7.02 -1.26 -4.84 117.44 118.74 1x5h n TRP 108 Ca 0.12 0.23 -0.41 0.00 -1.02 0.00 0.00 57.50 56.42 1x5h n TRP 108 Cb 0.05 -2.25 -0.09 0.00 -2.42 0.00 0.00 31.31 26.60 1x5h n TRP 108 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 1x5h s LEU 109 N 9.33 4.34 0.31 -0.99 2.96 -0.88 -4.87 118.68 128.88 1x5h s LEU 109 Ca 1.21 -0.09 -0.11 0.00 -0.22 0.00 0.00 54.13 54.92 1x5h s LEU 109 Cb -0.81 -2.40 -0.07 0.00 0.50 0.00 0.00 46.19 43.41 1x5h s LEU 109 CO 0.40 -0.34 0.67 -0.94 -1.32 0.00 0.00 176.35 174.83 1x5h s SER 110 N 1.72 6.63 -0.13 3.68 1.04 -1.26 -1.35 113.70 124.03 1x5h s SER 110 Ca 0.14 1.07 -0.07 0.00 0.48 0.00 0.00 55.95 57.57 1x5h s SER 110 Cb -0.16 -2.29 0.05 0.00 0.10 0.00 0.00 66.02 63.72 1x5h s SER 110 CO 0.12 -0.21 0.31 0.00 0.98 0.00 0.00 173.24 174.43 1x5h s ALA 111 N -2.05 -0.74 -0.28 5.32 0.00 0.16 -4.92 121.76 119.26 1x5h s ALA 111 Ca 0.50 1.18 -0.13 0.00 0.00 0.00 0.00 51.96 53.52 1x5h s ALA 111 Cb -0.11 -0.73 -0.04 0.00 0.00 0.00 0.00 23.12 22.24 1x5h s ALA 111 CO 0.23 -0.22 0.27 -2.00 0.00 0.00 0.00 175.76 174.04 1x5h s GLU 112 N 1.27 3.94 1.06 0.00 2.12 -1.26 -0.83 118.70 124.99 1x5h s GLU 112 Ca -0.09 -0.20 -0.12 0.00 0.36 0.00 0.00 54.97 54.91 1x5h s GLU 112 Cb -0.09 -3.67 0.22 0.00 0.26 0.00 0.00 34.13 30.85 1x5h s GLU 112 CO -0.10 -0.24 1.07 0.95 -0.54 0.00 0.00 175.26 176.39 1x5h s THR 113 N 1.89 2.13 -0.35 -1.70 -4.23 -1.21 -4.91 115.64 107.26 1x5h s THR 113 Ca 0.10 0.04 -0.29 0.00 -1.18 0.00 0.00 61.69 60.37 1x5h s THR 113 Cb -0.16 -2.30 0.00 0.00 1.34 0.00 0.00 72.50 71.39 1x5h s THR 113 CO 0.11 -0.06 1.43 -0.36 -0.54 0.00 0.00 174.62 175.20 1x5h s PHE 114 N -2.70 2.41 0.62 3.99 0.08 -1.26 -3.75 117.98 117.37 1x5h s PHE 114 Ca 0.67 0.71 0.24 0.00 0.12 0.00 0.00 56.93 58.68 1x5h s PHE 114 Cb -0.22 -4.13 1.07 0.00 -0.57 0.00 0.00 43.02 39.16 1x5h s PHE 114 CO 0.61 -2.08 1.52 1.49 -0.10 0.00 0.00 175.22 176.67 1x5h h GLU 115 N 10.40 0.00 -2.54 0.44 4.22 -1.91 -3.34 114.58 121.85 1x5h h GLU 115 Ca -0.28 0.00 -0.09 0.00 0.08 0.00 0.00 59.36 59.06 1x5h h GLU 115 Cb 1.11 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 30.11 1x5h h GLU 115 CO 1.06 0.00 -0.22 0.45 -2.18 0.00 0.00 179.01 178.11 1x5h s SER 116 N -4.06 -0.57 -0.84 1.04 0.15 -1.26 -4.50 113.70 103.65 1x5h s SER 116 Ca -0.03 0.99 -0.20 0.00 0.70 0.00 0.00 55.95 57.42 1x5h s SER 116 Cb 0.12 0.90 -0.20 0.00 -1.71 0.00 0.00 66.02 65.13 1x5h s SER 116 CO 0.42 -0.19 2.25 -0.90 1.20 0.00 0.00 173.24 176.01 1x5h n ASP 117 N 3.93 0.62 -4.06 5.45 5.68 -1.26 -4.85 116.55 122.06 1x5h n ASP 117 Ca -0.21 -1.29 -0.31 0.00 -0.50 0.00 0.00 54.79 52.48 1x5h n ASP 117 Cb 0.56 -1.29 -0.16 0.00 -1.14 0.00 0.00 41.12 39.09 1x5h n ASP 117 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1x5h s LEU 118 N 10.02 2.24 -0.35 -2.12 1.43 -1.26 -5.09 118.68 123.55 1x5h s LEU 118 Ca 1.00 -0.77 -0.29 0.00 -1.03 0.00 0.00 54.13 53.04 1x5h s LEU 118 Cb -0.33 -1.35 -0.00 0.00 0.03 0.00 0.00 46.19 44.53 1x5h s LEU 118 CO 0.23 -0.08 1.54 -0.62 0.23 0.00 0.00 176.35 177.65 1x5h s ASP 119 N 1.34 6.24 -0.02 2.29 2.15 -1.26 -5.00 116.67 122.42 1x5h s ASP 119 Ca 0.02 1.10 0.03 0.00 0.43 0.00 0.00 52.55 54.12 1x5h s ASP 119 Cb -0.15 -2.53 -0.03 0.00 -0.30 0.00 0.00 42.92 39.91 1x5h s ASP 119 CO -0.10 -1.46 -0.08 -1.61 -0.17 0.00 0.00 175.17 171.75 1x5h s GLU 120 N 5.04 2.56 -0.31 4.34 2.02 -1.26 -5.10 118.70 125.99 1x5h s GLU 120 Ca 0.67 -0.70 -0.08 0.00 0.02 0.00 0.00 54.97 54.89 1x5h s GLU 120 Cb -0.18 -2.49 0.01 0.00 0.10 0.00 0.00 34.13 31.57 1x5h s GLU 120 CO 0.32 0.61 0.10 0.99 0.02 0.00 0.00 175.26 177.31 1x5h s THR 121 N -0.92 4.11 -0.29 3.63 2.01 -1.26 -5.05 115.64 117.87 1x5h s THR 121 Ca 0.15 -0.69 -0.23 0.00 0.31 0.00 0.00 61.69 61.24 1x5h s THR 121 Cb -0.11 -3.14 0.14 0.00 0.01 0.00 0.00 72.50 69.40 1x5h s THR 121 CO 0.05 0.04 1.07 0.00 -0.69 0.00 0.00 174.62 175.09 1x5h s ARG 122 N 1.52 0.41 -0.10 4.92 1.70 -1.26 -5.17 118.95 120.96 1x5h s ARG 122 Ca 0.03 0.54 -0.07 0.00 -0.47 0.00 0.00 55.73 55.75 1x5h s ARG 122 Cb -0.17 0.17 0.03 0.00 -0.57 0.00 0.00 34.95 34.41 1x5h s ARG 122 CO 0.03 -0.06 0.25 0.08 -1.08 0.00 0.00 175.30 174.53 1x5h s VAL 123 N 0.49 -0.02 0.50 4.99 1.01 -1.26 -5.17 120.40 120.94 1x5h s VAL 123 Ca 0.01 0.06 -0.08 0.00 0.00 0.00 0.00 61.98 61.96 1x5h s VAL 123 Cb -0.05 -0.37 0.12 0.00 0.00 0.00 0.00 36.38 36.09 1x5h s VAL 123 CO -0.10 0.02 0.45 -0.81 0.00 0.00 0.00 175.10 174.66 1x5h n PRO 124 N 3.48 -1.90 -3.32 2.72 -0.04 -1.26 -5.10 135.00 129.59 1x5h n PRO 124 Ca -0.18 -0.71 0.03 0.00 -0.04 0.00 0.00 63.50 62.59 1x5h n PRO 124 Cb 0.56 -0.67 -0.03 0.00 -0.04 0.00 0.00 33.50 33.33 1x5h n PRO 124 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1x5h s GLU 125 N -4.01 0.37 -0.05 0.54 2.12 -1.26 -5.16 118.70 111.25 1x5h s GLU 125 Ca 0.29 0.80 0.04 0.00 0.36 0.00 0.00 54.97 56.46 1x5h s GLU 125 Cb -0.03 0.47 0.00 0.00 0.26 0.00 0.00 34.13 34.83 1x5h s GLU 125 CO 0.22 -0.25 -0.15 0.08 -0.54 0.00 0.00 175.26 174.62 1x5h s VAL 126 N 2.73 1.27 -0.28 3.70 1.01 -1.26 -5.13 120.40 122.45 1x5h s VAL 126 Ca 0.02 -0.61 -0.17 0.00 0.00 0.00 0.00 61.98 61.23 1x5h s VAL 126 Cb -0.10 -1.11 0.08 0.00 0.00 0.00 0.00 36.38 35.25 1x5h s VAL 126 CO -0.17 0.38 0.69 -0.94 0.00 0.00 0.00 175.10 175.06 1x5h s SER 127 N 0.21 -0.93 0.00 3.32 1.04 -1.26 -5.08 113.70 110.99 1x5h s SER 127 Ca -0.06 1.51 0.00 0.00 0.48 0.00 0.00 55.95 57.88 1x5h s SER 127 Cb -0.12 1.39 0.00 0.00 0.10 0.00 0.00 66.02 67.39 1x5h s SER 127 CO 0.02 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.61 1x5h n GLY 128 N 4.21 -0.03 3.17 7.32 0.00 -1.26 -5.17 105.19 113.43 1x5h n GLY 128 Ca -0.20 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.55 1x5h n GLY 128 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5h n PRO 129 N 0.00 -2.95 -3.61 1.61 -0.04 -1.26 -5.10 135.00 123.65 1x5h n PRO 129 Ca 0.00 -1.58 -0.01 0.00 -0.04 0.00 0.00 63.50 61.87 1x5h n PRO 129 Cb 0.00 -1.48 -0.06 0.00 -0.04 0.00 0.00 33.50 31.92 1x5h n PRO 129 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1x5h s SER 130 N -4.17 -0.39 -0.26 3.54 1.04 -1.26 -5.07 113.70 107.12 1x5h s SER 130 Ca 0.64 0.61 -0.15 0.00 0.48 0.00 0.00 55.95 57.53 1x5h s SER 130 Cb -0.06 1.20 -0.14 0.00 0.10 0.00 0.00 66.02 67.12 1x5h s SER 130 CO 0.49 -0.10 -0.23 -0.24 0.98 0.00 0.00 173.24 174.15 1x5h n SER 131 N 3.69 1.94 0.00 7.02 2.88 -1.26 -5.17 113.62 122.72 1x5h n SER 131 Ca -0.17 0.35 0.00 0.00 -1.33 0.00 0.00 58.87 57.72 1x5h n SER 131 Cb 0.57 -0.85 0.00 0.00 -0.75 0.00 0.00 64.21 63.18 1x5h n SER 131 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42