#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 -0.05 -0.19 1.61 0.01 -1.26 -5.19 113.70 108.64 1x5h s SER 2 Ca 0.00 -0.38 -0.29 0.00 1.31 0.00 0.00 55.95 56.59 1x5h s SER 2 Cb 0.00 0.34 0.12 0.00 0.21 0.00 0.00 66.02 66.69 1x5h s SER 2 CO 0.00 -0.66 0.99 -0.94 0.41 0.00 0.00 173.24 173.04 1x5h s SER 3 N -3.27 -0.41 0.00 2.44 1.04 -1.26 -5.18 113.70 107.07 1x5h s SER 3 Ca 0.19 0.55 0.00 0.00 0.48 0.00 0.00 55.95 57.17 1x5h s SER 3 Cb 0.00 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.59 1x5h s SER 3 CO 0.01 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 174.53 1x5h n GLY 4 N 1.13 1.95 3.63 7.32 0.00 -1.26 -5.17 105.19 112.80 1x5h n GLY 4 Ca -0.11 -1.82 -0.06 0.00 0.00 0.00 0.00 46.02 44.03 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 0.00 -0.27 0.27 1.61 0.01 -1.26 -5.19 113.70 108.87 1x5h s SER 5 Ca 0.00 -0.21 -0.15 0.00 1.31 0.00 0.00 55.95 56.90 1x5h s SER 5 Cb 0.00 0.45 0.01 0.00 0.21 0.00 0.00 66.02 66.68 1x5h s SER 5 CO 0.00 -0.78 0.57 -0.44 0.41 0.00 0.00 173.24 173.00 1x5h s SER 6 N -2.73 -0.08 0.51 2.44 0.01 -1.26 -5.19 113.70 107.40 1x5h s SER 6 Ca 0.09 -0.88 0.01 0.00 1.31 0.00 0.00 55.95 56.48 1x5h s SER 6 Cb -0.01 0.65 -0.01 0.00 0.21 0.00 0.00 66.02 66.86 1x5h s SER 6 CO -0.03 -1.25 0.04 -0.83 0.41 0.00 0.00 173.24 171.58 1x5h s GLY 7 N -3.00 2.98 0.06 3.44 0.00 -1.26 -5.16 107.32 104.37 1x5h s GLY 7 Ca 0.19 -0.43 -0.10 0.00 0.00 0.00 0.00 44.72 44.38 1x5h s GLY 7 CO 0.09 -2.18 0.22 0.51 0.00 0.00 0.00 173.10 171.74 1x5h s ASP 8 N -3.92 0.03 -0.01 1.64 1.47 -1.26 -5.17 116.67 109.45 1x5h s ASP 8 Ca 0.08 -0.42 0.02 0.00 1.18 0.00 0.00 52.55 53.41 1x5h s ASP 8 Cb 0.01 0.32 -0.01 0.00 -0.34 0.00 0.00 42.92 42.91 1x5h s ASP 8 CO 0.04 -0.63 -0.08 -0.69 0.68 0.00 0.00 175.17 174.50 1x5h s VAL 9 N -3.00 0.60 -0.07 2.11 1.01 -1.26 -5.15 120.40 114.64 1x5h s VAL 9 Ca -0.02 -0.33 -0.04 0.00 0.00 0.00 0.00 61.98 61.59 1x5h s VAL 9 Cb 0.01 -0.51 0.03 0.00 0.00 0.00 0.00 36.38 35.92 1x5h s VAL 9 CO -0.06 0.17 0.18 0.00 0.00 0.00 0.00 175.10 175.38 1x5h s ALA 10 N -0.18 -0.38 0.58 5.51 0.00 -1.26 -5.15 121.76 120.88 1x5h s ALA 10 Ca 0.03 0.69 -0.19 0.00 0.00 0.00 0.00 51.96 52.49 1x5h s ALA 10 Cb -0.03 -0.44 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 1x5h s ALA 10 CO -0.00 -0.14 1.22 0.08 0.00 0.00 0.00 175.76 176.91 1x5h s VAL 11 N 0.84 2.59 -0.03 0.00 1.01 -1.26 -4.96 120.40 118.59 1x5h s VAL 11 Ca -0.06 0.38 0.01 0.00 0.00 0.00 0.00 61.98 62.31 1x5h s VAL 11 Cb -0.08 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 1x5h s VAL 11 CO -0.05 -0.07 -0.01 -2.11 0.00 0.00 0.00 175.10 172.86 1x5h n ARG 12 N -1.51 1.46 -1.73 2.72 1.85 -1.26 -5.04 116.66 113.16 1x5h n ARG 12 Ca 0.13 0.01 -0.42 0.00 -1.00 0.00 0.00 57.85 56.57 1x5h n ARG 12 Cb 0.49 -1.07 -0.01 0.00 -1.05 0.00 0.00 32.46 30.82 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 -2.40 1.69 -0.07 8.89 -1.04 -1.26 -4.90 114.28 115.19 1x5h n THR 13 Ca -0.05 -0.42 -0.07 0.00 -2.04 0.00 0.00 64.05 61.46 1x5h n THR 13 Cb 0.57 -1.78 -0.01 0.00 -1.82 0.00 0.00 70.33 67.30 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 3.32 -0.50 -1.74 -4.42 4.07 -2.02 -3.45 115.31 110.57 1x5h h LEU 14 Ca -0.48 0.11 -0.62 0.00 0.08 0.00 0.00 57.88 56.98 1x5h h LEU 14 Cb 1.26 0.27 -0.28 0.00 1.08 0.00 0.00 40.66 42.99 1x5h h LEU 14 CO 0.68 -0.19 -0.94 -1.20 -1.08 0.00 0.00 178.44 175.71 1x5h n SER 15 N -5.32 -0.19 -0.24 -0.43 7.64 -1.26 -4.71 113.62 109.11 1x5h n SER 15 Ca -0.00 -1.26 0.17 0.00 1.01 0.00 0.00 58.87 58.79 1x5h n SER 15 Cb 0.23 -1.63 0.32 0.00 -1.01 0.00 0.00 64.21 62.12 1x5h n SER 15 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1x5h n ASP 16 N -2.72 0.08 -4.67 6.43 5.75 -1.26 -4.40 116.55 115.77 1x5h n ASP 16 Ca -0.15 1.21 -0.35 0.00 -0.01 0.00 0.00 54.79 55.49 1x5h n ASP 16 Cb 0.60 -0.51 0.10 0.00 -1.03 0.00 0.00 41.12 40.28 1x5h n ASP 16 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 1x5h n VAL 17 N -4.81 2.84 -2.13 2.12 0.24 -1.26 -4.87 118.33 110.46 1x5h n VAL 17 Ca 0.22 -0.32 -0.35 0.00 -2.04 0.00 0.00 64.34 61.86 1x5h n VAL 17 Cb 0.74 -1.21 0.01 0.00 -1.47 0.00 0.00 33.84 31.91 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 -3.69 3.21 -0.31 7.34 0.04 -1.26 -4.99 135.00 135.35 1x5h s PRO 18 Ca 0.75 1.56 0.11 0.00 0.04 0.00 0.00 61.00 63.46 1x5h s PRO 18 Cb -0.33 -1.99 0.47 0.00 0.04 0.00 0.00 34.50 32.69 1x5h s PRO 18 CO 0.49 -0.95 1.14 -1.13 0.04 0.00 0.00 177.00 176.59 1x5h n SER 19 N -1.58 3.86 -3.90 6.66 3.41 -1.26 -4.14 113.62 116.67 1x5h n SER 19 Ca 0.11 -3.26 -0.18 0.00 -0.26 0.00 0.00 58.87 55.28 1x5h n SER 19 Cb 0.51 -0.40 -0.16 0.00 -0.26 0.00 0.00 64.21 63.90 1x5h n SER 19 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x5h s ALA 20 N -3.61 0.52 0.31 7.33 0.00 -1.26 -4.98 121.76 120.07 1x5h s ALA 20 Ca 0.43 -0.06 0.10 0.00 0.00 0.00 0.00 51.96 52.42 1x5h s ALA 20 Cb 0.39 -0.29 -0.05 0.00 0.00 0.00 0.00 23.12 23.17 1x5h s ALA 20 CO -0.01 0.02 -0.02 0.00 0.00 0.00 0.00 175.76 175.75 1x5h s ALA 21 N 0.57 3.13 0.20 0.00 0.00 -1.26 -4.35 121.76 120.05 1x5h s ALA 21 Ca -0.07 -1.86 -0.30 0.00 0.00 0.00 0.00 51.96 49.73 1x5h s ALA 21 Cb -0.10 -0.48 -0.09 0.00 0.00 0.00 0.00 23.12 22.45 1x5h s ALA 21 CO -0.00 0.15 1.30 -1.25 0.00 0.00 0.00 175.76 175.96 1x5h s PRO 22 N -3.68 4.39 0.32 0.00 0.04 -1.26 -4.21 135.00 130.60 1x5h s PRO 22 Ca 0.33 2.04 0.03 0.00 0.04 0.00 0.00 61.00 63.45 1x5h s PRO 22 Cb -0.03 -3.20 0.06 0.00 0.04 0.00 0.00 34.50 31.37 1x5h s PRO 22 CO 0.19 -0.25 0.44 0.00 0.04 0.00 0.00 177.00 177.42 1x5h n GLN 23 N 2.63 0.63 -4.19 4.56 10.64 -0.84 -4.60 117.38 126.21 1x5h n GLN 23 Ca 0.06 -1.52 -0.29 0.00 -1.83 0.00 0.00 57.00 53.41 1x5h n GLN 23 Cb 0.43 -0.19 -0.07 0.00 -0.86 0.00 0.00 30.24 29.55 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 -2.75 0.26 -4.78 2.61 3.02 -1.26 -1.71 115.26 110.65 1x5h n ASN 24 Ca 0.08 -1.17 -0.34 0.00 -0.03 0.00 0.00 54.58 53.12 1x5h n ASN 24 Cb 0.30 -2.17 0.01 0.00 -0.61 0.00 0.00 39.78 37.32 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 -7.22 3.62 0.10 3.41 2.96 -1.26 -4.18 118.68 116.11 1x5h s LEU 25 Ca 0.05 2.06 -0.25 0.00 -0.22 0.00 0.00 54.13 55.77 1x5h s LEU 25 Cb -0.03 -4.56 0.08 0.00 0.50 0.00 0.00 46.19 42.17 1x5h s LEU 25 CO 0.96 -1.30 0.74 -0.44 -1.32 0.00 0.00 176.35 175.00 1x5h s SER 26 N -2.16 -0.44 -0.29 3.68 0.01 0.17 -4.97 113.70 109.70 1x5h s SER 26 Ca 0.69 -0.07 -0.01 0.00 1.31 0.00 0.00 55.95 57.87 1x5h s SER 26 Cb -0.21 0.52 0.09 0.00 0.21 0.00 0.00 66.02 66.63 1x5h s SER 26 CO 0.32 -0.85 0.09 -0.76 0.41 0.00 0.00 173.24 172.44 1x5h s LEU 27 N -2.67 1.87 -0.95 2.44 1.43 -1.26 -0.28 118.68 119.25 1x5h s LEU 27 Ca 0.04 -1.45 -0.22 0.00 -1.03 0.00 0.00 54.13 51.46 1x5h s LEU 27 Cb -0.01 -0.77 0.07 0.00 0.03 0.00 0.00 46.19 45.51 1x5h s LEU 27 CO -0.09 -0.40 1.33 -0.70 0.23 0.00 0.00 176.35 176.73 1x5h s GLU 28 N 1.71 3.53 -0.77 1.70 2.12 0.26 -4.90 118.70 122.35 1x5h s GLU 28 Ca 0.08 -1.17 -0.26 0.00 0.36 0.00 0.00 54.97 53.98 1x5h s GLU 28 Cb -0.17 -5.09 -0.14 0.00 0.26 0.00 0.00 34.13 28.99 1x5h s GLU 28 CO -0.23 -2.08 2.42 0.28 -0.54 0.00 0.00 175.26 175.10 1x5h n VAL 29 N 6.47 -0.01 0.25 3.70 0.31 -1.26 -1.42 118.33 126.36 1x5h n VAL 29 Ca 0.26 -0.52 -0.16 0.00 -0.01 0.00 0.00 64.34 63.92 1x5h n VAL 29 Cb 0.50 -2.04 -0.08 0.00 -0.91 0.00 0.00 33.84 31.31 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 13.10 -0.55 0.00 5.55 2.47 -1.86 -3.47 114.38 129.62 1x5h h ARG 30 Ca -0.01 0.04 -0.30 0.00 -1.26 0.00 0.00 59.98 58.45 1x5h h ARG 30 Cb 1.02 0.12 -0.07 0.00 -1.65 0.00 0.00 29.97 29.39 1x5h h ARG 30 CO 1.01 -0.35 -0.27 0.09 0.56 0.00 0.00 179.97 181.01 1x5h n ASN 31 N -5.33 0.23 0.12 7.04 3.02 -0.26 -4.99 115.26 115.09 1x5h n ASN 31 Ca -0.11 -2.27 -0.02 0.00 -0.03 0.00 0.00 54.58 52.15 1x5h n ASN 31 Cb 0.25 0.81 0.10 0.00 -0.61 0.00 0.00 39.78 40.34 1x5h n ASN 31 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1x5h h SER 32 N 1.09 0.00 0.00 6.41 4.64 -1.90 -3.24 113.55 120.55 1x5h h SER 32 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1x5h h SER 32 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1x5h h SER 32 CO 0.24 0.69 -1.49 2.29 -0.87 0.00 0.00 176.83 177.69 1x5h n LYS 33 N -3.63 0.76 -5.01 4.77 2.85 -1.26 -3.63 118.16 113.01 1x5h n LYS 33 Ca -0.01 -0.11 -0.32 0.00 -1.05 0.00 0.00 58.31 56.82 1x5h n LYS 33 Cb 0.70 -1.40 -0.14 0.00 -0.65 0.00 0.00 35.03 33.54 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 -3.61 3.74 -0.21 -5.58 1.04 -1.22 -0.22 113.70 107.64 1x5h s SER 34 Ca -0.02 -0.28 -0.03 0.00 0.48 0.00 0.00 55.95 56.10 1x5h s SER 34 Cb 0.12 -0.71 0.07 0.00 0.10 0.00 0.00 66.02 65.60 1x5h s SER 34 CO 0.75 0.34 0.07 -0.63 0.98 0.00 0.00 173.24 174.75 1x5h s ILE 35 N -0.68 0.29 0.24 -1.02 1.01 0.11 -1.11 121.20 120.04 1x5h s ILE 35 Ca 0.11 -0.56 -0.30 0.00 0.00 0.00 0.00 60.65 59.90 1x5h s ILE 35 Cb -0.10 -0.95 -0.09 0.00 0.01 0.00 0.00 42.46 41.32 1x5h s ILE 35 CO 0.00 -0.36 0.97 -0.32 0.00 0.00 0.00 174.94 175.23 1x5h s MET 36 N 1.95 4.82 -0.04 2.79 -2.45 -0.51 -2.42 119.30 123.45 1x5h s MET 36 Ca 0.02 1.54 0.00 0.00 -1.25 0.00 0.00 55.69 56.01 1x5h s MET 36 Cb -0.17 -3.27 -0.03 0.00 1.25 0.00 0.00 34.83 32.61 1x5h s MET 36 CO -0.14 0.47 -0.01 0.42 1.05 0.00 0.00 175.02 176.81 1x5h s ILE 37 N -1.16 4.15 -0.13 10.11 1.01 0.22 0.93 121.20 136.33 1x5h s ILE 37 Ca 0.42 -0.47 -0.02 0.00 0.00 0.00 0.00 60.65 60.58 1x5h s ILE 37 Cb -0.27 -2.79 0.04 0.00 0.01 0.00 0.00 42.46 39.45 1x5h s ILE 37 CO 0.33 0.48 -0.00 -1.00 0.00 0.00 0.00 174.94 174.75 1x5h s HIS 38 N -0.98 1.00 0.20 3.97 3.76 0.61 -2.67 115.29 121.18 1x5h s HIS 38 Ca 0.17 -0.57 0.03 0.00 -0.15 0.00 0.00 55.06 54.53 1x5h s HIS 38 Cb -0.11 -0.98 -0.05 0.00 1.11 0.00 0.00 32.58 32.54 1x5h s HIS 38 CO 0.06 -0.48 -0.01 1.67 -0.85 0.00 0.00 174.74 175.13 1x5h s TRP 39 N 1.87 1.42 0.17 1.40 -2.14 -1.22 0.44 118.94 120.87 1x5h s TRP 39 Ca 0.02 -0.93 0.10 0.00 2.66 0.00 0.00 56.10 57.96 1x5h s TRP 39 Cb -0.14 -0.81 -0.04 0.00 -3.10 0.00 0.00 33.47 29.38 1x5h s TRP 39 CO -0.07 -0.08 -0.21 -0.65 -2.66 0.00 0.00 176.95 173.29 1x5h s GLN 40 N -3.86 1.64 0.37 3.25 -1.52 -0.70 -4.80 119.66 114.05 1x5h s GLN 40 Ca 0.26 -1.39 -0.26 0.00 -1.95 0.00 0.00 55.36 52.01 1x5h s GLN 40 Cb 0.05 -1.96 -0.09 0.00 -0.22 0.00 0.00 33.01 30.80 1x5h s GLN 40 CO 0.06 0.43 1.20 -1.25 -0.25 0.00 0.00 175.29 175.48 1x5h s PRO 41 N -2.51 4.17 1.04 2.91 0.04 -1.26 -1.99 135.00 137.40 1x5h s PRO 41 Ca 0.20 1.94 -0.13 0.00 0.04 0.00 0.00 61.00 63.04 1x5h s PRO 41 Cb -0.09 -2.82 0.21 0.00 0.04 0.00 0.00 34.50 31.84 1x5h s PRO 41 CO 0.10 -0.25 1.09 -1.25 0.04 0.00 0.00 177.00 176.74 1x5h s PRO 42 N -2.10 0.08 0.55 0.56 0.04 -1.26 -4.55 135.00 128.33 1x5h s PRO 42 Ca 0.54 0.41 -0.20 0.00 0.04 0.00 0.00 61.00 61.79 1x5h s PRO 42 Cb -0.33 -1.71 -0.06 0.00 0.04 0.00 0.00 34.50 32.44 1x5h s PRO 42 CO 0.43 -2.94 1.00 0.00 0.04 0.00 0.00 177.00 175.52 1x5h n ALA 43 N -4.30 0.28 0.16 8.56 0.00 -1.26 -4.90 120.51 119.05 1x5h n ALA 43 Ca 0.06 0.07 0.01 0.00 0.00 0.00 0.00 53.44 53.57 1x5h n ALA 43 Cb 0.58 -2.12 0.27 0.00 0.00 0.00 0.00 19.45 18.17 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 0.82 0.01 0.15 0.00 0.13 -1.96 -2.88 132.00 128.27 1x5h h PRO 44 Ca -0.48 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 1x5h h PRO 44 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1x5h h PRO 44 CO 0.53 0.50 -0.07 0.00 -0.23 0.00 0.00 178.00 178.72 1x5h h ALA 45 N 1.50 -0.20 -0.87 -0.56 0.00 -2.04 -3.20 119.26 113.89 1x5h h ALA 45 Ca -0.00 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 54.77 1x5h h ALA 45 Cb 0.87 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 1x5h h ALA 45 CO 0.06 -0.39 0.56 1.79 0.00 0.00 0.00 179.25 181.28 1x5h h THR 46 N -0.66 1.01 -1.20 0.00 1.35 -1.94 -3.44 112.91 108.03 1x5h h THR 46 Ca -0.02 -0.32 -0.62 0.00 -0.55 0.00 0.00 66.41 64.90 1x5h h THR 46 Cb 0.49 0.01 0.12 0.00 -1.73 0.00 0.00 68.15 67.05 1x5h h THR 46 CO 0.03 0.17 -0.66 0.00 -0.25 0.00 0.00 175.52 174.82 1x5h n GLN 47 N -4.51 0.00 -1.65 4.72 6.02 -1.09 -4.69 117.38 116.18 1x5h n GLN 47 Ca 0.14 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 57.06 1x5h n GLN 47 Cb 0.25 -0.95 0.08 0.00 1.02 0.00 0.00 30.24 30.64 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 2.03 2.90 0.00 1.08 3.02 -1.26 -5.05 115.26 117.98 1x5h n ASN 48 Ca 0.15 -3.30 0.00 0.00 -0.03 0.00 0.00 54.58 51.39 1x5h n ASN 48 Cb 0.29 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 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 -0.67 1.81 3.74 7.41 0.00 -1.26 -4.82 105.19 111.41 1x5h n GLY 49 Ca 0.26 -1.92 -0.41 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.38 4.43 -0.20 1.61 -2.07 -1.26 -4.98 119.66 115.81 1x5h s GLN 50 Ca 0.00 2.01 -0.28 0.00 -1.82 0.00 0.00 55.36 55.26 1x5h s GLN 50 Cb 0.00 -3.19 0.00 0.00 -1.09 0.00 0.00 33.01 28.73 1x5h s GLN 50 CO 0.00 -0.16 0.99 0.42 -1.32 0.00 0.00 175.29 175.22 1x5h s ILE 51 N -0.18 4.73 -0.11 3.63 1.01 -1.26 -3.90 121.20 125.12 1x5h s ILE 51 Ca 0.54 1.95 -0.18 0.00 0.00 0.00 0.00 60.65 62.96 1x5h s ILE 51 Cb -0.36 -4.28 -0.27 0.00 0.01 0.00 0.00 42.46 37.57 1x5h s ILE 51 CO 0.40 -0.12 0.59 0.71 0.00 0.00 0.00 174.94 176.52 1x5h h THR 52 N 5.36 1.14 -2.50 2.92 1.35 -0.97 -3.43 112.91 116.78 1x5h h THR 52 Ca -0.23 -2.40 0.13 0.00 -0.55 0.00 0.00 66.41 63.37 1x5h h THR 52 Cb 1.09 2.79 -0.09 0.00 -1.73 0.00 0.00 68.15 70.20 1x5h h THR 52 CO 0.93 0.67 0.42 -0.83 -0.25 0.00 0.00 175.52 176.46 1x5h s GLY 53 N -4.83 -0.28 -0.15 5.82 0.00 -1.22 -1.19 107.32 105.48 1x5h s GLY 53 Ca -0.20 0.23 -0.02 0.00 0.00 0.00 0.00 44.72 44.74 1x5h s GLY 53 CO 0.76 0.06 -0.09 -0.19 0.00 0.00 0.00 173.10 173.63 1x5h s TYR 54 N -3.41 2.90 -0.18 1.90 2.02 -1.19 0.12 117.35 119.51 1x5h s TYR 54 Ca 0.10 -0.54 -0.18 0.00 -0.37 0.00 0.00 57.07 56.08 1x5h s TYR 54 Cb -0.02 -1.91 -0.04 0.00 -0.40 0.00 0.00 41.96 39.60 1x5h s TYR 54 CO -0.00 -0.17 0.48 0.21 -1.57 0.00 0.00 175.55 174.49 1x5h s LYS 55 N 0.44 4.23 -0.15 -0.62 2.47 0.31 -2.71 119.74 123.71 1x5h s LYS 55 Ca -0.07 0.37 0.01 0.00 -1.56 0.00 0.00 55.97 54.72 1x5h s LYS 55 Cb -0.15 -3.52 0.02 0.00 -1.46 0.00 0.00 37.83 32.72 1x5h s LYS 55 CO 0.04 -0.03 -0.16 0.42 0.16 0.00 0.00 175.35 175.78 1x5h s ILE 56 N 1.25 1.70 0.17 5.43 1.01 -0.58 0.16 121.20 130.33 1x5h s ILE 56 Ca 0.23 -0.72 0.11 0.00 0.00 0.00 0.00 60.65 60.27 1x5h s ILE 56 Cb -0.15 -1.56 -0.04 0.00 0.01 0.00 0.00 42.46 40.71 1x5h s ILE 56 CO 0.09 0.48 -0.23 -0.13 0.00 0.00 0.00 174.94 175.15 1x5h s ARG 57 N 1.31 1.55 -0.22 2.79 1.81 -0.52 -1.30 118.95 124.37 1x5h s ARG 57 Ca 0.02 -1.42 -0.21 0.00 -1.72 0.00 0.00 55.73 52.39 1x5h s ARG 57 Cb -0.13 -1.91 0.06 0.00 -0.45 0.00 0.00 34.95 32.51 1x5h s ARG 57 CO -0.09 0.42 0.61 1.52 -0.68 0.00 0.00 175.30 177.08 1x5h s TYR 58 N -1.44 -0.66 0.30 -0.53 1.13 -1.17 -0.98 117.35 113.99 1x5h s TYR 58 Ca 0.19 1.59 0.03 0.00 -1.41 0.00 0.00 57.07 57.47 1x5h s TYR 58 Cb -0.09 0.23 -0.04 0.00 -1.10 0.00 0.00 41.96 40.97 1x5h s TYR 58 CO 0.09 -0.33 0.16 -0.98 -2.51 0.00 0.00 175.55 171.98 1x5h s ARG 59 N 0.24 1.58 0.11 -3.49 1.70 -0.98 -1.90 118.95 116.21 1x5h s ARG 59 Ca -0.01 -1.90 -0.20 0.00 -0.47 0.00 0.00 55.73 53.15 1x5h s ARG 59 Cb -0.04 -0.05 -0.07 0.00 -0.57 0.00 0.00 34.95 34.21 1x5h s ARG 59 CO 0.01 -0.46 0.62 0.15 -1.08 0.00 0.00 175.30 174.55 1x5h s LYS 60 N -3.82 4.26 0.18 3.89 1.02 -1.24 -1.53 119.74 122.51 1x5h s LYS 60 Ca 0.36 0.81 -0.11 0.00 0.02 0.00 0.00 55.97 57.05 1x5h s LYS 60 Cb 0.05 -3.18 0.09 0.00 -0.52 0.00 0.00 37.83 34.27 1x5h s LYS 60 CO 0.18 0.59 1.76 0.00 -0.92 0.00 0.00 175.35 176.95 1x5h h ALA 61 N 4.29 0.82 0.29 5.17 0.00 -1.90 0.65 119.26 128.58 1x5h h ALA 61 Ca -0.49 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 1x5h h ALA 61 Cb 1.21 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1x5h h ALA 61 CO 0.64 0.40 -0.14 1.03 0.00 0.00 0.00 179.25 181.18 1x5h h SER 62 N 0.88 -0.33 -0.38 0.00 0.87 -1.94 -3.34 113.55 109.31 1x5h h SER 62 Ca 0.22 -0.02 0.02 0.00 -1.23 0.00 0.00 61.79 60.78 1x5h h SER 62 Cb 0.14 0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.16 1x5h h SER 62 CO -0.02 0.13 0.20 -0.09 -0.53 0.00 0.00 176.83 176.52 1x5h h ARG 63 N -1.09 0.40 -3.23 2.24 9.65 -1.97 -3.45 114.38 116.93 1x5h h ARG 63 Ca -0.04 -0.02 -0.08 0.00 -1.10 0.00 0.00 59.98 58.73 1x5h h ARG 63 Cb 0.33 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.80 1x5h h ARG 63 CO 0.06 0.26 -0.09 1.63 2.80 0.00 0.00 179.97 184.64 1x5h n LYS 64 N -4.91 -1.93 0.00 0.20 4.76 0.23 -4.51 118.16 112.00 1x5h n LYS 64 Ca 0.01 0.22 0.00 0.00 -2.87 0.00 0.00 58.31 55.67 1x5h n LYS 64 Cb 0.08 -4.54 0.00 0.00 -1.84 0.00 0.00 35.03 28.73 1x5h n LYS 64 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1x5h n SER 65 N -0.56 1.68 -4.51 4.39 7.64 -1.26 -5.00 113.62 116.00 1x5h n SER 65 Ca -0.05 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.41 1x5h n SER 65 Cb 0.34 0.12 -0.07 0.00 -1.01 0.00 0.00 64.21 63.59 1x5h n SER 65 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1x5h s ASP 66 N -2.22 6.29 0.17 6.43 2.15 -1.26 -5.05 116.67 123.18 1x5h s ASP 66 Ca 0.00 -0.39 0.11 0.00 0.43 0.00 0.00 52.55 52.70 1x5h s ASP 66 Cb 0.00 -2.29 -0.04 0.00 -0.30 0.00 0.00 42.92 40.29 1x5h s ASP 66 CO 0.00 -0.68 -0.24 -0.69 -0.17 0.00 0.00 175.17 173.39 1x5h s VAL 67 N 2.56 2.24 -0.04 1.11 1.01 -1.26 -3.60 120.40 122.42 1x5h s VAL 67 Ca 0.19 -1.95 0.06 0.00 0.00 0.00 0.00 61.98 60.28 1x5h s VAL 67 Cb -0.15 -2.04 -0.01 0.00 0.00 0.00 0.00 36.38 34.18 1x5h s VAL 67 CO 0.17 -0.10 -0.21 -0.89 0.00 0.00 0.00 175.10 174.06 1x5h s THR 68 N -1.59 1.70 0.07 3.92 2.01 -0.80 -4.99 115.64 115.96 1x5h s THR 68 Ca 0.18 -0.88 -0.10 0.00 0.31 0.00 0.00 61.69 61.20 1x5h s THR 68 Cb -0.08 -1.43 -0.06 0.00 0.01 0.00 0.00 72.50 70.94 1x5h s THR 68 CO 0.08 0.48 0.39 -0.70 -0.69 0.00 0.00 174.62 174.19 1x5h s GLU 69 N -0.20 3.76 -0.02 4.92 -6.30 -1.26 -3.07 118.70 116.53 1x5h s GLU 69 Ca 0.00 0.18 0.00 0.00 -2.50 0.00 0.00 54.97 52.66 1x5h s GLU 69 Cb -0.11 -3.02 0.02 0.00 0.00 0.00 0.00 34.13 31.02 1x5h s GLU 69 CO 0.02 0.58 0.00 0.99 0.02 0.00 0.00 175.26 176.87 1x5h s THR 70 N -1.36 0.11 -0.12 -1.70 2.01 -0.42 -5.02 115.64 109.15 1x5h s THR 70 Ca 0.32 0.08 0.02 0.00 0.31 0.00 0.00 61.69 62.42 1x5h s THR 70 Cb -0.14 -0.20 -0.01 0.00 0.01 0.00 0.00 72.50 72.16 1x5h s THR 70 CO 0.17 0.11 -0.18 -0.22 -0.69 0.00 0.00 174.62 173.82 1x5h s LEU 71 N 0.80 2.46 0.36 4.42 1.98 -1.26 -1.53 118.68 125.90 1x5h s LEU 71 Ca -0.08 -0.42 0.06 0.00 -2.89 0.00 0.00 54.13 50.80 1x5h s LEU 71 Cb -0.11 -1.53 -0.07 0.00 0.66 0.00 0.00 46.19 45.15 1x5h s LEU 71 CO -0.02 0.17 0.02 0.68 -1.89 0.00 0.00 176.35 175.31 1x5h s VAL 72 N 0.32 1.64 0.65 1.68 -7.23 -1.10 -5.02 120.40 111.35 1x5h s VAL 72 Ca -0.14 -2.02 -0.15 0.00 -1.81 0.00 0.00 61.98 57.85 1x5h s VAL 72 Cb -0.17 -2.84 -0.00 0.00 0.56 0.00 0.00 36.38 33.93 1x5h s VAL 72 CO 0.07 -0.04 1.12 -0.44 -0.31 0.00 0.00 175.10 175.50 1x5h s SER 73 N -3.59 5.10 0.12 4.85 0.01 -1.26 -3.20 113.70 115.73 1x5h s SER 73 Ca 0.35 2.04 -0.21 0.00 1.31 0.00 0.00 55.95 59.43 1x5h s SER 73 Cb 0.08 -2.56 -0.06 0.00 0.21 0.00 0.00 66.02 63.70 1x5h s SER 73 CO 0.16 -1.64 1.71 1.23 0.41 0.00 0.00 173.24 175.11 1x5h h GLY 74 N 0.11 0.06 -2.67 3.44 0.00 -1.41 -1.82 103.07 100.78 1x5h h GLY 74 Ca -0.47 0.07 -0.10 0.00 0.00 0.00 0.00 47.33 46.83 1x5h h GLY 74 CO 0.54 -0.08 0.13 -0.37 0.00 0.00 0.00 176.54 176.77 1x5h n THR 75 N -5.19 1.73 -3.99 4.70 5.66 -1.26 -4.74 114.28 111.19 1x5h n THR 75 Ca -0.04 -0.56 -0.33 0.00 -3.05 0.00 0.00 64.05 60.07 1x5h n THR 75 Cb 0.12 -1.11 -0.14 0.00 -1.55 0.00 0.00 70.33 67.65 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 -0.62 2.21 -0.45 1.09 0.74 -0.68 -4.97 119.66 116.98 1x5h s GLN 76 Ca 0.11 -1.40 0.04 0.00 0.05 0.00 0.00 55.36 54.15 1x5h s GLN 76 Cb 0.09 -3.06 0.62 0.00 1.10 0.00 0.00 33.01 31.76 1x5h s GLN 76 CO 0.01 -0.65 1.86 1.28 -0.55 0.00 0.00 175.29 177.24 1x5h n LEU 77 N 4.49 6.48 -3.46 3.68 4.77 -1.26 -4.79 117.00 126.90 1x5h n LEU 77 Ca -0.11 -3.73 -0.12 0.00 -0.03 0.00 0.00 56.01 52.02 1x5h n LEU 77 Cb 0.42 -0.82 -0.02 0.00 -2.33 0.00 0.00 43.42 40.67 1x5h n LEU 77 CO 0.24 1.15 0.39 -0.94 -1.33 0.00 0.00 177.39 176.89 1x5h s SER 78 N -1.57 -0.53 -0.02 -1.43 1.04 -1.26 -3.39 113.70 106.54 1x5h s SER 78 Ca 0.56 -0.05 -0.29 0.00 0.48 0.00 0.00 55.95 56.65 1x5h s SER 78 Cb 0.47 0.60 0.08 0.00 0.10 0.00 0.00 66.02 67.28 1x5h s SER 78 CO 0.08 -0.98 0.75 -1.58 0.98 0.00 0.00 173.24 172.48 1x5h s GLN 79 N -3.76 0.99 -0.25 4.02 2.00 -1.09 -4.97 119.66 116.60 1x5h s GLN 79 Ca 0.02 -0.00 0.03 0.00 -2.00 0.00 0.00 55.36 53.40 1x5h s GLN 79 Cb -0.01 0.46 0.06 0.00 0.80 0.00 0.00 33.01 34.32 1x5h s GLN 79 CO -0.12 -0.36 -0.11 -1.17 -0.50 0.00 0.00 175.29 173.03 1x5h s LEU 80 N -1.70 3.22 -0.49 3.68 2.96 -1.26 -0.61 118.68 124.49 1x5h s LEU 80 Ca -0.04 -1.31 -0.17 0.00 -0.22 0.00 0.00 54.13 52.39 1x5h s LEU 80 Cb -0.00 -1.49 0.07 0.00 0.50 0.00 0.00 46.19 45.27 1x5h s LEU 80 CO 0.01 -0.18 0.47 -0.63 -1.32 0.00 0.00 176.35 174.70 1x5h s ILE 81 N 1.16 5.12 0.30 6.68 -1.09 -1.02 -4.94 121.20 127.41 1x5h s ILE 81 Ca -0.07 -0.90 0.06 0.00 -2.23 0.00 0.00 60.65 57.51 1x5h s ILE 81 Cb -0.19 -4.19 -0.02 0.00 -1.58 0.00 0.00 42.46 36.48 1x5h s ILE 81 CO -0.06 -0.66 0.37 -1.61 -1.23 0.00 0.00 174.94 171.75 1x5h s GLU 82 N 1.95 3.07 0.00 2.79 2.02 -1.26 -0.71 118.70 126.56 1x5h s GLU 82 Ca 0.07 -1.03 0.00 0.00 0.02 0.00 0.00 54.97 54.04 1x5h s GLU 82 Cb -0.23 -2.72 0.00 0.00 0.10 0.00 0.00 34.13 31.28 1x5h s GLU 82 CO 0.08 0.20 0.00 0.41 0.02 0.00 0.00 175.26 175.97 1x5h n GLY 83 N -1.46 0.83 3.56 -1.39 0.00 -0.92 -4.96 105.19 100.85 1x5h n GLY 83 Ca -0.04 -0.21 -0.26 0.00 0.00 0.00 0.00 46.02 45.51 1x5h n GLY 83 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x5h s LEU 84 N -0.44 2.75 0.13 0.99 1.43 0.69 -5.04 118.68 119.19 1x5h s LEU 84 Ca 0.00 -1.24 -0.07 0.00 -1.03 0.00 0.00 54.13 51.79 1x5h s LEU 84 Cb 0.00 -0.96 -0.06 0.00 0.03 0.00 0.00 46.19 45.20 1x5h s LEU 84 CO 0.00 -0.27 0.41 -1.81 0.23 0.00 0.00 176.35 174.92 1x5h s ASP 85 N -3.62 6.56 0.78 2.29 1.01 -1.26 -4.10 116.67 118.33 1x5h s ASP 85 Ca 0.33 0.71 -0.11 0.00 0.71 0.00 0.00 52.55 54.19 1x5h s ASP 85 Cb 0.04 -2.14 0.06 0.00 1.01 0.00 0.00 42.92 41.89 1x5h s ASP 85 CO 0.17 0.08 1.09 0.00 0.21 0.00 0.00 175.17 176.71 1x5h s ARG 86 N -2.41 2.26 -1.33 8.23 1.70 -1.24 -4.01 118.95 122.15 1x5h s ARG 86 Ca 0.39 0.77 -0.19 0.00 -0.47 0.00 0.00 55.73 56.23 1x5h s ARG 86 Cb -0.13 -1.93 0.03 0.00 -0.57 0.00 0.00 34.95 32.35 1x5h s ARG 86 CO 0.22 -1.53 0.36 0.41 -1.08 0.00 0.00 175.30 173.68 1x5h n GLY 87 N -1.95 -0.50 3.06 3.88 0.00 -1.26 -4.92 105.19 103.51 1x5h n GLY 87 Ca 0.07 0.26 -0.12 0.00 0.00 0.00 0.00 46.02 46.22 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 -3.92 0.01 -0.04 2.61 2.01 -1.26 -4.95 115.64 110.09 1x5h s THR 88 Ca 0.27 -0.05 -0.28 0.00 0.31 0.00 0.00 61.69 61.93 1x5h s THR 88 Cb -0.15 -0.27 -0.03 0.00 0.01 0.00 0.00 72.50 72.07 1x5h s THR 88 CO 0.96 -0.03 0.91 -0.70 -0.69 0.00 0.00 174.62 175.08 1x5h s GLU 89 N -0.03 4.50 0.04 4.92 2.12 -1.26 -3.13 118.70 125.87 1x5h s GLU 89 Ca -0.01 1.28 0.04 0.00 0.36 0.00 0.00 54.97 56.64 1x5h s GLU 89 Cb -0.02 -3.48 -0.02 0.00 0.26 0.00 0.00 34.13 30.87 1x5h s GLU 89 CO 0.00 -0.08 -0.13 0.71 -0.54 0.00 0.00 175.26 175.22 1x5h s TYR 90 N 1.18 1.12 -0.01 5.30 2.02 -0.69 -2.90 117.35 123.38 1x5h s TYR 90 Ca 0.48 -0.37 -0.00 0.00 -0.37 0.00 0.00 57.07 56.80 1x5h s TYR 90 Cb -0.20 -0.66 -0.04 0.00 -0.40 0.00 0.00 41.96 40.67 1x5h s TYR 90 CO 0.23 0.02 0.07 -0.80 -1.57 0.00 0.00 175.55 173.51 1x5h s ASN 91 N -1.21 5.60 0.03 2.29 -0.87 -0.58 0.13 114.94 120.34 1x5h s ASN 91 Ca -0.00 0.13 -0.00 0.00 -1.57 0.00 0.00 52.86 51.42 1x5h s ASN 91 Cb -0.08 -1.60 -0.03 0.00 -0.02 0.00 0.00 41.25 39.53 1x5h s ASN 91 CO 0.01 0.28 -0.03 -0.36 -2.57 0.00 0.00 177.10 174.43 1x5h s PHE 92 N -1.17 0.39 -0.22 2.20 0.40 0.01 -2.32 117.98 117.27 1x5h s PHE 92 Ca 0.22 -0.72 -0.15 0.00 -0.60 0.00 0.00 56.93 55.68 1x5h s PHE 92 Cb -0.12 -0.28 0.07 0.00 0.51 0.00 0.00 43.02 43.20 1x5h s PHE 92 CO 0.13 -0.25 0.56 -0.98 0.70 0.00 0.00 175.22 175.39 1x5h s ARG 93 N -2.34 0.60 -0.01 0.44 1.70 -0.15 -1.77 118.95 117.42 1x5h s ARG 93 Ca -0.07 0.95 -0.01 0.00 -0.47 0.00 0.00 55.73 56.13 1x5h s ARG 93 Cb -0.04 0.15 -0.04 0.00 -0.57 0.00 0.00 34.95 34.45 1x5h s ARG 93 CO -0.04 -0.13 0.11 0.08 -1.08 0.00 0.00 175.30 174.24 1x5h s VAL 94 N 1.14 4.92 0.03 4.99 1.01 -1.26 -1.44 120.40 129.78 1x5h s VAL 94 Ca -0.07 -0.34 -0.02 0.00 0.00 0.00 0.00 61.98 61.56 1x5h s VAL 94 Cb -0.06 -3.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.04 1x5h s VAL 94 CO -0.11 0.35 0.00 0.00 0.00 0.00 0.00 175.10 175.34 1x5h s ALA 95 N -1.23 0.14 0.09 5.51 0.00 0.42 -0.15 121.76 126.53 1x5h s ALA 95 Ca 0.24 -0.67 0.02 0.00 0.00 0.00 0.00 51.96 51.54 1x5h s ALA 95 Cb -0.12 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 1x5h s ALA 95 CO 0.15 -0.23 0.19 0.00 0.00 0.00 0.00 175.76 175.87 1x5h s ALA 96 N -2.11 3.87 -0.02 0.00 0.00 -1.13 0.11 121.76 122.48 1x5h s ALA 96 Ca -0.10 -0.95 0.04 0.00 0.00 0.00 0.00 51.96 50.95 1x5h s ALA 96 Cb -0.05 -1.69 -0.01 0.00 0.00 0.00 0.00 23.12 21.37 1x5h s ALA 96 CO -0.03 0.73 -0.13 -0.51 0.00 0.00 0.00 175.76 175.82 1x5h s LEU 97 N -2.67 1.98 0.24 0.00 1.43 0.12 0.22 118.68 119.99 1x5h s LEU 97 Ca 0.33 -0.24 0.01 0.00 -1.03 0.00 0.00 54.13 53.20 1x5h s LEU 97 Cb -0.12 -0.68 -0.04 0.00 0.03 0.00 0.00 46.19 45.37 1x5h s LEU 97 CO 0.26 0.15 0.12 0.42 0.23 0.00 0.00 176.35 177.53 1x5h s THR 98 N -0.20 0.25 0.31 5.49 -4.23 -0.68 -0.26 115.64 116.31 1x5h s THR 98 Ca 0.03 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.61 1x5h s THR 98 Cb -0.06 -2.56 0.30 0.00 1.34 0.00 0.00 72.50 71.53 1x5h s THR 98 CO -0.00 0.00 1.76 -0.29 -0.54 0.00 0.00 174.62 175.55 1x5h h ILE 99 N 2.47 0.64 -0.21 2.99 2.10 -1.93 0.49 117.51 124.07 1x5h h ILE 99 Ca -0.36 -0.24 0.06 0.00 1.08 0.00 0.00 64.86 65.40 1x5h h ILE 99 Cb 1.25 -0.11 -0.01 0.00 -1.09 0.00 0.00 36.82 36.86 1x5h h ILE 99 CO 0.56 0.13 0.24 0.78 -1.08 0.00 0.00 178.15 178.77 1x5h h ASN 100 N 0.69 0.00 0.00 2.19 2.35 -1.89 -3.47 115.58 115.45 1x5h h ASN 100 Ca 0.60 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.35 1x5h h ASN 100 Cb 1.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.38 1x5h h ASN 100 CO -0.42 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 175.97 1x5h n GLY 101 N -1.41 0.46 3.90 2.83 0.00 0.17 -4.66 105.19 106.49 1x5h n GLY 101 Ca 0.02 -0.89 -0.30 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.01 5.13 0.37 2.61 2.01 -1.26 -1.69 115.64 122.80 1x5h s THR 102 Ca 0.00 -0.02 0.03 0.00 0.31 0.00 0.00 61.69 62.01 1x5h s THR 102 Cb 0.00 -3.67 0.03 0.00 0.01 0.00 0.00 72.50 68.88 1x5h s THR 102 CO 0.00 -0.08 0.28 0.61 -0.69 0.00 0.00 174.62 174.74 1x5h n GLY 103 N -0.28 2.83 3.76 4.40 0.00 0.13 -4.37 105.19 111.65 1x5h n GLY 103 Ca -0.03 -2.26 -0.31 0.00 0.00 0.00 0.00 46.02 43.43 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 -3.52 2.01 0.00 1.61 0.04 -1.26 -4.60 135.00 129.27 1x5h s PRO 104 Ca 0.21 1.08 0.07 0.00 0.04 0.00 0.00 61.00 62.40 1x5h s PRO 104 Cb -0.02 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.63 1x5h s PRO 104 CO 0.14 -1.79 -0.23 0.00 0.04 0.00 0.00 177.00 175.16 1x5h s ALA 105 N -2.91 1.89 1.01 8.56 0.00 -1.26 -2.84 121.76 126.21 1x5h s ALA 105 Ca 0.62 -1.02 -0.12 0.00 0.00 0.00 0.00 51.96 51.44 1x5h s ALA 105 Cb -0.17 -0.45 0.20 0.00 0.00 0.00 0.00 23.12 22.69 1x5h s ALA 105 CO 0.56 0.45 1.08 0.95 0.00 0.00 0.00 175.76 178.80 1x5h s THR 106 N -0.60 2.24 1.41 0.00 -4.23 0.78 -4.96 115.64 110.28 1x5h s THR 106 Ca 0.09 0.08 -0.21 0.00 -1.18 0.00 0.00 61.69 60.46 1x5h s THR 106 Cb -0.09 -2.38 0.36 0.00 1.34 0.00 0.00 72.50 71.74 1x5h s THR 106 CO -0.00 -0.10 0.92 -0.62 -0.54 0.00 0.00 174.62 174.28 1x5h s ASP 107 N -3.06 -1.00 -0.76 3.99 2.15 -1.26 -4.64 116.67 112.09 1x5h s ASP 107 Ca 0.66 1.01 -0.22 0.00 0.43 0.00 0.00 52.55 54.43 1x5h s ASP 107 Cb -0.21 -1.46 0.08 0.00 -0.30 0.00 0.00 42.92 41.03 1x5h s ASP 107 CO 0.60 -5.35 1.05 0.26 -0.17 0.00 0.00 175.17 171.56 1x5h s TRP 108 N -2.21 2.76 -0.35 -5.34 0.23 -1.26 -4.51 118.94 108.25 1x5h s TRP 108 Ca 0.68 -0.76 -0.19 0.00 -2.03 0.00 0.00 56.10 53.81 1x5h s TRP 108 Cb -0.16 -4.34 -0.00 0.00 0.03 0.00 0.00 33.47 29.00 1x5h s TRP 108 CO 0.60 -1.65 0.55 -1.17 0.96 0.00 0.00 176.95 176.23 1x5h s LEU 109 N 3.86 4.33 0.47 2.99 2.96 -0.73 -4.87 118.68 127.69 1x5h s LEU 109 Ca 0.27 0.02 -0.09 0.00 -0.22 0.00 0.00 54.13 54.11 1x5h s LEU 109 Cb -0.12 -2.64 -0.05 0.00 0.50 0.00 0.00 46.19 43.88 1x5h s LEU 109 CO 0.04 -0.51 0.82 -0.55 -1.32 0.00 0.00 176.35 174.82 1x5h s SER 110 N 1.77 6.38 -0.18 3.68 0.15 -1.26 -0.81 113.70 123.43 1x5h s SER 110 Ca 0.20 1.10 -0.09 0.00 0.70 0.00 0.00 55.95 57.86 1x5h s SER 110 Cb -0.15 -2.32 0.06 0.00 -1.71 0.00 0.00 66.02 61.91 1x5h s SER 110 CO 0.14 -0.54 0.42 0.00 1.20 0.00 0.00 173.24 174.46 1x5h s ALA 111 N -2.64 -1.09 -0.32 5.45 0.00 0.12 -4.95 121.76 118.33 1x5h s ALA 111 Ca 0.50 1.56 -0.14 0.00 0.00 0.00 0.00 51.96 53.89 1x5h s ALA 111 Cb -0.10 -1.00 -0.02 0.00 0.00 0.00 0.00 23.12 21.99 1x5h s ALA 111 CO 0.40 -0.33 0.31 -2.00 0.00 0.00 0.00 175.76 174.13 1x5h s GLU 112 N 1.57 3.71 1.02 0.00 2.12 -1.26 -1.70 118.70 124.16 1x5h s GLU 112 Ca -0.09 -0.36 -0.12 0.00 0.36 0.00 0.00 54.97 54.76 1x5h s GLU 112 Cb -0.09 -3.75 0.20 0.00 0.26 0.00 0.00 34.13 30.75 1x5h s GLU 112 CO -0.13 -0.40 1.08 0.95 -0.54 0.00 0.00 175.26 176.22 1x5h s THR 113 N 1.92 2.20 -0.38 -1.70 -4.23 -1.18 -4.95 115.64 107.31 1x5h s THR 113 Ca 0.10 0.06 -0.27 0.00 -1.18 0.00 0.00 61.69 60.41 1x5h s THR 113 Cb -0.16 -2.40 0.02 0.00 1.34 0.00 0.00 72.50 71.29 1x5h s THR 113 CO 0.11 -0.08 1.00 -0.36 -0.54 0.00 0.00 174.62 174.74 1x5h s PHE 114 N -2.79 3.03 0.29 3.99 0.08 -1.26 -4.03 117.98 117.28 1x5h s PHE 114 Ca 0.66 0.82 0.19 0.00 0.12 0.00 0.00 56.93 58.72 1x5h s PHE 114 Cb -0.21 -3.83 1.03 0.00 -0.57 0.00 0.00 43.02 39.45 1x5h s PHE 114 CO 0.59 -0.92 1.15 0.39 -0.10 0.00 0.00 175.22 176.34 1x5h n GLU 115 N 7.02 -0.04 -4.17 0.44 1.02 -1.26 -4.09 120.64 119.57 1x5h n GLU 115 Ca 0.09 0.97 -0.16 0.00 -0.02 0.00 0.00 57.16 58.04 1x5h n GLU 115 Cb 0.48 -1.81 -0.06 0.00 -0.02 0.00 0.00 31.44 30.03 1x5h n GLU 115 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1x5h s SER 116 N -4.53 1.17 -1.18 1.62 0.15 -1.26 -4.42 113.70 105.24 1x5h s SER 116 Ca -0.06 -1.58 -0.20 0.00 0.70 0.00 0.00 55.95 54.80 1x5h s SER 116 Cb 0.24 0.61 0.03 0.00 -1.71 0.00 0.00 66.02 65.19 1x5h s SER 116 CO 0.58 -1.19 1.72 -1.81 1.20 0.00 0.00 173.24 173.74 1x5h s ASP 117 N -3.28 6.33 -0.50 5.45 1.01 -1.26 -4.89 116.67 119.52 1x5h s ASP 117 Ca 0.35 -1.94 -0.00 0.00 0.71 0.00 0.00 52.55 51.66 1x5h s ASP 117 Cb 0.01 -2.58 0.13 0.00 1.01 0.00 0.00 42.92 41.49 1x5h s ASP 117 CO 0.23 -1.69 0.27 -0.22 0.21 0.00 0.00 175.17 173.97 1x5h s LEU 118 N 5.99 4.98 -0.67 1.23 2.96 -1.26 -5.05 118.68 126.86 1x5h s LEU 118 Ca 0.56 -2.54 -0.27 0.00 -0.22 0.00 0.00 54.13 51.66 1x5h s LEU 118 Cb 0.01 -1.77 0.00 0.00 0.50 0.00 0.00 46.19 44.94 1x5h s LEU 118 CO 0.04 -0.39 1.62 -1.81 -1.32 0.00 0.00 176.35 174.49 1x5h s ASP 119 N 0.85 5.64 0.38 3.68 1.11 -1.26 -4.98 116.67 122.09 1x5h s ASP 119 Ca 0.13 0.00 0.07 0.00 0.18 0.00 0.00 52.55 52.94 1x5h s ASP 119 Cb -0.22 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.23 1x5h s ASP 119 CO -0.04 -2.16 0.53 -0.70 1.18 0.00 0.00 175.17 173.98 1x5h s GLU 120 N 6.50 2.96 -0.25 8.23 2.56 -1.26 -5.13 118.70 132.31 1x5h s GLU 120 Ca 0.54 -1.13 -0.26 0.00 0.00 0.00 0.00 54.97 54.12 1x5h s GLU 120 Cb -0.11 -2.78 0.08 0.00 2.00 0.00 0.00 34.13 33.32 1x5h s GLU 120 CO 0.18 -0.13 0.79 -0.08 -0.56 0.00 0.00 175.26 175.46 1x5h s THR 121 N -2.28 0.00 0.22 -1.70 -1.32 -1.26 -5.18 115.64 104.11 1x5h s THR 121 Ca 0.51 0.00 -0.00 0.00 -1.21 0.00 0.00 61.69 60.98 1x5h s THR 121 Cb -0.10 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.85 1x5h s THR 121 CO 0.32 0.00 0.12 0.00 -2.21 0.00 0.00 174.62 172.86 1x5h s ARG 122 N 0.19 1.26 -0.12 7.08 1.70 -1.26 -5.16 118.95 122.64 1x5h s ARG 122 Ca -0.00 -1.67 -0.01 0.00 -0.47 0.00 0.00 55.73 53.58 1x5h s ARG 122 Cb -0.04 0.13 -0.02 0.00 -0.57 0.00 0.00 34.95 34.44 1x5h s ARG 122 CO 0.00 -0.37 -0.08 0.14 -1.08 0.00 0.00 175.30 173.91 1x5h s VAL 123 N -4.05 3.51 0.50 4.99 -7.23 -1.26 -5.12 120.40 111.74 1x5h s VAL 123 Ca 0.39 -0.51 -0.08 0.00 -1.81 0.00 0.00 61.98 59.96 1x5h s VAL 123 Cb 0.07 -2.48 0.12 0.00 0.56 0.00 0.00 36.38 34.65 1x5h s VAL 123 CO 0.13 0.54 0.44 -0.81 -0.31 0.00 0.00 175.10 175.08 1x5h n PRO 124 N 3.10 -1.88 -4.45 4.82 -0.04 -1.26 -5.09 135.00 130.19 1x5h n PRO 124 Ca -0.18 -0.70 -0.23 0.00 -0.04 0.00 0.00 63.50 62.35 1x5h n PRO 124 Cb 0.53 -0.66 -0.10 0.00 -0.04 0.00 0.00 33.50 33.22 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 -4.00 1.61 0.04 0.54 2.12 -1.26 -5.16 118.70 112.60 1x5h s GLU 125 Ca 0.29 -1.78 0.05 0.00 0.36 0.00 0.00 54.97 53.89 1x5h s GLU 125 Cb -0.03 -1.47 -0.02 0.00 0.26 0.00 0.00 34.13 32.87 1x5h s GLU 125 CO 0.22 0.18 -0.14 0.08 -0.54 0.00 0.00 175.26 175.06 1x5h s VAL 126 N -2.75 1.10 0.41 3.70 1.01 -1.26 -5.16 120.40 117.46 1x5h s VAL 126 Ca 0.29 -1.05 0.04 0.00 0.00 0.00 0.00 61.98 61.26 1x5h s VAL 126 Cb -0.00 -1.01 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 1x5h s VAL 126 CO 0.13 -0.04 0.12 -0.44 0.00 0.00 0.00 175.10 174.87 1x5h s SER 127 N -1.24 2.89 0.36 3.32 0.01 -1.26 -5.18 113.70 112.60 1x5h s SER 127 Ca 0.01 -1.66 0.06 0.00 1.31 0.00 0.00 55.95 55.66 1x5h s SER 127 Cb -0.08 0.49 -0.07 0.00 0.21 0.00 0.00 66.02 66.56 1x5h s SER 127 CO 0.01 -0.91 0.02 -0.83 0.41 0.00 0.00 173.24 171.94 1x5h s GLY 128 N -3.62 2.26 1.10 3.44 0.00 -1.26 -5.15 107.32 104.09 1x5h s GLY 128 Ca 0.23 -2.16 -0.16 0.00 0.00 0.00 0.00 44.72 42.63 1x5h s GLY 128 CO 0.14 -1.96 1.10 2.56 0.00 0.00 0.00 173.10 174.94 1x5h s PRO 129 N -3.78 -0.43 0.02 2.90 0.04 -1.26 -5.04 135.00 127.45 1x5h s PRO 129 Ca 0.35 0.22 -0.04 0.00 0.04 0.00 0.00 61.00 61.57 1x5h s PRO 129 Cb 0.09 -1.66 -0.02 0.00 0.04 0.00 0.00 34.50 32.95 1x5h s PRO 129 CO 0.16 -3.24 -0.07 0.43 0.04 0.00 0.00 177.00 174.32 1x5h n SER 130 N -4.48 1.09 -3.52 6.66 7.64 -1.26 -5.05 113.62 114.69 1x5h n SER 130 Ca 0.09 0.15 -0.35 0.00 1.01 0.00 0.00 58.87 59.77 1x5h n SER 130 Cb 0.58 -0.36 -0.01 0.00 -1.01 0.00 0.00 64.21 63.41 1x5h n SER 130 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x5h n SER 131 N -3.60 -2.13 0.00 6.43 2.88 -1.26 -5.38 113.62 110.56 1x5h n SER 131 Ca -0.05 0.70 0.00 0.00 -1.33 0.00 0.00 58.87 58.20 1x5h n SER 131 Cb 0.21 -0.73 0.00 0.00 -0.75 0.00 0.00 64.21 62.94 1x5h n SER 131 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42