#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 1.02 0.81 1.61 0.01 -1.26 -5.18 113.70 110.71 1x5h s SER 2 Ca 0.00 -1.52 -0.07 0.00 1.31 0.00 0.00 55.95 55.67 1x5h s SER 2 Cb 0.00 0.62 0.15 0.00 0.21 0.00 0.00 66.02 67.00 1x5h s SER 2 CO 0.00 -1.21 1.11 -0.94 0.41 0.00 0.00 173.24 172.61 1x5h s SER 3 N -3.26 3.92 0.00 2.44 1.04 -1.26 -5.12 113.70 111.47 1x5h s SER 3 Ca 0.33 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.67 1x5h s SER 3 Cb 0.01 -0.18 0.00 0.00 0.10 0.00 0.00 66.02 65.94 1x5h s SER 3 CO 0.21 -2.17 0.00 0.61 0.98 0.00 0.00 173.24 172.88 1x5h n GLY 4 N -3.18 5.01 3.31 7.32 0.00 -1.26 -5.11 105.19 111.29 1x5h n GLY 4 Ca 0.15 -1.70 -0.17 0.00 0.00 0.00 0.00 46.02 44.30 1x5h n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5h s SER 5 N 0.93 1.18 1.25 1.61 0.01 -1.26 -5.11 113.70 112.30 1x5h s SER 5 Ca 0.00 -1.61 -0.19 0.00 1.31 0.00 0.00 55.95 55.46 1x5h s SER 5 Cb 0.00 0.54 0.27 0.00 0.21 0.00 0.00 66.02 67.04 1x5h s SER 5 CO 0.00 -1.06 0.62 -1.20 0.41 0.00 0.00 173.24 172.00 1x5h n SER 6 N -1.23 -3.23 0.00 2.44 7.64 -1.26 -4.57 113.62 113.41 1x5h n SER 6 Ca 0.05 -0.52 0.00 0.00 1.01 0.00 0.00 58.87 59.41 1x5h n SER 6 Cb 0.63 -0.97 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 1x5h n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5h n GLY 7 N 1.94 2.45 3.06 0.23 0.00 -1.26 -4.58 105.19 107.03 1x5h n GLY 7 Ca 0.08 0.35 -0.22 0.00 0.00 0.00 0.00 46.02 46.22 1x5h n GLY 7 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1x5h n ASP 8 N 4.15 -2.78 -0.04 1.61 5.68 -1.26 -4.95 116.55 118.96 1x5h n ASP 8 Ca 0.00 -0.26 0.00 0.00 -0.50 0.00 0.00 54.79 54.04 1x5h n ASP 8 Cb 0.00 -0.76 0.01 0.00 -1.14 0.00 0.00 41.12 39.23 1x5h n ASP 8 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 1x5h n VAL 9 N -4.21 0.30 -3.27 2.12 0.31 -1.26 -4.45 118.33 107.86 1x5h n VAL 9 Ca 0.03 -0.65 0.03 0.00 -0.01 0.00 0.00 64.34 63.74 1x5h n VAL 9 Cb 0.44 0.86 -0.03 0.00 -0.91 0.00 0.00 33.84 34.20 1x5h n VAL 9 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x5h s ALA 10 N -0.36 -3.08 -0.25 3.52 0.00 -1.26 -4.75 121.76 115.59 1x5h s ALA 10 Ca 0.01 1.82 -0.02 0.00 0.00 0.00 0.00 51.96 53.77 1x5h s ALA 10 Cb 0.01 -2.24 0.13 0.00 0.00 0.00 0.00 23.12 21.02 1x5h s ALA 10 CO 0.01 -1.07 0.33 0.08 0.00 0.00 0.00 175.76 175.11 1x5h s VAL 11 N 2.42 -0.51 -1.55 0.00 1.01 -1.26 -4.91 120.40 115.60 1x5h s VAL 11 Ca -0.01 -0.17 -0.20 0.00 0.00 0.00 0.00 61.98 61.60 1x5h s VAL 11 Cb -0.05 -0.82 0.20 0.00 0.00 0.00 0.00 36.38 35.70 1x5h s VAL 11 CO -0.16 -0.21 0.49 -2.11 0.00 0.00 0.00 175.10 173.11 1x5h n ARG 12 N 5.34 -0.93 -0.46 2.72 1.85 -1.26 -4.73 116.66 119.20 1x5h n ARG 12 Ca -0.03 0.11 -0.08 0.00 -1.00 0.00 0.00 57.85 56.85 1x5h n ARG 12 Cb 0.49 -4.24 0.05 0.00 -1.05 0.00 0.00 32.46 27.71 1x5h n ARG 12 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 1x5h n THR 13 N -3.58 1.87 0.10 8.89 -1.04 -1.26 -4.43 114.28 114.83 1x5h n THR 13 Ca 0.10 -0.74 -0.04 0.00 -2.04 0.00 0.00 64.05 61.33 1x5h n THR 13 Cb 0.41 -0.99 -0.02 0.00 -1.82 0.00 0.00 70.33 67.91 1x5h n THR 13 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1x5h h LEU 14 N 1.44 -0.24 -6.73 -4.42 3.38 -2.03 -3.47 115.31 103.24 1x5h h LEU 14 Ca 0.19 0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.30 1x5h h LEU 14 Cb 1.40 0.06 -0.23 0.00 0.09 0.00 0.00 40.66 41.98 1x5h h LEU 14 CO 0.37 -0.09 0.12 -0.44 0.09 0.00 0.00 178.44 178.49 1x5h s SER 15 N -3.27 -0.76 0.12 -0.43 0.01 -1.26 -5.06 113.70 103.05 1x5h s SER 15 Ca -0.04 1.07 -0.24 0.00 1.31 0.00 0.00 55.95 58.05 1x5h s SER 15 Cb 0.00 1.79 -0.04 0.00 0.21 0.00 0.00 66.02 67.98 1x5h s SER 15 CO 0.12 -0.15 1.66 0.44 0.41 0.00 0.00 173.24 175.72 1x5h h ASP 16 N 7.48 -0.54 -1.80 2.44 3.32 -1.92 -3.44 116.42 121.96 1x5h h ASP 16 Ca -0.18 0.08 -0.52 0.00 0.02 0.00 0.00 57.03 56.43 1x5h h ASP 16 Cb 1.12 0.24 0.18 0.00 0.22 0.00 0.00 39.33 41.09 1x5h h ASP 16 CO 0.10 -0.24 -1.31 1.33 -1.72 0.00 0.00 179.24 177.40 1x5h n VAL 17 N -5.32 0.00 -1.21 -1.35 0.24 -1.26 -4.90 118.33 104.53 1x5h n VAL 17 Ca -0.04 -0.45 -0.30 0.00 -2.04 0.00 0.00 64.34 61.51 1x5h n VAL 17 Cb 0.23 0.00 0.13 0.00 -1.47 0.00 0.00 33.84 32.73 1x5h n VAL 17 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1x5h s PRO 18 N -1.28 1.41 -0.06 7.34 0.04 -1.26 -5.00 135.00 136.19 1x5h s PRO 18 Ca 0.45 0.87 0.09 0.00 0.04 0.00 0.00 61.00 62.45 1x5h s PRO 18 Cb -0.33 -1.82 0.14 0.00 0.04 0.00 0.00 34.50 32.53 1x5h s PRO 18 CO 0.66 -2.15 1.07 0.45 0.04 0.00 0.00 177.00 177.07 1x5h n SER 19 N -3.83 1.04 -4.49 6.66 2.88 -1.26 -4.26 113.62 110.36 1x5h n SER 19 Ca 0.07 -2.50 -0.34 0.00 -1.33 0.00 0.00 58.87 54.78 1x5h n SER 19 Cb 0.55 -0.31 -0.12 0.00 -0.75 0.00 0.00 64.21 63.58 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 -1.27 2.97 0.28 -1.46 0.00 -1.26 -4.87 121.76 116.15 1x5h s ALA 20 Ca 0.15 -0.82 0.08 0.00 0.00 0.00 0.00 51.96 51.36 1x5h s ALA 20 Cb 0.13 -1.52 -0.04 0.00 0.00 0.00 0.00 23.12 21.70 1x5h s ALA 20 CO 0.01 0.23 0.18 0.00 0.00 0.00 0.00 175.76 176.18 1x5h s ALA 21 N 0.32 3.56 0.17 0.00 0.00 -1.26 -4.43 121.76 120.13 1x5h s ALA 21 Ca -0.04 -1.55 -0.30 0.00 0.00 0.00 0.00 51.96 50.06 1x5h s ALA 21 Cb -0.14 -1.12 -0.08 0.00 0.00 0.00 0.00 23.12 21.77 1x5h s ALA 21 CO 0.03 0.18 1.32 -1.25 0.00 0.00 0.00 175.76 176.04 1x5h s PRO 22 N -3.85 4.38 0.53 0.00 0.04 -1.26 -4.26 135.00 130.57 1x5h s PRO 22 Ca 0.35 2.04 0.08 0.00 0.04 0.00 0.00 61.00 63.52 1x5h s PRO 22 Cb -0.07 -3.22 0.06 0.00 0.04 0.00 0.00 34.50 31.32 1x5h s PRO 22 CO 0.24 -0.29 0.72 -0.65 0.04 0.00 0.00 177.00 177.06 1x5h s GLN 23 N 0.24 2.47 -1.43 4.56 1.11 -0.72 -4.56 119.66 121.32 1x5h s GLN 23 Ca 0.59 -1.46 -0.08 0.00 0.01 0.00 0.00 55.36 54.42 1x5h s GLN 23 Cb -0.36 -2.67 0.02 0.00 -1.01 0.00 0.00 33.01 28.98 1x5h s GLN 23 CO 0.36 -0.68 0.99 0.09 0.01 0.00 0.00 175.29 176.07 1x5h n ASN 24 N -2.13 -6.17 -4.77 5.90 3.02 -1.26 -0.44 115.26 109.41 1x5h n ASN 24 Ca 0.13 -0.48 -0.34 0.00 -0.03 0.00 0.00 54.58 53.85 1x5h n ASN 24 Cb 0.61 -4.90 0.03 0.00 -0.61 0.00 0.00 39.78 34.91 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 -7.12 3.57 -0.05 3.41 2.96 -1.26 -4.25 118.68 115.94 1x5h s LEU 25 Ca 0.51 2.13 -0.31 0.00 -0.22 0.00 0.00 54.13 56.24 1x5h s LEU 25 Cb -0.23 -4.57 0.11 0.00 0.50 0.00 0.00 46.19 42.00 1x5h s LEU 25 CO 0.63 -1.47 1.06 -0.44 -1.32 0.00 0.00 176.35 174.82 1x5h s SER 26 N -2.11 -0.22 -0.29 3.68 0.01 0.35 -4.96 113.70 110.16 1x5h s SER 26 Ca 0.71 -0.07 -0.02 0.00 1.31 0.00 0.00 55.95 57.88 1x5h s SER 26 Cb -0.23 0.28 0.10 0.00 0.21 0.00 0.00 66.02 66.38 1x5h s SER 26 CO 0.34 -0.48 0.09 -0.76 0.41 0.00 0.00 173.24 172.85 1x5h s LEU 27 N -2.51 1.84 -0.89 2.44 1.43 -1.26 -1.06 118.68 118.68 1x5h s LEU 27 Ca 0.09 -1.49 -0.22 0.00 -1.03 0.00 0.00 54.13 51.48 1x5h s LEU 27 Cb -0.00 -0.75 0.07 0.00 0.03 0.00 0.00 46.19 45.54 1x5h s LEU 27 CO -0.05 -0.41 1.25 -0.70 0.23 0.00 0.00 176.35 176.67 1x5h s GLU 28 N 1.72 3.45 -1.00 1.70 2.56 0.83 -4.88 118.70 123.09 1x5h s GLU 28 Ca 0.08 -1.11 -0.25 0.00 0.00 0.00 0.00 54.97 53.69 1x5h s GLU 28 Cb -0.17 -4.85 -0.22 0.00 2.00 0.00 0.00 34.13 30.89 1x5h s GLU 28 CO -0.25 -2.01 2.04 0.28 -0.56 0.00 0.00 175.26 174.76 1x5h n VAL 29 N 6.25 0.00 -0.07 3.70 0.31 -1.26 -1.32 118.33 125.94 1x5h n VAL 29 Ca 0.19 -0.06 -0.07 0.00 -0.01 0.00 0.00 64.34 64.40 1x5h n VAL 29 Cb 0.49 -1.84 -0.01 0.00 -0.91 0.00 0.00 33.84 31.57 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 11.53 -0.13 -4.91 5.55 2.47 -1.85 -3.45 114.38 123.58 1x5h h ARG 30 Ca 0.00 0.01 -0.48 0.00 -1.26 0.00 0.00 59.98 58.25 1x5h h ARG 30 Cb 1.00 0.03 -0.13 0.00 -1.65 0.00 0.00 29.97 29.22 1x5h h ARG 30 CO 1.00 -0.09 -0.50 -0.80 0.56 0.00 0.00 179.97 180.15 1x5h s ASN 31 N -5.12 1.79 0.44 7.04 0.01 0.45 -4.99 114.94 114.57 1x5h s ASN 31 Ca -0.14 -1.74 0.25 0.00 -0.71 0.00 0.00 52.86 50.51 1x5h s ASN 31 Cb 0.13 0.55 0.86 0.00 0.41 0.00 0.00 41.25 43.19 1x5h s ASN 31 CO 0.69 -1.04 1.79 0.77 -1.51 0.00 0.00 177.10 177.80 1x5h h SER 32 N 2.10 0.00 -0.16 -1.22 4.64 -1.88 -3.02 113.55 114.02 1x5h h SER 32 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1x5h h SER 32 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1x5h h SER 32 CO 0.39 0.19 0.00 2.29 -0.87 0.00 0.00 176.83 178.83 1x5h n LYS 33 N -3.29 2.42 -3.74 4.77 -0.00 -1.26 -2.92 118.16 114.14 1x5h n LYS 33 Ca 0.01 -1.64 -0.14 0.00 -0.00 0.00 0.00 58.31 56.54 1x5h n LYS 33 Cb 0.45 -1.14 -0.14 0.00 -0.00 0.00 0.00 35.03 34.20 1x5h n LYS 33 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1x5h s SER 34 N -0.92 -0.10 -0.17 -5.58 1.04 -1.14 0.20 113.70 107.03 1x5h s SER 34 Ca 0.11 0.32 -0.00 0.00 0.48 0.00 0.00 55.95 56.86 1x5h s SER 34 Cb 0.06 0.21 0.04 0.00 0.10 0.00 0.00 66.02 66.43 1x5h s SER 34 CO 0.08 -0.15 -0.06 -0.63 0.98 0.00 0.00 173.24 173.46 1x5h s ILE 35 N 1.22 1.21 0.36 -1.02 1.01 -0.77 -0.42 121.20 122.80 1x5h s ILE 35 Ca -0.09 -0.71 -0.23 0.00 0.00 0.00 0.00 60.65 59.62 1x5h s ILE 35 Cb -0.12 -1.37 -0.10 0.00 0.01 0.00 0.00 42.46 40.88 1x5h s ILE 35 CO -0.06 0.13 0.93 -0.32 0.00 0.00 0.00 174.94 175.62 1x5h s MET 36 N 1.59 4.40 -0.13 2.79 -2.45 -0.43 -2.15 119.30 122.91 1x5h s MET 36 Ca 0.00 1.19 0.01 0.00 -1.25 0.00 0.00 55.69 55.65 1x5h s MET 36 Cb -0.15 -2.54 -0.00 0.00 1.25 0.00 0.00 34.83 33.38 1x5h s MET 36 CO -0.08 0.16 -0.17 0.42 1.05 0.00 0.00 175.02 176.40 1x5h s ILE 37 N -1.85 2.61 -0.22 10.11 1.01 0.67 -0.12 121.20 133.41 1x5h s ILE 37 Ca 0.55 -0.81 0.02 0.00 0.00 0.00 0.00 60.65 60.41 1x5h s ILE 37 Cb -0.14 -2.08 0.04 0.00 0.01 0.00 0.00 42.46 40.29 1x5h s ILE 37 CO 0.19 0.53 -0.16 -1.00 0.00 0.00 0.00 174.94 174.50 1x5h s HIS 38 N 0.56 3.00 0.10 3.97 3.76 -0.23 -2.21 115.29 124.24 1x5h s HIS 38 Ca -0.10 -1.97 0.02 0.00 -0.15 0.00 0.00 55.06 52.86 1x5h s HIS 38 Cb -0.16 -1.92 -0.04 0.00 1.11 0.00 0.00 32.58 31.57 1x5h s HIS 38 CO 0.04 -0.84 -0.07 1.67 -0.85 0.00 0.00 174.74 174.68 1x5h s TRP 39 N 1.20 0.93 0.19 1.40 -2.14 -1.13 -0.49 118.94 118.90 1x5h s TRP 39 Ca -0.02 -0.85 0.10 0.00 2.66 0.00 0.00 56.10 58.00 1x5h s TRP 39 Cb -0.16 -0.52 -0.04 0.00 -3.10 0.00 0.00 33.47 29.64 1x5h s TRP 39 CO -0.09 -0.11 -0.18 -0.65 -2.66 0.00 0.00 176.95 173.26 1x5h s GLN 40 N -3.56 1.73 0.41 3.25 1.11 0.42 -4.68 119.66 118.34 1x5h s GLN 40 Ca 0.10 -1.43 -0.25 0.00 0.01 0.00 0.00 55.36 53.80 1x5h s GLN 40 Cb 0.03 -1.97 -0.08 0.00 -1.01 0.00 0.00 33.01 29.98 1x5h s GLN 40 CO -0.03 0.41 1.19 -1.25 0.01 0.00 0.00 175.29 175.61 1x5h s PRO 41 N -2.73 3.98 0.90 2.91 0.04 -1.26 -1.76 135.00 137.08 1x5h s PRO 41 Ca 0.22 1.87 -0.12 0.00 0.04 0.00 0.00 61.00 63.01 1x5h s PRO 41 Cb -0.08 -2.63 0.13 0.00 0.04 0.00 0.00 34.50 31.96 1x5h s PRO 41 CO 0.12 -0.39 1.09 -1.25 0.04 0.00 0.00 177.00 176.61 1x5h s PRO 42 N -2.37 1.25 0.71 0.56 0.04 -1.26 -4.53 135.00 129.40 1x5h s PRO 42 Ca 0.58 0.81 -0.16 0.00 0.04 0.00 0.00 61.00 62.27 1x5h s PRO 42 Cb -0.31 -1.81 0.01 0.00 0.04 0.00 0.00 34.50 32.43 1x5h s PRO 42 CO 0.39 -2.24 1.08 0.00 0.04 0.00 0.00 177.00 176.27 1x5h n ALA 43 N -3.88 0.13 -0.06 8.56 0.00 -1.26 -4.87 120.51 119.13 1x5h n ALA 43 Ca 0.07 -0.16 -0.13 0.00 0.00 0.00 0.00 53.44 53.22 1x5h n ALA 43 Cb 0.55 -2.19 -0.07 0.00 0.00 0.00 0.00 19.45 17.75 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 -0.16 0.37 0.00 0.00 0.13 -1.94 -2.36 132.00 128.04 1x5h h PRO 44 Ca -0.48 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.46 1x5h h PRO 44 Cb 1.33 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1x5h h PRO 44 CO 0.48 0.74 0.08 0.00 -0.23 0.00 0.00 178.00 179.07 1x5h h ALA 45 N 0.62 1.06 0.00 -0.56 0.00 -2.03 0.14 119.26 118.48 1x5h h ALA 45 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1x5h h ALA 45 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1x5h h ALA 45 CO 0.04 -0.06 -1.78 0.25 0.00 0.00 0.00 179.25 177.70 1x5h n THR 46 N -2.45 0.00 -2.28 0.00 -2.24 -1.11 -4.91 114.28 101.29 1x5h n THR 46 Ca -0.02 -0.40 -0.43 0.00 -2.27 0.00 0.00 64.05 60.94 1x5h n THR 46 Cb 0.12 0.20 -0.02 0.00 -2.10 0.00 0.00 70.33 68.52 1x5h n THR 46 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1x5h s GLN 47 N -3.36 3.85 -0.16 -0.78 -0.21 0.49 -4.47 119.66 115.01 1x5h s GLN 47 Ca -0.05 1.42 0.02 0.00 0.02 0.00 0.00 55.36 56.77 1x5h s GLN 47 Cb 0.14 -3.95 0.26 0.00 1.00 0.00 0.00 33.01 30.46 1x5h s GLN 47 CO 0.86 -1.21 1.31 0.09 -2.12 0.00 0.00 175.29 174.23 1x5h n ASN 48 N 8.03 3.24 0.00 5.90 4.13 -1.26 -4.93 115.26 130.36 1x5h n ASN 48 Ca 0.17 -2.59 0.00 0.00 1.68 0.00 0.00 54.58 53.84 1x5h n ASN 48 Cb 0.46 -0.62 0.00 0.00 -1.54 0.00 0.00 39.78 38.08 1x5h n ASN 48 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1x5h n GLY 49 N -0.09 -0.43 3.78 7.41 0.00 -1.26 -4.90 105.19 109.69 1x5h n GLY 49 Ca 0.22 -1.54 -0.39 0.00 0.00 0.00 0.00 46.02 44.31 1x5h n GLY 49 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1x5h s GLN 50 N -1.95 4.37 0.05 1.61 -2.07 -1.26 -5.04 119.66 115.37 1x5h s GLN 50 Ca 0.00 0.90 -0.30 0.00 -1.82 0.00 0.00 55.36 54.14 1x5h s GLN 50 Cb 0.00 -3.29 -0.04 0.00 -1.09 0.00 0.00 33.01 28.59 1x5h s GLN 50 CO 0.00 0.50 0.97 0.42 -1.32 0.00 0.00 175.29 175.87 1x5h s ILE 51 N -0.74 4.72 -0.10 3.63 1.01 -1.26 -4.43 121.20 124.02 1x5h s ILE 51 Ca 0.33 2.06 0.17 0.00 0.00 0.00 0.00 60.65 63.21 1x5h s ILE 51 Cb -0.20 -4.32 -0.25 0.00 0.01 0.00 0.00 42.46 37.69 1x5h s ILE 51 CO 0.21 0.23 0.23 0.35 0.00 0.00 0.00 174.94 175.96 1x5h n THR 52 N 3.44 0.63 0.00 2.92 -2.24 -0.42 -4.63 114.28 113.98 1x5h n THR 52 Ca 0.04 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 1x5h n THR 52 Cb 0.50 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 1x5h n THR 52 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x5h n GLY 53 N 1.68 0.52 3.25 3.38 0.00 -1.23 -1.50 105.19 111.30 1x5h n GLY 53 Ca -0.17 -0.88 -0.31 0.00 0.00 0.00 0.00 46.02 44.65 1x5h n GLY 53 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x5h s TYR 54 N -2.00 2.46 -0.54 1.61 2.02 -1.11 -0.26 117.35 119.52 1x5h s TYR 54 Ca 0.00 -0.82 -0.18 0.00 -0.37 0.00 0.00 57.07 55.69 1x5h s TYR 54 Cb 0.00 -1.62 0.09 0.00 -0.40 0.00 0.00 41.96 40.03 1x5h s TYR 54 CO 0.00 -0.28 0.62 0.21 -1.57 0.00 0.00 175.55 174.52 1x5h s LYS 55 N 0.01 3.05 -0.20 -0.62 2.20 0.18 -1.26 119.74 123.10 1x5h s LYS 55 Ca -0.09 -1.23 -0.13 0.00 -0.36 0.00 0.00 55.97 54.16 1x5h s LYS 55 Cb -0.15 -4.20 -0.05 0.00 -1.51 0.00 0.00 37.83 31.92 1x5h s LYS 55 CO 0.05 -1.35 0.24 0.42 -0.36 0.00 0.00 175.35 174.36 1x5h s ILE 56 N 2.41 5.32 0.07 5.43 1.01 0.12 -1.94 121.20 133.62 1x5h s ILE 56 Ca 0.11 0.40 0.07 0.00 0.00 0.00 0.00 60.65 61.23 1x5h s ILE 56 Cb -0.23 -3.58 -0.03 0.00 0.01 0.00 0.00 42.46 38.63 1x5h s ILE 56 CO 0.08 0.35 -0.19 -0.13 0.00 0.00 0.00 174.94 175.05 1x5h s ARG 57 N 0.84 1.17 -0.08 2.79 0.52 -0.33 -0.56 118.95 123.30 1x5h s ARG 57 Ca 0.13 -1.00 -0.10 0.00 -0.52 0.00 0.00 55.73 54.24 1x5h s ARG 57 Cb -0.13 -1.32 0.02 0.00 0.52 0.00 0.00 34.95 34.04 1x5h s ARG 57 CO 0.04 0.32 0.26 1.52 0.02 0.00 0.00 175.30 177.46 1x5h s TYR 58 N -0.99 -0.24 0.31 -0.53 1.13 -1.21 -0.63 117.35 115.18 1x5h s TYR 58 Ca 0.05 0.56 0.06 0.00 -1.41 0.00 0.00 57.07 56.33 1x5h s TYR 58 Cb -0.09 0.08 -0.03 0.00 -1.10 0.00 0.00 41.96 40.82 1x5h s TYR 58 CO 0.03 -0.19 0.26 -0.98 -2.51 0.00 0.00 175.55 172.16 1x5h s ARG 59 N -0.21 1.66 -0.07 -3.49 1.70 -1.01 -2.39 118.95 115.14 1x5h s ARG 59 Ca -0.03 -1.94 -0.15 0.00 -0.47 0.00 0.00 55.73 53.13 1x5h s ARG 59 Cb -0.03 0.32 -0.05 0.00 -0.57 0.00 0.00 34.95 34.62 1x5h s ARG 59 CO 0.01 -0.61 0.39 0.15 -1.08 0.00 0.00 175.30 174.17 1x5h s LYS 60 N -3.56 4.09 0.30 3.89 1.02 -1.07 -1.38 119.74 123.02 1x5h s LYS 60 Ca 0.40 0.34 0.04 0.00 0.02 0.00 0.00 55.97 56.78 1x5h s LYS 60 Cb 0.03 -3.32 0.77 0.00 -0.52 0.00 0.00 37.83 34.79 1x5h s LYS 60 CO 0.25 0.45 1.67 0.00 -0.92 0.00 0.00 175.35 176.80 1x5h h ALA 61 N 5.69 1.44 0.01 5.17 0.00 -1.94 -2.08 119.26 127.55 1x5h h ALA 61 Ca -0.47 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1x5h h ALA 61 Cb 1.20 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1x5h h ALA 61 CO 0.68 -0.43 -0.00 1.03 0.00 0.00 0.00 179.25 180.53 1x5h h SER 62 N 0.30 -0.01 -3.58 0.00 0.87 -1.93 -3.40 113.55 105.80 1x5h h SER 62 Ca 0.58 -0.76 -0.79 0.00 -1.23 0.00 0.00 61.79 59.59 1x5h h SER 62 Cb 1.17 0.00 -0.26 0.00 -0.44 0.00 0.00 62.40 62.87 1x5h h SER 62 CO -0.59 0.86 0.35 -0.60 -0.53 0.00 0.00 176.83 176.32 1x5h s ARG 63 N -2.17 3.93 0.11 2.24 6.06 -0.81 -4.84 118.95 123.47 1x5h s ARG 63 Ca -0.15 -2.84 -0.12 0.00 -2.50 0.00 0.00 55.73 50.13 1x5h s ARG 63 Cb -0.02 -4.54 -0.15 0.00 0.06 0.00 0.00 34.95 30.31 1x5h s ARG 63 CO 0.54 -1.30 1.30 0.87 -2.50 0.00 0.00 175.30 174.21 1x5h h LYS 64 N 7.21 0.74 -0.77 5.12 1.57 -1.70 -2.84 116.57 125.91 1x5h h LYS 64 Ca 0.15 -0.64 0.12 0.00 -1.87 0.00 0.00 60.65 58.42 1x5h h LYS 64 Cb 0.95 0.14 -0.13 0.00 0.08 0.00 0.00 32.23 33.27 1x5h h LYS 64 CO 0.92 1.24 -0.38 0.77 -0.57 0.00 0.00 179.45 181.43 1x5h h SER 65 N 0.49 -1.35 -2.48 0.86 0.02 -1.88 -3.35 113.55 105.86 1x5h h SER 65 Ca -0.06 0.27 -0.56 0.00 -0.84 0.00 0.00 61.79 60.60 1x5h h SER 65 Cb 1.45 0.68 -0.03 0.00 0.14 0.00 0.00 62.40 64.64 1x5h h SER 65 CO 0.16 -0.30 1.30 -0.62 -1.14 0.00 0.00 176.83 176.24 1x5h s ASP 66 N -5.25 5.71 0.13 3.07 -1.08 -1.24 -4.97 116.67 113.02 1x5h s ASP 66 Ca -0.14 1.08 0.08 0.00 -0.52 0.00 0.00 52.55 53.06 1x5h s ASP 66 Cb 0.17 -2.53 -0.04 0.00 -1.46 0.00 0.00 42.92 39.07 1x5h s ASP 66 CO 0.69 -1.90 -0.20 -0.69 0.52 0.00 0.00 175.17 173.60 1x5h s VAL 67 N 7.55 1.76 0.03 1.11 1.01 -1.26 -4.21 120.40 126.40 1x5h s VAL 67 Ca 0.78 -1.69 0.06 0.00 0.00 0.00 0.00 61.98 61.12 1x5h s VAL 67 Cb -0.20 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 1x5h s VAL 67 CO 0.31 -0.16 -0.13 -0.89 0.00 0.00 0.00 175.10 174.22 1x5h s THR 68 N -1.51 3.13 -0.24 3.92 2.01 -1.00 -4.99 115.64 116.96 1x5h s THR 68 Ca 0.10 -1.03 -0.06 0.00 0.31 0.00 0.00 61.69 61.01 1x5h s THR 68 Cb -0.08 -2.34 -0.02 0.00 0.01 0.00 0.00 72.50 70.07 1x5h s THR 68 CO 0.05 0.35 0.03 -0.70 -0.69 0.00 0.00 174.62 173.67 1x5h s GLU 69 N -1.45 3.52 -0.28 4.92 2.12 -1.26 -3.36 118.70 122.91 1x5h s GLU 69 Ca 0.16 -0.55 -0.01 0.00 0.36 0.00 0.00 54.97 54.93 1x5h s GLU 69 Cb -0.11 -3.21 0.09 0.00 0.26 0.00 0.00 34.13 31.16 1x5h s GLU 69 CO 0.06 -0.21 0.07 0.99 -0.54 0.00 0.00 175.26 175.63 1x5h s THR 70 N 1.56 0.93 -0.20 -1.70 2.01 0.27 -5.01 115.64 113.51 1x5h s THR 70 Ca 0.06 -1.25 -0.10 0.00 0.31 0.00 0.00 61.69 60.71 1x5h s THR 70 Cb -0.15 -1.60 -0.05 0.00 0.01 0.00 0.00 72.50 70.71 1x5h s THR 70 CO 0.01 -0.52 0.12 -0.22 -0.69 0.00 0.00 174.62 173.32 1x5h s LEU 71 N 1.61 4.17 0.56 4.42 0.20 -1.26 0.15 118.68 128.52 1x5h s LEU 71 Ca 0.06 0.21 0.05 0.00 0.69 0.00 0.00 54.13 55.14 1x5h s LEU 71 Cb -0.17 -2.08 0.04 0.00 -0.43 0.00 0.00 46.19 43.55 1x5h s LEU 71 CO -0.19 0.18 0.37 0.68 -0.29 0.00 0.00 176.35 177.10 1x5h s VAL 72 N 0.35 1.49 0.87 1.68 -7.23 -0.39 -4.94 120.40 112.23 1x5h s VAL 72 Ca 0.07 -1.55 -0.11 0.00 -1.81 0.00 0.00 61.98 58.58 1x5h s VAL 72 Cb -0.11 -2.03 0.11 0.00 0.56 0.00 0.00 36.38 34.91 1x5h s VAL 72 CO -0.02 0.00 1.09 -0.55 -0.31 0.00 0.00 175.10 175.31 1x5h s SER 73 N -4.27 3.70 0.19 4.85 0.15 -1.26 -2.76 113.70 114.30 1x5h s SER 73 Ca 0.29 1.59 -0.08 0.00 0.70 0.00 0.00 55.95 58.45 1x5h s SER 73 Cb -0.02 -2.27 0.09 0.00 -1.71 0.00 0.00 66.02 62.11 1x5h s SER 73 CO 0.18 -2.51 1.63 1.23 1.20 0.00 0.00 173.24 174.97 1x5h h GLY 74 N -1.46 1.08 0.09 9.45 0.00 -1.53 -2.53 103.07 108.17 1x5h h GLY 74 Ca -0.48 -0.84 0.00 0.00 0.00 0.00 0.00 47.33 46.01 1x5h h GLY 74 CO 0.53 0.77 0.00 -0.37 0.00 0.00 0.00 176.54 177.48 1x5h n THR 75 N -4.16 0.05 -2.95 4.70 5.66 -1.26 -4.72 114.28 111.60 1x5h n THR 75 Ca 0.02 -0.15 -0.42 0.00 -3.05 0.00 0.00 64.05 60.45 1x5h n THR 75 Cb 0.38 0.03 -0.05 0.00 -1.55 0.00 0.00 70.33 69.14 1x5h n THR 75 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 1x5h s GLN 76 N -1.95 4.00 -0.23 1.09 0.74 -0.95 -4.91 119.66 117.44 1x5h s GLN 76 Ca 0.37 0.62 0.13 0.00 0.05 0.00 0.00 55.36 56.54 1x5h s GLN 76 Cb 0.19 -3.71 0.48 0.00 1.10 0.00 0.00 33.01 31.07 1x5h s GLN 76 CO 0.30 -0.64 1.40 1.28 -0.55 0.00 0.00 175.29 177.08 1x5h n LEU 77 N 6.14 3.73 -3.56 3.68 4.77 -1.26 -4.76 117.00 125.74 1x5h n LEU 77 Ca 0.04 -3.42 -0.17 0.00 -0.03 0.00 0.00 56.01 52.42 1x5h n LEU 77 Cb 0.48 -0.57 -0.06 0.00 -2.33 0.00 0.00 43.42 40.93 1x5h n LEU 77 CO 0.49 0.99 0.39 -0.94 -1.33 0.00 0.00 177.39 176.98 1x5h s SER 78 N -2.41 -0.62 0.05 -1.43 1.04 -1.26 -2.83 113.70 106.25 1x5h s SER 78 Ca 0.42 0.74 -0.15 0.00 0.48 0.00 0.00 55.95 57.44 1x5h s SER 78 Cb 0.36 0.63 0.02 0.00 0.10 0.00 0.00 66.02 67.14 1x5h s SER 78 CO 0.03 -0.54 0.34 -1.58 0.98 0.00 0.00 173.24 172.47 1x5h s GLN 79 N -0.99 0.85 -0.23 4.02 2.00 -0.94 -4.99 119.66 119.39 1x5h s GLN 79 Ca -0.10 -0.48 0.02 0.00 -2.00 0.00 0.00 55.36 52.81 1x5h s GLN 79 Cb -0.01 0.37 0.05 0.00 0.80 0.00 0.00 33.01 34.22 1x5h s GLN 79 CO 0.08 -0.28 -0.13 -1.17 -0.50 0.00 0.00 175.29 173.29 1x5h s LEU 80 N -2.08 2.83 -0.77 3.68 2.96 -1.26 -0.24 118.68 123.80 1x5h s LEU 80 Ca -0.05 -1.09 -0.17 0.00 -0.22 0.00 0.00 54.13 52.61 1x5h s LEU 80 Cb -0.01 -1.45 0.16 0.00 0.50 0.00 0.00 46.19 45.39 1x5h s LEU 80 CO -0.03 -0.13 0.83 -0.63 -1.32 0.00 0.00 176.35 175.07 1x5h s ILE 81 N 1.22 5.12 0.31 6.68 -1.09 -0.92 -4.97 121.20 127.56 1x5h s ILE 81 Ca -0.04 -1.75 -0.05 0.00 -2.23 0.00 0.00 60.65 56.58 1x5h s ILE 81 Cb -0.17 -4.55 -0.05 0.00 -1.58 0.00 0.00 42.46 36.10 1x5h s ILE 81 CO -0.08 -1.18 0.59 -1.61 -1.23 0.00 0.00 174.94 171.43 1x5h s GLU 82 N 1.65 3.64 0.00 2.79 2.02 -1.26 -1.84 118.70 125.70 1x5h s GLU 82 Ca 0.19 0.05 0.00 0.00 0.02 0.00 0.00 54.97 55.23 1x5h s GLU 82 Cb -0.14 -2.61 0.00 0.00 0.10 0.00 0.00 34.13 31.48 1x5h s GLU 82 CO -0.04 0.17 0.00 0.41 0.02 0.00 0.00 175.26 175.82 1x5h n GLY 83 N -1.06 0.58 2.71 -1.39 0.00 0.46 -4.97 105.19 101.53 1x5h n GLY 83 Ca -0.01 -0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.15 0.00 -4.37 0.99 4.77 0.13 -5.01 117.00 113.36 1x5h n LEU 84 Ca 0.00 -2.23 -0.32 0.00 -0.03 0.00 0.00 56.01 53.43 1x5h n LEU 84 Cb 0.08 0.14 -0.15 0.00 -2.33 0.00 0.00 43.42 41.17 1x5h n LEU 84 CO 0.00 -0.40 -0.53 -1.81 -1.33 0.00 0.00 177.39 173.32 1x5h s ASP 85 N -3.17 3.40 0.92 -1.43 1.01 -1.25 -4.41 116.67 111.74 1x5h s ASP 85 Ca 0.09 -0.37 -0.11 0.00 0.71 0.00 0.00 52.55 52.87 1x5h s ASP 85 Cb -0.01 -0.52 0.15 0.00 1.01 0.00 0.00 42.92 43.55 1x5h s ASP 85 CO 0.06 0.33 1.09 0.00 0.21 0.00 0.00 175.17 176.86 1x5h s ARG 86 N -0.66 1.01 -1.24 8.23 1.70 -1.15 -3.76 118.95 123.08 1x5h s ARG 86 Ca 0.11 1.05 -0.22 0.00 -0.47 0.00 0.00 55.73 56.19 1x5h s ARG 86 Cb -0.10 -1.76 0.03 0.00 -0.57 0.00 0.00 34.95 32.55 1x5h s ARG 86 CO -0.00 -2.48 0.42 0.41 -1.08 0.00 0.00 175.30 172.57 1x5h n GLY 87 N -0.53 -0.55 3.40 3.88 0.00 -1.25 -4.93 105.19 105.21 1x5h n GLY 87 Ca 0.08 0.26 -0.08 0.00 0.00 0.00 0.00 46.02 46.28 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 -3.86 -0.28 0.39 2.61 2.01 -1.25 -4.98 115.64 110.28 1x5h s THR 88 Ca 0.31 0.08 -0.27 0.00 0.31 0.00 0.00 61.69 62.12 1x5h s THR 88 Cb -0.17 -0.76 -0.09 0.00 0.01 0.00 0.00 72.50 71.49 1x5h s THR 88 CO 0.92 0.03 1.33 -0.70 -0.69 0.00 0.00 174.62 175.51 1x5h s GLU 89 N 1.93 4.06 -0.01 4.92 2.12 -1.26 -3.62 118.70 126.83 1x5h s GLU 89 Ca -0.07 2.22 0.00 0.00 0.36 0.00 0.00 54.97 57.49 1x5h s GLU 89 Cb -0.09 -2.84 0.01 0.00 0.26 0.00 0.00 34.13 31.47 1x5h s GLU 89 CO -0.15 -0.44 -0.01 0.71 -0.54 0.00 0.00 175.26 174.83 1x5h s TYR 90 N -1.22 0.20 0.11 5.30 2.02 0.11 -3.65 117.35 120.22 1x5h s TYR 90 Ca 0.55 -0.00 -0.02 0.00 -0.37 0.00 0.00 57.07 57.23 1x5h s TYR 90 Cb -0.40 -0.22 -0.05 0.00 -0.40 0.00 0.00 41.96 40.89 1x5h s TYR 90 CO 0.52 -0.05 0.30 -0.80 -1.57 0.00 0.00 175.55 173.94 1x5h s ASN 91 N 0.43 6.42 -0.06 2.29 0.02 -0.48 0.22 114.94 123.79 1x5h s ASN 91 Ca -0.04 0.42 -0.13 0.00 -1.02 0.00 0.00 52.86 52.10 1x5h s ASN 91 Cb -0.06 -2.02 0.02 0.00 0.02 0.00 0.00 41.25 39.21 1x5h s ASN 91 CO -0.01 0.10 0.30 -0.36 0.02 0.00 0.00 177.10 177.14 1x5h s PHE 92 N -1.61 -0.23 -0.12 2.20 0.40 -0.59 -2.41 117.98 115.62 1x5h s PHE 92 Ca 0.38 0.47 -0.09 0.00 -0.60 0.00 0.00 56.93 57.09 1x5h s PHE 92 Cb -0.12 0.09 0.04 0.00 0.51 0.00 0.00 43.02 43.54 1x5h s PHE 92 CO 0.27 -0.29 0.30 -0.98 0.70 0.00 0.00 175.22 175.21 1x5h s ARG 93 N -0.72 0.32 -0.10 0.44 1.70 0.19 -2.48 118.95 118.29 1x5h s ARG 93 Ca -0.08 0.50 0.01 0.00 -0.47 0.00 0.00 55.73 55.68 1x5h s ARG 93 Cb -0.04 0.07 -0.02 0.00 -0.57 0.00 0.00 34.95 34.38 1x5h s ARG 93 CO 0.02 -0.09 -0.12 0.08 -1.08 0.00 0.00 175.30 174.12 1x5h s VAL 94 N 0.62 3.22 0.04 4.99 1.01 -1.26 -1.18 120.40 127.84 1x5h s VAL 94 Ca -0.04 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.36 1x5h s VAL 94 Cb -0.05 -2.33 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 1x5h s VAL 94 CO -0.04 0.55 -0.12 0.00 0.00 0.00 0.00 175.10 175.49 1x5h s ALA 95 N -0.08 0.94 0.18 5.51 0.00 -0.82 -1.63 121.76 125.87 1x5h s ALA 95 Ca -0.01 -0.80 -0.11 0.00 0.00 0.00 0.00 51.96 51.04 1x5h s ALA 95 Cb -0.14 -0.09 -0.07 0.00 0.00 0.00 0.00 23.12 22.82 1x5h s ALA 95 CO 0.03 0.13 0.53 0.00 0.00 0.00 0.00 175.76 176.46 1x5h s ALA 96 N -1.02 3.59 -0.04 0.00 0.00 -1.22 0.49 121.76 123.55 1x5h s ALA 96 Ca -0.02 -0.23 0.05 0.00 0.00 0.00 0.00 51.96 51.76 1x5h s ALA 96 Cb -0.08 -2.45 -0.01 0.00 0.00 0.00 0.00 23.12 20.58 1x5h s ALA 96 CO 0.01 0.49 -0.18 -0.51 0.00 0.00 0.00 175.76 175.57 1x5h s LEU 97 N -2.41 1.96 0.30 0.00 1.43 0.65 -0.12 118.68 120.49 1x5h s LEU 97 Ca 0.42 -0.36 0.04 0.00 -1.03 0.00 0.00 54.13 53.20 1x5h s LEU 97 Cb -0.13 -1.00 -0.03 0.00 0.03 0.00 0.00 46.19 45.06 1x5h s LEU 97 CO 0.20 0.18 0.19 0.42 0.23 0.00 0.00 176.35 177.57 1x5h s THR 98 N -0.12 0.19 0.62 5.49 -4.23 -0.94 -1.30 115.64 115.35 1x5h s THR 98 Ca -0.01 -2.00 0.36 0.00 -1.18 0.00 0.00 61.69 58.86 1x5h s THR 98 Cb -0.10 -2.49 0.39 0.00 1.34 0.00 0.00 72.50 71.64 1x5h s THR 98 CO 0.01 0.00 2.30 -0.29 -0.54 0.00 0.00 174.62 176.10 1x5h h ILE 99 N 2.22 0.30 0.00 2.99 2.10 -1.96 0.10 117.51 123.26 1x5h h ILE 99 Ca -0.31 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.63 1x5h h ILE 99 Cb 1.25 0.99 0.00 0.00 -1.09 0.00 0.00 36.82 37.96 1x5h h ILE 99 CO 0.48 0.00 0.00 0.59 -1.08 0.00 0.00 178.15 178.14 1x5h n ASN 100 N -3.51 0.71 0.00 2.19 3.02 -1.26 -5.00 115.26 111.41 1x5h n ASN 100 Ca -0.03 0.63 0.00 0.00 -0.03 0.00 0.00 54.58 55.15 1x5h n ASN 100 Cb 0.09 -0.80 0.00 0.00 -0.61 0.00 0.00 39.78 38.47 1x5h n ASN 100 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x5h n GLY 101 N 0.52 0.44 3.80 7.41 0.00 0.35 -4.38 105.19 113.33 1x5h n GLY 101 Ca 0.03 -1.05 -0.27 0.00 0.00 0.00 0.00 46.02 44.74 1x5h n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x5h s THR 102 N 0.00 4.54 0.00 2.61 2.01 -1.26 -2.22 115.64 121.31 1x5h s THR 102 Ca 0.00 -1.02 0.00 0.00 0.31 0.00 0.00 61.69 60.98 1x5h s THR 102 Cb 0.00 -3.30 0.00 0.00 0.01 0.00 0.00 72.50 69.21 1x5h s THR 102 CO 0.00 -0.07 0.00 0.61 -0.69 0.00 0.00 174.62 174.47 1x5h n GLY 103 N -0.24 3.56 3.69 4.40 0.00 0.82 -4.38 105.19 113.03 1x5h n GLY 103 Ca -0.08 -2.12 -0.29 0.00 0.00 0.00 0.00 46.02 43.52 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 -0.68 0.60 -0.04 1.61 0.04 -1.26 -4.71 135.00 130.56 1x5h s PRO 104 Ca 0.00 0.58 0.04 0.00 0.04 0.00 0.00 61.00 61.66 1x5h s PRO 104 Cb 0.00 -1.75 -0.00 0.00 0.04 0.00 0.00 34.50 32.79 1x5h s PRO 104 CO 0.00 -2.63 -0.15 0.00 0.04 0.00 0.00 177.00 174.25 1x5h s ALA 105 N -2.96 1.38 0.54 8.56 0.00 -1.26 -3.44 121.76 124.58 1x5h s ALA 105 Ca 0.65 -0.62 -0.21 0.00 0.00 0.00 0.00 51.96 51.78 1x5h s ALA 105 Cb -0.18 -0.46 -0.05 0.00 0.00 0.00 0.00 23.12 22.43 1x5h s ALA 105 CO 0.57 0.25 1.24 0.95 0.00 0.00 0.00 175.76 178.78 1x5h s THR 106 N 0.03 2.62 0.31 0.00 -4.23 -0.64 -4.93 115.64 108.80 1x5h s THR 106 Ca -0.03 0.43 -0.29 0.00 -1.18 0.00 0.00 61.69 60.62 1x5h s THR 106 Cb -0.10 -3.20 -0.13 0.00 1.34 0.00 0.00 72.50 70.41 1x5h s THR 106 CO 0.02 -0.04 1.27 0.47 -0.54 0.00 0.00 174.62 175.80 1x5h n ASP 107 N -1.10 2.51 -4.49 3.99 9.92 -1.26 -4.59 116.55 121.53 1x5h n ASP 107 Ca 0.11 1.19 -0.45 0.00 -0.53 0.00 0.00 54.79 55.10 1x5h n ASP 107 Cb 0.48 -1.44 -0.07 0.00 -0.64 0.00 0.00 41.12 39.45 1x5h n ASP 107 CO 0.00 0.00 0.00 0.79 0.13 0.00 0.00 177.20 178.12 1x5h n TRP 108 N 0.71 1.44 -3.58 1.24 7.02 -1.26 -4.81 117.44 118.20 1x5h n TRP 108 Ca 0.07 0.22 -0.39 0.00 -1.02 0.00 0.00 57.50 56.38 1x5h n TRP 108 Cb 0.34 -2.55 -0.11 0.00 -2.42 0.00 0.00 31.31 26.57 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 8.76 4.25 0.12 -0.99 2.96 -1.04 -4.92 118.68 127.82 1x5h s LEU 109 Ca 1.10 -0.33 -0.17 0.00 -0.22 0.00 0.00 54.13 54.52 1x5h s LEU 109 Cb -0.72 -2.09 -0.07 0.00 0.50 0.00 0.00 46.19 43.81 1x5h s LEU 109 CO 0.43 -0.17 0.56 -0.44 -1.32 0.00 0.00 176.35 175.41 1x5h s SER 110 N 1.70 6.93 -0.01 3.68 0.01 -1.26 -1.54 113.70 123.21 1x5h s SER 110 Ca 0.06 1.16 0.01 0.00 1.31 0.00 0.00 55.95 58.49 1x5h s SER 110 Cb -0.17 -2.32 0.00 0.00 0.21 0.00 0.00 66.02 63.74 1x5h s SER 110 CO 0.09 0.18 -0.03 0.00 0.41 0.00 0.00 173.24 173.89 1x5h s ALA 111 N -1.31 0.33 -0.28 1.44 0.00 0.13 -4.91 121.76 117.16 1x5h s ALA 111 Ca 0.34 -0.12 -0.09 0.00 0.00 0.00 0.00 51.96 52.09 1x5h s ALA 111 Cb -0.17 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 1x5h s ALA 111 CO 0.19 0.06 0.13 -2.00 0.00 0.00 0.00 175.76 174.13 1x5h s GLU 112 N 0.06 3.57 0.91 0.00 2.12 -1.26 0.06 118.70 124.15 1x5h s GLU 112 Ca -0.00 -0.56 -0.12 0.00 0.36 0.00 0.00 54.97 54.66 1x5h s GLU 112 Cb -0.03 -3.49 0.14 0.00 0.26 0.00 0.00 34.13 31.01 1x5h s GLU 112 CO -0.00 -0.29 1.09 0.95 -0.54 0.00 0.00 175.26 176.47 1x5h s THR 113 N 1.64 2.57 -0.05 -1.70 -4.23 -1.24 -4.97 115.64 107.67 1x5h s THR 113 Ca 0.06 0.19 -0.30 0.00 -1.18 0.00 0.00 61.69 60.45 1x5h s THR 113 Cb -0.16 -2.67 -0.03 0.00 1.34 0.00 0.00 72.50 70.98 1x5h s THR 113 CO 0.06 -0.24 1.12 -0.36 -0.54 0.00 0.00 174.62 174.66 1x5h s PHE 114 N -2.94 3.35 0.62 3.99 0.08 -1.26 -3.95 117.98 117.87 1x5h s PHE 114 Ca 0.64 1.38 0.23 0.00 0.12 0.00 0.00 56.93 59.29 1x5h s PHE 114 Cb -0.18 -3.33 0.87 0.00 -0.57 0.00 0.00 43.02 39.81 1x5h s PHE 114 CO 0.57 -0.88 1.35 0.93 -0.10 0.00 0.00 175.22 177.08 1x5h h GLU 115 N 7.22 0.00 -1.60 0.44 5.08 -1.93 -3.31 114.58 120.48 1x5h h GLU 115 Ca -0.35 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.09 1x5h h GLU 115 Cb 1.17 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 30.16 1x5h h GLU 115 CO 0.85 0.00 0.40 -1.12 -1.00 0.00 0.00 179.01 178.15 1x5h s SER 116 N -3.62 -0.50 -0.81 1.42 0.01 -1.26 -4.52 113.70 104.43 1x5h s SER 116 Ca -0.02 0.89 -0.23 0.00 1.31 0.00 0.00 55.95 57.90 1x5h s SER 116 Cb 0.12 1.03 -0.19 0.00 0.21 0.00 0.00 66.02 67.19 1x5h s SER 116 CO 0.40 -0.15 2.40 -0.90 0.41 0.00 0.00 173.24 175.40 1x5h n ASP 117 N 2.86 0.87 -4.45 2.44 5.75 -1.26 -4.88 116.55 117.88 1x5h n ASP 117 Ca -0.15 -0.76 -0.36 0.00 -0.01 0.00 0.00 54.79 53.50 1x5h n ASP 117 Cb 0.57 -1.25 -0.13 0.00 -1.03 0.00 0.00 41.12 39.28 1x5h n ASP 117 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1x5h s LEU 118 N 9.65 3.44 -0.76 -2.12 2.96 -1.26 -5.02 118.68 125.57 1x5h s LEU 118 Ca 1.11 -0.21 -0.24 0.00 -0.22 0.00 0.00 54.13 54.58 1x5h s LEU 118 Cb -0.50 -1.92 -0.16 0.00 0.50 0.00 0.00 46.19 44.11 1x5h s LEU 118 CO 0.31 -0.03 2.40 0.47 -1.32 0.00 0.00 176.35 178.18 1x5h n ASP 119 N 4.90 1.33 -4.75 3.68 8.00 -1.26 -4.89 116.55 123.56 1x5h n ASP 119 Ca -0.16 -0.99 -0.40 0.00 0.71 0.00 0.00 54.79 53.95 1x5h n ASP 119 Cb 0.51 -1.42 -0.04 0.00 -0.02 0.00 0.00 41.12 40.15 1x5h n ASP 119 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1x5h s GLU 120 N 8.49 4.60 -0.20 -1.24 2.56 -1.26 -5.02 118.70 126.63 1x5h s GLU 120 Ca 1.03 1.82 -0.13 0.00 0.00 0.00 0.00 54.97 57.70 1x5h s GLU 120 Cb -0.33 -3.20 -0.05 0.00 2.00 0.00 0.00 34.13 32.55 1x5h s GLU 120 CO 0.23 0.14 0.25 0.99 -0.56 0.00 0.00 175.26 176.31 1x5h s THR 121 N -0.91 5.32 -0.13 -1.70 2.01 -1.26 -5.07 115.64 113.89 1x5h s THR 121 Ca 0.46 0.41 -0.19 0.00 0.31 0.00 0.00 61.69 62.69 1x5h s THR 121 Cb -0.32 -3.59 0.05 0.00 0.01 0.00 0.00 72.50 68.65 1x5h s THR 121 CO 0.40 0.36 0.49 -0.13 -0.69 0.00 0.00 174.62 175.05 1x5h s ARG 122 N 0.79 0.67 -0.72 4.92 0.52 -1.26 -5.11 118.95 118.76 1x5h s ARG 122 Ca 0.13 0.45 -0.01 0.00 -0.52 0.00 0.00 55.73 55.78 1x5h s ARG 122 Cb -0.13 0.32 0.18 0.00 0.52 0.00 0.00 34.95 35.84 1x5h s ARG 122 CO 0.04 -0.13 0.56 0.14 0.02 0.00 0.00 175.30 175.92 1x5h s VAL 123 N -0.27 3.79 0.92 3.52 -7.23 -1.26 -5.08 120.40 114.79 1x5h s VAL 123 Ca -0.04 -3.45 -0.15 0.00 -1.81 0.00 0.00 61.98 56.52 1x5h s VAL 123 Cb -0.03 -3.43 0.23 0.00 0.56 0.00 0.00 36.38 33.70 1x5h s VAL 123 CO 0.03 -0.96 0.81 -0.81 -0.31 0.00 0.00 175.10 173.86 1x5h n PRO 124 N 2.88 -2.63 -1.28 4.82 -0.04 -1.26 -5.02 135.00 132.47 1x5h n PRO 124 Ca 0.14 -1.30 -0.31 0.00 -0.04 0.00 0.00 63.50 61.99 1x5h n PRO 124 Cb 0.37 -1.22 0.10 0.00 -0.04 0.00 0.00 33.50 32.70 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 -4.85 2.03 0.04 0.54 2.12 -1.26 -5.06 118.70 112.26 1x5h s GLU 125 Ca 0.53 1.03 0.05 0.00 0.36 0.00 0.00 54.97 56.94 1x5h s GLU 125 Cb -0.05 -1.88 -0.04 0.00 0.26 0.00 0.00 34.13 32.42 1x5h s GLU 125 CO 0.41 -1.77 -0.09 0.54 -0.54 0.00 0.00 175.26 173.81 1x5h s VAL 126 N -2.94 3.48 0.30 3.70 0.11 -1.26 -5.13 120.40 118.66 1x5h s VAL 126 Ca 0.61 -0.97 0.04 0.00 -2.93 0.00 0.00 61.98 58.73 1x5h s VAL 126 Cb -0.17 -2.54 -0.04 0.00 -1.53 0.00 0.00 36.38 32.10 1x5h s VAL 126 CO 0.56 0.30 0.18 -0.44 -3.33 0.00 0.00 175.10 172.38 1x5h s SER 127 N -1.67 1.38 -0.45 3.54 0.01 -1.26 -5.13 113.70 110.12 1x5h s SER 127 Ca 0.18 -1.58 0.03 0.00 1.31 0.00 0.00 55.95 55.89 1x5h s SER 127 Cb -0.11 0.43 0.16 0.00 0.21 0.00 0.00 66.02 66.71 1x5h s SER 127 CO 0.09 -0.93 0.33 -0.83 0.41 0.00 0.00 173.24 172.31 1x5h s GLY 128 N -3.34 1.50 0.77 3.44 0.00 -1.26 -5.13 107.32 103.30 1x5h s GLY 128 Ca 0.37 -2.60 -0.13 0.00 0.00 0.00 0.00 44.72 42.36 1x5h s GLY 128 CO 0.19 1.86 0.68 -1.55 0.00 0.00 0.00 173.10 174.28 1x5h n PRO 129 N 3.02 -2.37 -4.14 2.90 -0.04 -1.26 -5.10 135.00 128.02 1x5h n PRO 129 Ca 0.22 -1.09 -0.10 0.00 -0.04 0.00 0.00 63.50 62.48 1x5h n PRO 129 Cb 0.42 -1.03 -0.10 0.00 -0.04 0.00 0.00 33.50 32.75 1x5h n PRO 129 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x5h s SER 130 N -3.35 0.24 0.33 3.54 0.15 -1.26 -5.18 113.70 108.17 1x5h s SER 130 Ca 0.44 -1.21 0.05 0.00 0.70 0.00 0.00 55.95 55.94 1x5h s SER 130 Cb -0.04 0.33 -0.03 0.00 -1.71 0.00 0.00 66.02 64.57 1x5h s SER 130 CO 0.34 -0.78 0.21 -0.55 1.20 0.00 0.00 173.24 173.67 1x5h s SER 131 N -3.06 1.80 0.00 5.45 0.15 -1.26 -5.36 113.70 111.42 1x5h s SER 131 Ca 0.27 -1.68 0.00 0.00 0.70 0.00 0.00 55.95 55.24 1x5h s SER 131 Cb 0.07 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.89 1x5h s SER 131 CO 0.04 -0.99 0.00 0.61 1.20 0.00 0.00 173.24 174.10