#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5h n SER 2 N 0.00 -0.35 -4.81 1.61 7.64 -1.26 -4.97 113.62 111.49 1x5h n SER 2 Ca 0.00 1.04 -0.23 0.00 1.01 0.00 0.00 58.87 60.69 1x5h n SER 2 Cb 0.00 -1.12 0.08 0.00 -1.01 0.00 0.00 64.21 62.15 1x5h n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x5h s SER 3 N -0.84 4.73 0.00 6.43 1.04 -1.26 -5.10 113.70 118.70 1x5h s SER 3 Ca 0.62 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.88 1x5h s SER 3 Cb -0.71 -0.42 0.00 0.00 0.10 0.00 0.00 66.02 64.99 1x5h s SER 3 CO 0.58 -1.58 0.00 0.61 0.98 0.00 0.00 173.24 173.84 1x5h n GLY 4 N -2.66 0.40 3.94 7.32 0.00 -1.26 -4.97 105.19 107.96 1x5h n GLY 4 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1x5h n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x5h n SER 5 N 0.00 -3.56 -4.77 1.61 7.64 -1.26 -4.90 113.62 108.38 1x5h n SER 5 Ca 0.00 -0.85 -0.39 0.00 1.01 0.00 0.00 58.87 58.64 1x5h n SER 5 Cb 0.00 -3.65 -0.01 0.00 -1.01 0.00 0.00 64.21 59.54 1x5h n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x5h s SER 6 N -3.57 6.47 0.64 6.43 0.15 -1.26 -5.03 113.70 117.52 1x5h s SER 6 Ca 0.51 2.56 -0.02 0.00 0.70 0.00 0.00 55.95 59.69 1x5h s SER 6 Cb -0.26 -2.63 0.06 0.00 -1.71 0.00 0.00 66.02 61.47 1x5h s SER 6 CO 0.85 -0.73 0.90 -0.83 1.20 0.00 0.00 173.24 174.63 1x5h s GLY 7 N -0.82 1.76 -0.26 9.45 0.00 -1.26 -5.11 107.32 111.08 1x5h s GLY 7 Ca 0.55 -1.20 -0.09 0.00 0.00 0.00 0.00 44.72 43.98 1x5h s GLY 7 CO 0.46 -0.83 0.56 0.51 0.00 0.00 0.00 173.10 173.80 1x5h s ASP 8 N -4.50 -0.79 -0.29 1.64 1.47 -1.26 -5.16 116.67 107.78 1x5h s ASP 8 Ca 0.60 1.34 -0.24 0.00 1.18 0.00 0.00 52.55 55.42 1x5h s ASP 8 Cb -0.10 1.85 0.15 0.00 -0.34 0.00 0.00 42.92 44.48 1x5h s ASP 8 CO 0.42 -0.22 1.17 0.54 0.68 0.00 0.00 175.17 177.75 1x5h s VAL 9 N 2.66 0.00 -0.01 2.11 0.11 -1.26 -5.17 120.40 118.83 1x5h s VAL 9 Ca -0.05 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.00 1x5h s VAL 9 Cb -0.11 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.75 1x5h s VAL 9 CO -0.17 0.00 0.01 0.00 -3.33 0.00 0.00 175.10 171.62 1x5h s ALA 10 N 0.24 0.07 -0.94 1.54 0.00 -1.26 -5.08 121.76 116.32 1x5h s ALA 10 Ca 0.04 0.16 -0.24 0.00 0.00 0.00 0.00 51.96 51.92 1x5h s ALA 10 Cb -0.05 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 1x5h s ALA 10 CO -0.10 -0.06 1.87 0.14 0.00 0.00 0.00 175.76 177.61 1x5h s VAL 11 N 0.61 3.53 -0.33 0.00 -7.23 -1.26 -4.72 120.40 111.00 1x5h s VAL 11 Ca -0.05 -0.49 0.13 0.00 -1.81 0.00 0.00 61.98 59.76 1x5h s VAL 11 Cb -0.07 -4.22 0.46 0.00 0.56 0.00 0.00 36.38 33.11 1x5h s VAL 11 CO -0.02 -1.11 1.08 -2.11 -0.31 0.00 0.00 175.10 172.63 1x5h n ARG 12 N 8.81 2.41 -3.53 4.82 1.85 -1.26 -5.08 116.66 124.69 1x5h n ARG 12 Ca 0.40 -3.84 -0.38 0.00 -1.00 0.00 0.00 57.85 53.03 1x5h n ARG 12 Cb 0.47 -1.81 -0.06 0.00 -1.05 0.00 0.00 32.46 30.01 1x5h n ARG 12 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1x5h s THR 13 N -4.24 5.06 -0.56 8.89 2.01 -1.26 -5.05 115.64 120.49 1x5h s THR 13 Ca 0.38 0.80 -0.13 0.00 0.31 0.00 0.00 61.69 63.04 1x5h s THR 13 Cb 0.40 -3.69 0.14 0.00 0.01 0.00 0.00 72.50 69.36 1x5h s THR 13 CO -0.04 0.58 0.49 -0.76 -0.69 0.00 0.00 174.62 174.20 1x5h s LEU 14 N -1.08 6.10 0.30 4.42 1.43 -1.26 -5.05 118.68 123.53 1x5h s LEU 14 Ca 0.23 -1.97 0.11 0.00 -1.03 0.00 0.00 54.13 51.47 1x5h s LEU 14 Cb -0.16 -2.14 -0.05 0.00 0.03 0.00 0.00 46.19 43.86 1x5h s LEU 14 CO 0.13 -0.76 -0.13 -0.94 0.23 0.00 0.00 176.35 174.87 1x5h s SER 15 N 3.07 3.80 -0.01 2.29 1.04 -1.26 -5.06 113.70 117.58 1x5h s SER 15 Ca 0.06 -1.01 -0.20 0.00 0.48 0.00 0.00 55.95 55.28 1x5h s SER 15 Cb -0.26 -0.41 -0.29 0.00 0.10 0.00 0.00 66.02 65.16 1x5h s SER 15 CO 0.00 -0.04 0.99 0.44 0.98 0.00 0.00 173.24 175.61 1x5h h ASP 16 N 2.12 0.58 -1.70 7.02 5.19 -1.97 -3.47 116.42 124.19 1x5h h ASP 16 Ca -0.41 -0.88 -0.50 0.00 -0.62 0.00 0.00 57.03 54.61 1x5h h ASP 16 Cb 1.26 -0.18 0.16 0.00 0.18 0.00 0.00 39.33 40.74 1x5h h ASP 16 CO 0.63 1.41 -1.10 1.33 -3.12 0.00 0.00 179.24 178.39 1x5h n VAL 17 N -4.07 0.00 -2.26 -1.35 0.24 -1.26 -4.86 118.33 104.77 1x5h n VAL 17 Ca -0.13 -0.43 -0.35 0.00 -2.04 0.00 0.00 64.34 61.39 1x5h n VAL 17 Cb 0.83 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.20 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 -1.02 3.39 -0.24 7.34 0.04 -1.26 -4.98 135.00 138.27 1x5h s PRO 18 Ca 0.46 1.63 0.11 0.00 0.04 0.00 0.00 61.00 63.23 1x5h s PRO 18 Cb -0.37 -2.04 0.45 0.00 0.04 0.00 0.00 34.50 32.58 1x5h s PRO 18 CO 0.59 -0.82 1.20 0.45 0.04 0.00 0.00 177.00 178.45 1x5h n SER 19 N -1.23 3.25 -4.11 6.66 2.88 -1.26 -4.07 113.62 115.74 1x5h n SER 19 Ca 0.11 -3.61 -0.29 0.00 -1.33 0.00 0.00 58.87 53.76 1x5h n SER 19 Cb 0.51 -0.42 -0.17 0.00 -0.75 0.00 0.00 64.21 63.38 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 -3.29 1.75 0.19 -1.46 0.00 -1.26 -4.93 121.76 112.75 1x5h s ALA 20 Ca 0.43 -0.73 0.08 0.00 0.00 0.00 0.00 51.96 51.74 1x5h s ALA 20 Cb 0.39 -0.75 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 1x5h s ALA 20 CO -0.02 0.10 -0.02 0.00 0.00 0.00 0.00 175.76 175.82 1x5h s ALA 21 N 0.67 3.14 0.23 0.00 0.00 -1.26 -4.25 121.76 120.29 1x5h s ALA 21 Ca -0.13 -1.43 -0.30 0.00 0.00 0.00 0.00 51.96 50.11 1x5h s ALA 21 Cb -0.16 -0.91 -0.09 0.00 0.00 0.00 0.00 23.12 21.96 1x5h s ALA 21 CO 0.03 0.45 1.28 -1.25 0.00 0.00 0.00 175.76 176.28 1x5h s PRO 22 N -3.01 4.41 0.57 0.00 0.04 -1.26 -4.15 135.00 131.60 1x5h s PRO 22 Ca 0.27 2.05 0.08 0.00 0.04 0.00 0.00 61.00 63.44 1x5h s PRO 22 Cb -0.09 -3.17 0.07 0.00 0.04 0.00 0.00 34.50 31.35 1x5h s PRO 22 CO 0.18 -0.18 0.63 -0.65 0.04 0.00 0.00 177.00 177.01 1x5h s GLN 23 N -0.58 2.27 -1.74 4.56 -0.21 -0.24 -4.59 119.66 119.14 1x5h s GLN 23 Ca 0.54 -1.83 0.00 0.00 0.02 0.00 0.00 55.36 54.09 1x5h s GLN 23 Cb -0.36 -2.40 0.00 0.00 1.00 0.00 0.00 33.01 31.25 1x5h s GLN 23 CO 0.41 -0.78 0.00 0.09 -2.12 0.00 0.00 175.29 172.89 1x5h n ASN 24 N -2.05 -5.47 -4.66 5.90 3.02 -1.26 0.29 115.26 111.03 1x5h n ASN 24 Ca 0.08 0.10 -0.35 0.00 -0.03 0.00 0.00 54.58 54.38 1x5h n ASN 24 Cb 0.63 -4.55 0.10 0.00 -0.61 0.00 0.00 39.78 35.35 1x5h n ASN 24 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1x5h n LEU 25 N -2.61 4.22 -3.59 3.41 7.94 -1.25 -4.33 117.00 120.78 1x5h n LEU 25 Ca -0.22 0.66 -0.04 0.00 -1.11 0.00 0.00 56.01 55.30 1x5h n LEU 25 Cb 0.66 -1.47 -0.02 0.00 0.53 0.00 0.00 43.42 43.13 1x5h n LEU 25 CO 0.27 -1.76 0.94 -0.44 -1.11 0.00 0.00 177.39 175.30 1x5h s SER 26 N -1.77 -0.17 -0.27 1.96 0.01 0.11 -4.93 113.70 108.64 1x5h s SER 26 Ca 0.75 -0.04 -0.02 0.00 1.31 0.00 0.00 55.95 57.95 1x5h s SER 26 Cb -0.33 0.21 0.09 0.00 0.21 0.00 0.00 66.02 66.19 1x5h s SER 26 CO 0.49 -0.35 0.08 -0.76 0.41 0.00 0.00 173.24 173.12 1x5h s LEU 27 N -2.38 1.55 -0.91 2.44 1.43 -1.26 -0.43 118.68 119.12 1x5h s LEU 27 Ca 0.09 -1.29 -0.21 0.00 -1.03 0.00 0.00 54.13 51.69 1x5h s LEU 27 Cb -0.00 -0.67 0.09 0.00 0.03 0.00 0.00 46.19 45.64 1x5h s LEU 27 CO -0.05 -0.38 1.21 -0.70 0.23 0.00 0.00 176.35 176.66 1x5h s GLU 28 N 1.79 3.50 -0.65 1.70 2.56 0.34 -4.87 118.70 123.09 1x5h s GLU 28 Ca 0.06 -1.34 -0.26 0.00 0.00 0.00 0.00 54.97 53.43 1x5h s GLU 28 Cb -0.17 -4.91 -0.11 0.00 2.00 0.00 0.00 34.13 30.94 1x5h s GLU 28 CO -0.22 -1.94 2.42 0.28 -0.56 0.00 0.00 175.26 175.25 1x5h n VAL 29 N 6.04 -0.04 -0.04 3.70 0.31 -1.26 -1.54 118.33 125.49 1x5h n VAL 29 Ca 0.22 -0.65 -0.14 0.00 -0.01 0.00 0.00 64.34 63.76 1x5h n VAL 29 Cb 0.49 -2.38 -0.09 0.00 -0.91 0.00 0.00 33.84 30.95 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 16.13 0.28 0.00 5.55 2.47 -1.91 -3.48 114.38 133.42 1x5h h ARG 30 Ca -0.12 -0.18 -0.33 0.00 -1.26 0.00 0.00 59.98 58.08 1x5h h ARG 30 Cb 1.14 0.02 -0.09 0.00 -1.65 0.00 0.00 29.97 29.39 1x5h h ARG 30 CO 1.08 0.78 -0.32 0.09 0.56 0.00 0.00 179.97 182.16 1x5h n ASN 31 N -4.55 -0.25 0.17 7.04 3.02 -0.70 -5.01 115.26 114.98 1x5h n ASN 31 Ca -0.07 -2.50 0.12 0.00 -0.03 0.00 0.00 54.58 52.10 1x5h n ASN 31 Cb 0.40 1.08 0.17 0.00 -0.61 0.00 0.00 39.78 40.83 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 1.36 0.00 -0.06 6.41 4.64 -1.88 -3.27 113.55 120.75 1x5h h SER 32 Ca -0.17 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1x5h h SER 32 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1x5h h SER 32 CO 0.25 0.01 0.00 2.29 -0.87 0.00 0.00 176.83 178.51 1x5h n LYS 33 N -2.81 0.76 -3.88 4.77 -0.00 -1.26 -3.35 118.16 112.40 1x5h n LYS 33 Ca 0.03 -1.15 -0.11 0.00 -0.00 0.00 0.00 58.31 57.08 1x5h n LYS 33 Cb 0.51 -1.13 -0.12 0.00 -0.00 0.00 0.00 35.03 34.29 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 -0.67 0.01 -0.02 -5.58 1.04 -1.23 0.57 113.70 107.81 1x5h s SER 34 Ca 0.09 -0.06 -0.01 0.00 0.48 0.00 0.00 55.95 56.45 1x5h s SER 34 Cb 0.06 0.18 0.02 0.00 0.10 0.00 0.00 66.02 66.38 1x5h s SER 34 CO 0.08 -0.19 0.04 -0.63 0.98 0.00 0.00 173.24 173.53 1x5h s ILE 35 N -0.67 -0.03 -0.11 -1.02 1.01 -0.16 -1.71 121.20 118.51 1x5h s ILE 35 Ca -0.08 0.10 -0.09 0.00 0.00 0.00 0.00 60.65 60.59 1x5h s ILE 35 Cb -0.05 -0.08 -0.04 0.00 0.01 0.00 0.00 42.46 42.30 1x5h s ILE 35 CO 0.00 0.04 0.19 -0.32 0.00 0.00 0.00 174.94 174.85 1x5h s MET 36 N 0.54 3.61 -0.11 2.79 -2.45 -0.59 0.01 119.30 123.10 1x5h s MET 36 Ca -0.04 -0.05 -0.01 0.00 -1.25 0.00 0.00 55.69 54.34 1x5h s MET 36 Cb -0.06 -3.22 -0.02 0.00 1.25 0.00 0.00 34.83 32.77 1x5h s MET 36 CO -0.02 0.70 -0.08 0.42 1.05 0.00 0.00 175.02 177.09 1x5h s ILE 37 N -0.85 3.54 -0.18 10.11 1.01 -0.19 0.13 121.20 134.77 1x5h s ILE 37 Ca 0.16 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.31 1x5h s ILE 37 Cb -0.13 -2.49 0.04 0.00 0.01 0.00 0.00 42.46 39.89 1x5h s ILE 37 CO 0.05 0.54 -0.09 -1.00 0.00 0.00 0.00 174.94 174.44 1x5h s HIS 38 N -0.10 2.14 0.24 3.97 3.76 0.43 -2.75 115.29 122.99 1x5h s HIS 38 Ca 0.00 -1.36 0.02 0.00 -0.15 0.00 0.00 55.06 53.57 1x5h s HIS 38 Cb -0.13 -1.52 -0.05 0.00 1.11 0.00 0.00 32.58 31.98 1x5h s HIS 38 CO 0.03 -0.69 0.06 1.67 -0.85 0.00 0.00 174.74 174.97 1x5h s TRP 39 N 1.49 1.48 0.11 1.40 -2.14 -0.96 0.07 118.94 120.38 1x5h s TRP 39 Ca 0.00 -1.11 0.07 0.00 2.66 0.00 0.00 56.10 57.72 1x5h s TRP 39 Cb -0.15 -0.86 -0.04 0.00 -3.10 0.00 0.00 33.47 29.32 1x5h s TRP 39 CO -0.08 -0.27 -0.16 -0.65 -2.66 0.00 0.00 176.95 173.12 1x5h s GLN 40 N -3.99 1.04 0.39 3.25 -1.52 0.15 -4.76 119.66 114.21 1x5h s GLN 40 Ca 0.34 -1.18 -0.26 0.00 -1.95 0.00 0.00 55.36 52.31 1x5h s GLN 40 Cb 0.07 -1.08 -0.09 0.00 -0.22 0.00 0.00 33.01 31.70 1x5h s GLN 40 CO 0.11 0.23 1.19 -1.25 -0.25 0.00 0.00 175.29 175.32 1x5h s PRO 41 N -2.27 4.11 0.94 2.91 0.04 -1.26 -1.07 135.00 138.40 1x5h s PRO 41 Ca 0.07 1.91 -0.12 0.00 0.04 0.00 0.00 61.00 62.90 1x5h s PRO 41 Cb -0.08 -2.76 0.15 0.00 0.04 0.00 0.00 34.50 31.86 1x5h s PRO 41 CO 0.04 -0.29 1.09 -1.25 0.04 0.00 0.00 177.00 176.63 1x5h s PRO 42 N -2.18 0.93 0.73 0.56 0.04 -1.26 -4.58 135.00 129.23 1x5h s PRO 42 Ca 0.55 0.70 -0.16 0.00 0.04 0.00 0.00 61.00 62.14 1x5h s PRO 42 Cb -0.33 -1.78 0.01 0.00 0.04 0.00 0.00 34.50 32.44 1x5h s PRO 42 CO 0.41 -2.43 0.97 0.00 0.04 0.00 0.00 177.00 175.99 1x5h n ALA 43 N -4.00 -0.27 0.17 8.56 0.00 -1.26 -4.86 120.51 118.85 1x5h n ALA 43 Ca 0.06 -0.20 0.01 0.00 0.00 0.00 0.00 53.44 53.32 1x5h n ALA 43 Cb 0.56 -2.12 0.29 0.00 0.00 0.00 0.00 19.45 18.18 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 -0.29 0.00 -0.31 0.00 0.13 -1.94 -2.61 132.00 126.97 1x5h h PRO 44 Ca -0.47 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.48 1x5h h PRO 44 Cb 1.33 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.46 1x5h h PRO 44 CO 0.47 0.46 -0.50 0.00 -0.23 0.00 0.00 178.00 178.20 1x5h h ALA 45 N 1.54 0.52 -0.37 -0.56 0.00 -2.04 -3.21 119.26 115.14 1x5h h ALA 45 Ca -0.00 -0.50 -0.16 0.00 0.00 0.00 0.00 54.91 54.25 1x5h h ALA 45 Cb 0.84 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1x5h h ALA 45 CO 0.06 0.68 -0.41 1.79 0.00 0.00 0.00 179.25 181.38 1x5h h THR 46 N 0.68 1.27 -3.22 0.00 1.35 -1.91 -3.45 112.91 107.64 1x5h h THR 46 Ca 0.03 -1.58 -0.57 0.00 -0.55 0.00 0.00 66.41 63.74 1x5h h THR 46 Cb 1.10 1.41 0.18 0.00 -1.73 0.00 0.00 68.15 69.11 1x5h h THR 46 CO 0.11 0.53 -0.27 0.00 -0.25 0.00 0.00 175.52 175.64 1x5h n GLN 47 N -4.06 0.50 -1.01 4.72 6.02 -0.99 -4.49 117.38 118.07 1x5h n GLN 47 Ca -0.03 0.21 0.03 0.00 -0.01 0.00 0.00 57.00 57.20 1x5h n GLN 47 Cb 0.56 -1.86 0.14 0.00 1.02 0.00 0.00 30.24 30.10 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 -0.15 1.80 0.00 1.08 3.02 -1.26 -5.00 115.26 114.74 1x5h n ASN 48 Ca 0.12 -3.38 0.00 0.00 -0.03 0.00 0.00 54.58 51.29 1x5h n ASN 48 Cb 0.49 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 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 -0.68 -0.06 3.75 7.41 0.00 -1.26 -4.92 105.19 109.43 1x5h n GLY 49 Ca 0.18 -1.65 -0.40 0.00 0.00 0.00 0.00 46.02 44.15 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 -1.90 4.57 0.25 1.61 -2.07 -1.26 -5.04 119.66 115.82 1x5h s GLN 50 Ca 0.00 1.18 -0.29 0.00 -1.82 0.00 0.00 55.36 54.43 1x5h s GLN 50 Cb 0.00 -3.34 -0.09 0.00 -1.09 0.00 0.00 33.01 28.49 1x5h s GLN 50 CO 0.00 0.35 0.93 0.42 -1.32 0.00 0.00 175.29 175.66 1x5h s ILE 51 N -0.35 4.12 -0.08 3.63 1.01 -1.26 -4.39 121.20 123.89 1x5h s ILE 51 Ca 0.40 2.00 0.10 0.00 0.00 0.00 0.00 60.65 63.15 1x5h s ILE 51 Cb -0.22 -4.25 -0.15 0.00 0.01 0.00 0.00 42.46 37.85 1x5h s ILE 51 CO 0.25 0.43 0.10 0.35 0.00 0.00 0.00 174.94 176.07 1x5h n THR 52 N 1.31 0.54 0.00 2.92 -2.24 -0.32 -4.81 114.28 111.68 1x5h n THR 52 Ca -0.02 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 1x5h n THR 52 Cb 0.48 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 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 2.19 0.86 3.60 3.38 0.00 -1.21 -2.98 105.19 111.04 1x5h n GLY 53 Ca -0.13 -0.91 -0.24 0.00 0.00 0.00 0.00 46.02 44.73 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 2.64 -0.41 1.61 2.02 -1.26 0.13 117.35 120.08 1x5h s TYR 54 Ca 0.00 -0.23 0.01 0.00 -0.37 0.00 0.00 57.07 56.48 1x5h s TYR 54 Cb 0.00 -1.21 0.11 0.00 -0.40 0.00 0.00 41.96 40.46 1x5h s TYR 54 CO 0.00 0.59 0.16 0.21 -1.57 0.00 0.00 175.55 174.94 1x5h s LYS 55 N -3.34 1.81 -0.57 -0.62 2.20 0.47 -3.32 119.74 116.37 1x5h s LYS 55 Ca 0.29 -2.01 -0.20 0.00 -0.36 0.00 0.00 55.97 53.69 1x5h s LYS 55 Cb -0.07 -3.40 0.08 0.00 -1.51 0.00 0.00 37.83 32.93 1x5h s LYS 55 CO 0.18 -1.03 0.73 0.42 -0.36 0.00 0.00 175.35 175.29 1x5h s ILE 56 N 0.76 4.73 -0.16 5.43 1.01 -1.10 -2.95 121.20 128.91 1x5h s ILE 56 Ca 0.11 -0.65 -0.02 0.00 0.00 0.00 0.00 60.65 60.09 1x5h s ILE 56 Cb -0.21 -4.46 -0.02 0.00 0.01 0.00 0.00 42.46 37.78 1x5h s ILE 56 CO -0.05 -1.07 -0.08 -0.13 0.00 0.00 0.00 174.94 173.60 1x5h s ARG 57 N 2.97 3.46 0.24 2.79 0.52 -0.99 -2.79 118.95 125.15 1x5h s ARG 57 Ca 0.16 -0.62 0.08 0.00 -0.52 0.00 0.00 55.73 54.82 1x5h s ARG 57 Cb -0.21 -2.82 -0.05 0.00 0.52 0.00 0.00 34.95 32.40 1x5h s ARG 57 CO 0.10 0.11 -0.13 1.52 0.02 0.00 0.00 175.30 176.91 1x5h s TYR 58 N 0.67 1.85 -0.09 -0.53 1.13 -1.24 -2.53 117.35 116.62 1x5h s TYR 58 Ca -0.04 -0.58 -0.30 0.00 -1.41 0.00 0.00 57.07 54.74 1x5h s TYR 58 Cb -0.15 -0.91 0.10 0.00 -1.10 0.00 0.00 41.96 39.90 1x5h s TYR 58 CO 0.02 0.38 0.82 -0.98 -2.51 0.00 0.00 175.55 173.29 1x5h s ARG 59 N -3.65 0.86 0.37 -3.49 1.70 -0.53 -2.80 118.95 111.41 1x5h s ARG 59 Ca 0.25 0.16 -0.25 0.00 -0.47 0.00 0.00 55.73 55.42 1x5h s ARG 59 Cb -0.00 0.40 -0.09 0.00 -0.57 0.00 0.00 34.95 34.69 1x5h s ARG 59 CO 0.09 -0.28 1.05 0.15 -1.08 0.00 0.00 175.30 175.24 1x5h s LYS 60 N -1.33 4.27 0.25 3.89 1.02 -1.23 -0.04 119.74 126.57 1x5h s LYS 60 Ca -0.06 1.55 -0.04 0.00 0.02 0.00 0.00 55.97 57.44 1x5h s LYS 60 Cb -0.00 -2.66 0.37 0.00 -0.52 0.00 0.00 37.83 35.01 1x5h s LYS 60 CO 0.05 -0.06 1.87 0.00 -0.92 0.00 0.00 175.35 176.29 1x5h h ALA 61 N 2.75 1.30 -0.02 5.17 0.00 -1.93 -1.81 119.26 124.73 1x5h h ALA 61 Ca -0.48 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 1x5h h ALA 61 Cb 1.21 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1x5h h ALA 61 CO 0.63 0.40 -0.21 0.77 0.00 0.00 0.00 179.25 180.84 1x5h h SER 62 N 1.11 0.22 -2.76 0.00 0.02 -1.92 -3.37 113.55 106.86 1x5h h SER 62 Ca 0.41 -0.71 -0.73 0.00 -0.84 0.00 0.00 61.79 59.91 1x5h h SER 62 Cb 0.14 -0.07 -0.33 0.00 0.14 0.00 0.00 62.40 62.28 1x5h h SER 62 CO -0.17 0.90 0.24 -1.14 -1.14 0.00 0.00 176.83 175.52 1x5h n ARG 63 N -4.54 3.62 0.07 3.45 3.00 -1.07 -4.86 116.66 116.33 1x5h n ARG 63 Ca -0.09 -4.58 -0.13 0.00 -0.00 0.00 0.00 57.85 53.05 1x5h n ARG 63 Cb 0.46 -2.42 -0.08 0.00 0.00 0.00 0.00 32.46 30.42 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 5.14 -0.11 -1.00 -0.14 1.57 -1.50 -2.76 116.57 117.77 1x5h h LYS 64 Ca 0.20 0.01 0.38 0.00 -1.87 0.00 0.00 60.65 59.36 1x5h h LYS 64 Cb 0.66 0.02 -0.18 0.00 0.08 0.00 0.00 32.23 32.82 1x5h h LYS 64 CO 1.11 0.01 0.45 1.03 -0.57 0.00 0.00 179.45 181.48 1x5h h SER 65 N -0.20 0.21 -2.67 0.86 0.87 -1.89 -3.33 113.55 107.40 1x5h h SER 65 Ca -0.01 0.25 -0.54 0.00 -1.23 0.00 0.00 61.79 60.26 1x5h h SER 65 Cb 0.16 0.29 -0.05 0.00 -0.44 0.00 0.00 62.40 62.37 1x5h h SER 65 CO 0.02 -0.39 1.18 -0.62 -0.53 0.00 0.00 176.83 176.50 1x5h s ASP 66 N -4.65 5.93 0.08 6.23 2.15 -1.04 -4.98 116.67 120.38 1x5h s ASP 66 Ca -0.10 0.55 0.06 0.00 0.43 0.00 0.00 52.55 53.50 1x5h s ASP 66 Cb 0.33 -2.54 -0.03 0.00 -0.30 0.00 0.00 42.92 40.38 1x5h s ASP 66 CO 0.78 -1.82 -0.17 -0.69 -0.17 0.00 0.00 175.17 173.11 1x5h s VAL 67 N 6.77 1.33 -0.07 1.11 1.01 -1.25 -4.18 120.40 125.13 1x5h s VAL 67 Ca 0.62 -1.36 0.05 0.00 0.00 0.00 0.00 61.98 61.29 1x5h s VAL 67 Cb -0.14 -1.24 -0.01 0.00 0.00 0.00 0.00 36.38 34.99 1x5h s VAL 67 CO 0.27 -0.14 -0.24 -0.89 0.00 0.00 0.00 175.10 174.10 1x5h s THR 68 N -1.18 1.99 -0.12 3.92 2.01 -1.12 -5.01 115.64 116.12 1x5h s THR 68 Ca 0.01 -1.01 -0.17 0.00 0.31 0.00 0.00 61.69 60.84 1x5h s THR 68 Cb -0.10 -1.70 -0.04 0.00 0.01 0.00 0.00 72.50 70.67 1x5h s THR 68 CO 0.03 0.55 0.42 -0.70 -0.69 0.00 0.00 174.62 174.23 1x5h s GLU 69 N 0.05 4.29 -0.27 4.92 -6.30 -1.26 -3.58 118.70 116.54 1x5h s GLU 69 Ca -0.09 0.34 -0.01 0.00 -2.50 0.00 0.00 54.97 52.71 1x5h s GLU 69 Cb -0.15 -3.42 0.09 0.00 0.00 0.00 0.00 34.13 30.65 1x5h s GLU 69 CO 0.05 0.22 0.08 0.99 0.02 0.00 0.00 175.26 176.62 1x5h s THR 70 N 0.47 0.74 0.04 -1.70 2.01 -1.12 -5.05 115.64 111.04 1x5h s THR 70 Ca 0.23 -1.12 -0.24 0.00 0.31 0.00 0.00 61.69 60.87 1x5h s THR 70 Cb -0.15 -1.46 -0.06 0.00 0.01 0.00 0.00 72.50 70.85 1x5h s THR 70 CO 0.09 -0.53 0.72 -0.22 -0.69 0.00 0.00 174.62 173.99 1x5h s LEU 71 N 1.71 4.46 0.00 4.42 1.98 -1.26 -2.73 118.68 127.25 1x5h s LEU 71 Ca 0.06 1.40 0.01 0.00 -2.89 0.00 0.00 54.13 52.71 1x5h s LEU 71 Cb -0.17 -3.16 -0.00 0.00 0.66 0.00 0.00 46.19 43.52 1x5h s LEU 71 CO -0.21 0.06 0.04 1.33 -1.89 0.00 0.00 176.35 175.68 1x5h n VAL 72 N 2.66 0.00 -3.07 1.68 0.24 -1.21 -5.03 118.33 113.59 1x5h n VAL 72 Ca -0.04 -2.29 -0.34 0.00 -2.04 0.00 0.00 64.34 59.63 1x5h n VAL 72 Cb 0.50 0.56 -0.06 0.00 -1.47 0.00 0.00 33.84 33.37 1x5h n VAL 72 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1x5h s SER 73 N -3.60 6.93 0.28 -1.34 0.01 -1.26 -4.04 113.70 110.68 1x5h s SER 73 Ca 0.05 1.40 0.01 0.00 1.31 0.00 0.00 55.95 58.72 1x5h s SER 73 Cb 0.00 -2.42 0.54 0.00 0.21 0.00 0.00 66.02 64.36 1x5h s SER 73 CO 0.04 -0.12 1.83 1.23 0.41 0.00 0.00 173.24 176.62 1x5h h GLY 74 N 2.70 1.61 -1.40 3.44 0.00 -1.85 0.20 103.07 107.78 1x5h h GLY 74 Ca -0.48 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.44 1x5h h GLY 74 CO 0.65 0.15 0.00 -0.37 0.00 0.00 0.00 176.54 176.97 1x5h n THR 75 N -4.64 0.63 -3.71 4.70 5.66 -1.26 -4.81 114.28 110.85 1x5h n THR 75 Ca 0.19 -0.40 -0.36 0.00 -3.05 0.00 0.00 64.05 60.43 1x5h n THR 75 Cb 0.35 -0.15 -0.10 0.00 -1.55 0.00 0.00 70.33 68.88 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 -1.62 4.01 0.00 1.09 0.74 0.69 -4.95 119.66 119.62 1x5h s GLN 76 Ca 0.17 -0.30 0.08 0.00 0.05 0.00 0.00 55.36 55.36 1x5h s GLN 76 Cb 0.11 -3.49 0.21 0.00 1.10 0.00 0.00 33.01 30.95 1x5h s GLN 76 CO 0.08 0.04 1.14 1.28 -0.55 0.00 0.00 175.29 177.28 1x5h n LEU 77 N 4.32 2.58 -4.13 3.68 4.77 -1.26 -4.79 117.00 122.17 1x5h n LEU 77 Ca -0.15 -1.87 -0.09 0.00 -0.03 0.00 0.00 56.01 53.87 1x5h n LEU 77 Cb 0.52 -0.15 -0.10 0.00 -2.33 0.00 0.00 43.42 41.35 1x5h n LEU 77 CO 0.34 0.63 -0.34 -0.94 -1.33 0.00 0.00 177.39 175.75 1x5h s SER 78 N -0.96 0.58 -0.29 -1.43 1.04 -1.26 -2.27 113.70 109.11 1x5h s SER 78 Ca 0.17 -1.07 -0.19 0.00 0.48 0.00 0.00 55.95 55.34 1x5h s SER 78 Cb 0.09 0.21 0.13 0.00 0.10 0.00 0.00 66.02 66.54 1x5h s SER 78 CO 0.12 -0.61 0.96 -1.58 0.98 0.00 0.00 173.24 173.10 1x5h s GLN 79 N -3.94 0.46 -0.40 4.02 2.00 -1.11 -4.98 119.66 115.71 1x5h s GLN 79 Ca 0.13 0.71 -0.15 0.00 -2.00 0.00 0.00 55.36 54.05 1x5h s GLN 79 Cb 0.07 0.14 0.02 0.00 0.80 0.00 0.00 33.01 34.04 1x5h s GLN 79 CO -0.05 -0.08 0.30 -1.17 -0.50 0.00 0.00 175.29 173.78 1x5h s LEU 80 N 1.00 5.04 -0.62 3.68 2.96 -1.26 -1.02 118.68 128.45 1x5h s LEU 80 Ca -0.05 -0.84 -0.21 0.00 -0.22 0.00 0.00 54.13 52.81 1x5h s LEU 80 Cb -0.04 -2.17 0.09 0.00 0.50 0.00 0.00 46.19 44.57 1x5h s LEU 80 CO -0.12 -0.43 0.83 -0.63 -1.32 0.00 0.00 176.35 174.67 1x5h s ILE 81 N 1.70 4.58 0.48 6.68 -1.09 0.10 -4.92 121.20 128.73 1x5h s ILE 81 Ca 0.05 -0.69 0.01 0.00 -2.23 0.00 0.00 60.65 57.80 1x5h s ILE 81 Cb -0.19 -4.58 0.01 0.00 -1.58 0.00 0.00 42.46 36.12 1x5h s ILE 81 CO 0.10 -1.28 0.69 -1.61 -1.23 0.00 0.00 174.94 171.61 1x5h s GLU 82 N 3.34 2.87 0.00 2.79 2.02 -1.26 -0.99 118.70 127.47 1x5h s GLU 82 Ca 0.17 -0.66 0.00 0.00 0.02 0.00 0.00 54.97 54.49 1x5h s GLU 82 Cb -0.21 -2.56 0.00 0.00 0.10 0.00 0.00 34.13 31.46 1x5h s GLU 82 CO 0.08 -0.41 0.00 0.41 0.02 0.00 0.00 175.26 175.36 1x5h n GLY 83 N -2.13 0.53 3.68 -1.39 0.00 0.17 -4.94 105.19 101.10 1x5h n GLY 83 Ca 0.04 -0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.68 2.59 0.31 0.99 1.43 0.19 -5.00 118.68 117.52 1x5h s LEU 84 Ca 0.00 -1.50 0.07 0.00 -1.03 0.00 0.00 54.13 51.67 1x5h s LEU 84 Cb 0.00 -0.80 -0.03 0.00 0.03 0.00 0.00 46.19 45.39 1x5h s LEU 84 CO 0.00 -0.64 0.31 -0.62 0.23 0.00 0.00 176.35 175.63 1x5h s ASP 85 N -3.78 5.56 0.48 2.29 2.15 -1.25 -4.22 116.67 117.91 1x5h s ASP 85 Ca 0.22 -0.33 -0.03 0.00 0.43 0.00 0.00 52.55 52.83 1x5h s ASP 85 Cb 0.06 -1.19 -0.02 0.00 -0.30 0.00 0.00 42.92 41.47 1x5h s ASP 85 CO 0.11 -0.27 0.76 0.00 -0.17 0.00 0.00 175.17 175.60 1x5h s ARG 86 N -3.99 3.27 -1.07 4.34 1.70 -1.21 -4.37 118.95 117.62 1x5h s ARG 86 Ca 0.39 -0.07 -0.13 0.00 -0.47 0.00 0.00 55.73 55.45 1x5h s ARG 86 Cb -0.07 -2.43 0.02 0.00 -0.57 0.00 0.00 34.95 31.90 1x5h s ARG 86 CO 0.27 -0.30 0.25 0.41 -1.08 0.00 0.00 175.30 174.86 1x5h n GLY 87 N -2.24 -0.36 3.22 3.88 0.00 -1.20 -4.91 105.19 103.58 1x5h n GLY 87 Ca 0.01 0.19 -0.12 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.97 -0.02 0.35 2.61 2.01 -1.26 -4.93 115.64 110.44 1x5h s THR 88 Ca 0.19 0.06 -0.27 0.00 0.31 0.00 0.00 61.69 61.98 1x5h s THR 88 Cb -0.10 -0.52 -0.09 0.00 0.01 0.00 0.00 72.50 71.79 1x5h s THR 88 CO 0.76 0.02 1.19 -0.70 -0.69 0.00 0.00 174.62 175.21 1x5h s GLU 89 N 0.82 4.27 -0.01 4.92 2.12 -1.26 -2.53 118.70 127.04 1x5h s GLU 89 Ca -0.05 1.94 0.02 0.00 0.36 0.00 0.00 54.97 57.24 1x5h s GLU 89 Cb -0.06 -2.91 0.00 0.00 0.26 0.00 0.00 34.13 31.43 1x5h s GLU 89 CO -0.06 -0.16 -0.06 0.71 -0.54 0.00 0.00 175.26 175.15 1x5h s TYR 90 N -1.28 0.60 -0.11 5.30 2.02 0.21 -3.39 117.35 120.71 1x5h s TYR 90 Ca 0.52 -0.12 -0.11 0.00 -0.37 0.00 0.00 57.07 56.98 1x5h s TYR 90 Cb -0.34 -0.43 -0.05 0.00 -0.40 0.00 0.00 41.96 40.75 1x5h s TYR 90 CO 0.43 -0.05 0.25 -0.80 -1.57 0.00 0.00 175.55 173.81 1x5h s ASN 91 N 0.11 6.49 0.00 2.29 0.02 0.94 -0.02 114.94 124.77 1x5h s ASN 91 Ca -0.01 0.58 0.02 0.00 -1.02 0.00 0.00 52.86 52.44 1x5h s ASN 91 Cb -0.05 -2.15 -0.01 0.00 0.02 0.00 0.00 41.25 39.06 1x5h s ASN 91 CO -0.00 0.28 -0.08 -0.36 0.02 0.00 0.00 177.10 176.96 1x5h s PHE 92 N -0.48 0.70 -0.13 2.20 0.08 -0.51 -1.45 117.98 118.39 1x5h s PHE 92 Ca 0.17 -0.18 -0.11 0.00 0.12 0.00 0.00 56.93 56.94 1x5h s PHE 92 Cb -0.13 -0.44 0.04 0.00 -0.57 0.00 0.00 43.02 41.91 1x5h s PHE 92 CO 0.06 -0.01 0.33 -0.98 -0.10 0.00 0.00 175.22 174.51 1x5h s ARG 93 N -0.38 0.37 0.01 0.44 1.70 -1.05 -2.04 118.95 118.01 1x5h s ARG 93 Ca 0.02 0.50 0.06 0.00 -0.47 0.00 0.00 55.73 55.83 1x5h s ARG 93 Cb -0.04 0.13 -0.03 0.00 -0.57 0.00 0.00 34.95 34.44 1x5h s ARG 93 CO -0.00 -0.07 -0.15 0.08 -1.08 0.00 0.00 175.30 174.08 1x5h s VAL 94 N 0.43 3.01 -0.01 4.99 1.01 -1.26 -2.34 120.40 126.23 1x5h s VAL 94 Ca -0.02 -1.00 -0.05 0.00 0.00 0.00 0.00 61.98 60.91 1x5h s VAL 94 Cb -0.04 -2.26 0.00 0.00 0.00 0.00 0.00 36.38 34.09 1x5h s VAL 94 CO -0.02 0.41 0.10 0.00 0.00 0.00 0.00 175.10 175.59 1x5h s ALA 95 N -0.89 -0.23 0.07 5.51 0.00 -1.15 -0.38 121.76 124.67 1x5h s ALA 95 Ca 0.14 -0.09 -0.14 0.00 0.00 0.00 0.00 51.96 51.87 1x5h s ALA 95 Cb -0.11 0.03 -0.06 0.00 0.00 0.00 0.00 23.12 22.99 1x5h s ALA 95 CO 0.05 -0.16 0.46 0.00 0.00 0.00 0.00 175.76 176.11 1x5h s ALA 96 N -1.00 3.66 -0.07 0.00 0.00 -1.22 -0.40 121.76 122.73 1x5h s ALA 96 Ca -0.11 -0.20 0.05 0.00 0.00 0.00 0.00 51.96 51.70 1x5h s ALA 96 Cb -0.06 -2.43 -0.01 0.00 0.00 0.00 0.00 23.12 20.62 1x5h s ALA 96 CO 0.01 0.48 -0.24 -0.51 0.00 0.00 0.00 175.76 175.50 1x5h s LEU 97 N -1.51 2.13 0.30 0.00 1.43 0.12 0.14 118.68 121.29 1x5h s LEU 97 Ca 0.30 -0.51 0.03 0.00 -1.03 0.00 0.00 54.13 52.93 1x5h s LEU 97 Cb -0.16 -1.40 -0.04 0.00 0.03 0.00 0.00 46.19 44.62 1x5h s LEU 97 CO 0.17 0.22 0.17 0.42 0.23 0.00 0.00 176.35 177.56 1x5h s THR 98 N -0.00 0.27 0.67 5.49 -4.23 -0.33 -1.18 115.64 116.33 1x5h s THR 98 Ca -0.08 -2.00 0.43 0.00 -1.18 0.00 0.00 61.69 58.86 1x5h s THR 98 Cb -0.15 -2.50 0.43 0.00 1.34 0.00 0.00 72.50 71.62 1x5h s THR 98 CO 0.05 0.00 2.32 -0.29 -0.54 0.00 0.00 174.62 176.17 1x5h h ILE 99 N 2.22 0.01 -0.00 2.99 2.10 -1.97 0.24 117.51 123.11 1x5h h ILE 99 Ca -0.33 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.61 1x5h h ILE 99 Cb 1.25 0.96 0.00 0.00 -1.09 0.00 0.00 36.82 37.94 1x5h h ILE 99 CO 0.50 0.00 -0.04 0.59 -1.08 0.00 0.00 178.15 178.13 1x5h n ASN 100 N -3.08 0.04 0.00 2.19 3.02 -1.26 -5.02 115.26 111.15 1x5h n ASN 100 Ca -0.03 0.34 0.00 0.00 -0.03 0.00 0.00 54.58 54.86 1x5h n ASN 100 Cb 0.11 -0.41 0.00 0.00 -0.61 0.00 0.00 39.78 38.86 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 1.47 0.18 3.91 7.41 0.00 0.83 -4.13 105.19 114.85 1x5h n GLY 101 Ca 0.08 -1.61 -0.30 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.25 5.17 0.00 2.61 2.01 -1.26 -1.18 115.64 121.74 1x5h s THR 102 Ca 0.00 -0.06 0.00 0.00 0.31 0.00 0.00 61.69 61.94 1x5h s THR 102 Cb 0.00 -3.66 0.00 0.00 0.01 0.00 0.00 72.50 68.85 1x5h s THR 102 CO 0.00 -0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.51 1x5h n GLY 103 N -0.15 2.49 3.77 4.40 0.00 0.37 -4.28 105.19 111.79 1x5h n GLY 103 Ca -0.03 -2.15 -0.32 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 -1.97 2.48 -0.06 1.61 0.04 -1.26 -4.61 135.00 131.24 1x5h s PRO 104 Ca 0.00 1.27 0.04 0.00 0.04 0.00 0.00 61.00 62.35 1x5h s PRO 104 Cb 0.00 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.60 1x5h s PRO 104 CO 0.00 -1.48 -0.18 0.00 0.04 0.00 0.00 177.00 175.38 1x5h s ALA 105 N -2.66 2.50 0.21 8.56 0.00 -1.26 -3.42 121.76 125.69 1x5h s ALA 105 Ca 0.64 -1.00 -0.30 0.00 0.00 0.00 0.00 51.96 51.30 1x5h s ALA 105 Cb -0.19 -0.89 -0.09 0.00 0.00 0.00 0.00 23.12 21.96 1x5h s ALA 105 CO 0.50 0.49 1.28 0.95 0.00 0.00 0.00 175.76 178.98 1x5h s THR 106 N -0.49 3.24 0.18 0.00 -4.23 0.48 -4.91 115.64 109.92 1x5h s THR 106 Ca 0.06 1.05 -0.18 0.00 -1.18 0.00 0.00 61.69 61.44 1x5h s THR 106 Cb -0.12 -3.67 -0.12 0.00 1.34 0.00 0.00 72.50 69.94 1x5h s THR 106 CO 0.01 0.17 0.28 0.47 -0.54 0.00 0.00 174.62 175.01 1x5h n ASP 107 N 2.41 -1.19 -4.57 3.99 9.92 -1.26 -4.37 116.55 121.48 1x5h n ASP 107 Ca 0.05 0.73 -0.39 0.00 -0.53 0.00 0.00 54.79 54.65 1x5h n ASP 107 Cb 0.43 -0.65 -0.03 0.00 -0.64 0.00 0.00 41.12 40.23 1x5h n ASP 107 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 1x5h s TRP 108 N -0.83 1.26 -0.32 1.24 0.52 -1.26 -4.77 118.94 114.78 1x5h s TRP 108 Ca 0.44 1.09 -0.17 0.00 0.02 0.00 0.00 56.10 57.48 1x5h s TRP 108 Cb -0.59 -3.80 -0.01 0.00 -1.15 0.00 0.00 33.47 27.91 1x5h s TRP 108 CO 0.40 -2.94 0.46 -1.17 0.02 0.00 0.00 176.95 173.73 1x5h s LEU 109 N 10.20 4.26 0.16 2.99 2.96 -0.86 -4.89 118.68 133.50 1x5h s LEU 109 Ca 0.92 0.08 -0.17 0.00 -0.22 0.00 0.00 54.13 54.74 1x5h s LEU 109 Cb -0.21 -2.52 -0.07 0.00 0.50 0.00 0.00 46.19 43.88 1x5h s LEU 109 CO 0.28 -0.37 0.60 -0.44 -1.32 0.00 0.00 176.35 175.11 1x5h s SER 110 N 1.70 6.93 -0.03 3.68 0.01 -1.26 -1.43 113.70 123.31 1x5h s SER 110 Ca 0.17 1.21 -0.01 0.00 1.31 0.00 0.00 55.95 58.63 1x5h s SER 110 Cb -0.16 -2.34 0.03 0.00 0.21 0.00 0.00 66.02 63.76 1x5h s SER 110 CO 0.12 0.11 0.06 0.00 0.41 0.00 0.00 173.24 173.93 1x5h s ALA 111 N -1.42 -0.03 -0.37 1.44 0.00 0.97 -4.90 121.76 117.45 1x5h s ALA 111 Ca 0.38 0.34 -0.14 0.00 0.00 0.00 0.00 51.96 52.53 1x5h s ALA 111 Cb -0.16 -0.25 -0.00 0.00 0.00 0.00 0.00 23.12 22.71 1x5h s ALA 111 CO 0.20 -0.10 0.30 -2.00 0.00 0.00 0.00 175.76 174.16 1x5h s GLU 112 N 0.84 3.34 1.07 0.00 2.12 -1.26 0.66 118.70 125.48 1x5h s GLU 112 Ca -0.07 -0.70 -0.12 0.00 0.36 0.00 0.00 54.97 54.45 1x5h s GLU 112 Cb -0.10 -3.87 0.23 0.00 0.26 0.00 0.00 34.13 30.66 1x5h s GLU 112 CO -0.03 -0.58 1.07 0.95 -0.54 0.00 0.00 175.26 176.13 1x5h s THR 113 N 1.82 2.08 -0.04 -1.70 -4.23 -1.05 -4.88 115.64 107.64 1x5h s THR 113 Ca 0.08 0.02 -0.30 0.00 -1.18 0.00 0.00 61.69 60.31 1x5h s THR 113 Cb -0.18 -2.10 -0.03 0.00 1.34 0.00 0.00 72.50 71.54 1x5h s THR 113 CO 0.11 -0.03 1.06 -0.36 -0.54 0.00 0.00 174.62 174.85 1x5h s PHE 114 N -2.55 3.50 0.64 3.99 0.08 -1.26 -3.60 117.98 118.78 1x5h s PHE 114 Ca 0.68 1.53 0.19 0.00 0.12 0.00 0.00 56.93 59.45 1x5h s PHE 114 Cb -0.24 -3.24 0.95 0.00 -0.57 0.00 0.00 43.02 39.93 1x5h s PHE 114 CO 0.62 -0.48 1.51 0.93 -0.10 0.00 0.00 175.22 177.70 1x5h h GLU 115 N 7.02 0.00 -3.00 0.44 5.08 -1.92 -3.19 114.58 119.01 1x5h h GLU 115 Ca -0.36 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.98 1x5h h GLU 115 Cb 1.18 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.32 1x5h h GLU 115 CO 0.82 0.00 0.21 0.45 -1.00 0.00 0.00 179.01 179.49 1x5h s SER 116 N -3.92 -0.55 0.29 1.42 0.15 -1.26 -4.52 113.70 105.31 1x5h s SER 116 Ca -0.02 -0.04 0.04 0.00 0.70 0.00 0.00 55.95 56.63 1x5h s SER 116 Cb 0.08 0.61 0.67 0.00 -1.71 0.00 0.00 66.02 65.67 1x5h s SER 116 CO 0.27 -0.99 1.78 0.44 1.20 0.00 0.00 173.24 175.94 1x5h h ASP 117 N 2.00 0.76 -0.63 5.45 3.32 -1.99 -3.43 116.42 121.90 1x5h h ASP 117 Ca -0.33 0.09 -0.68 0.00 0.02 0.00 0.00 57.03 56.12 1x5h h ASP 117 Cb 1.31 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.81 1x5h h ASP 117 CO 0.37 0.30 0.66 0.18 -1.72 0.00 0.00 179.24 179.03 1x5h n LEU 118 N -4.77 0.89 -3.67 1.55 4.77 -1.26 -4.92 117.00 109.59 1x5h n LEU 118 Ca 0.21 0.86 -0.13 0.00 -0.03 0.00 0.00 56.01 56.93 1x5h n LEU 118 Cb 0.51 -0.71 -0.13 0.00 -2.33 0.00 0.00 43.42 40.77 1x5h n LEU 118 CO 0.22 -0.66 -0.12 -0.62 -1.33 0.00 0.00 177.39 174.88 1x5h s ASP 119 N 2.90 0.20 0.05 -1.43 2.15 -1.26 -4.99 116.67 114.29 1x5h s ASP 119 Ca 0.86 0.62 -0.12 0.00 0.43 0.00 0.00 52.55 54.34 1x5h s ASP 119 Cb -1.20 0.70 -0.06 0.00 -0.30 0.00 0.00 42.92 42.06 1x5h s ASP 119 CO 0.63 -0.23 0.42 -0.70 -0.17 0.00 0.00 175.17 175.12 1x5h s GLU 120 N 2.24 3.85 -0.14 4.34 2.56 -1.26 -5.08 118.70 125.20 1x5h s GLU 120 Ca -0.01 0.31 -0.10 0.00 0.00 0.00 0.00 54.97 55.17 1x5h s GLU 120 Cb -0.12 -3.09 -0.05 0.00 2.00 0.00 0.00 34.13 32.88 1x5h s GLU 120 CO -0.09 0.61 0.19 0.99 -0.56 0.00 0.00 175.26 176.41 1x5h s THR 121 N -1.26 5.39 0.19 -1.70 2.01 -1.26 -5.10 115.64 113.91 1x5h s THR 121 Ca 0.29 0.33 0.11 0.00 0.31 0.00 0.00 61.69 62.74 1x5h s THR 121 Cb -0.15 -3.50 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 1x5h s THR 121 CO 0.16 0.52 -0.23 0.00 -0.69 0.00 0.00 174.62 174.38 1x5h s ARG 122 N -0.36 1.48 -0.11 4.92 1.70 -1.26 -5.14 118.95 120.18 1x5h s ARG 122 Ca 0.14 -1.51 0.03 0.00 -0.47 0.00 0.00 55.73 53.92 1x5h s ARG 122 Cb -0.12 -1.77 -0.00 0.00 -0.57 0.00 0.00 34.95 32.49 1x5h s ARG 122 CO 0.03 0.38 -0.22 0.08 -1.08 0.00 0.00 175.30 174.49 1x5h s VAL 123 N -1.72 2.22 0.82 4.99 1.01 -1.26 -5.13 120.40 121.33 1x5h s VAL 123 Ca 0.20 -0.96 -0.11 0.00 0.00 0.00 0.00 61.98 61.11 1x5h s VAL 123 Cb -0.08 -1.87 0.09 0.00 0.00 0.00 0.00 36.38 34.52 1x5h s VAL 123 CO 0.09 0.55 1.09 -2.16 0.00 0.00 0.00 175.10 174.68 1x5h s PRO 124 N 0.40 1.85 0.32 2.72 0.04 -1.26 -5.07 135.00 134.00 1x5h s PRO 124 Ca -0.16 1.03 0.09 0.00 0.04 0.00 0.00 61.00 61.99 1x5h s PRO 124 Cb -0.17 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 1x5h s PRO 124 CO 0.07 -1.89 0.08 -2.00 0.04 0.00 0.00 177.00 173.31 1x5h s GLU 125 N -4.92 2.30 -0.03 4.56 2.12 -1.26 -5.12 118.70 116.35 1x5h s GLU 125 Ca 0.62 -1.55 -0.17 0.00 0.36 0.00 0.00 54.97 54.23 1x5h s GLU 125 Cb -0.17 -2.13 -0.05 0.00 0.26 0.00 0.00 34.13 32.04 1x5h s GLU 125 CO 0.56 0.18 0.47 0.08 -0.54 0.00 0.00 175.26 176.01 1x5h s VAL 126 N -2.42 5.03 0.39 3.70 1.01 -1.26 -5.09 120.40 121.77 1x5h s VAL 126 Ca 0.36 0.96 0.08 0.00 0.00 0.00 0.00 61.98 63.37 1x5h s VAL 126 Cb -0.03 -3.79 -0.01 0.00 0.00 0.00 0.00 36.38 32.55 1x5h s VAL 126 CO 0.21 0.47 0.44 -0.55 0.00 0.00 0.00 175.10 175.68 1x5h s SER 127 N -0.40 5.43 0.23 3.32 0.15 -1.26 -5.14 113.70 116.04 1x5h s SER 127 Ca 0.26 -0.51 0.05 0.00 0.70 0.00 0.00 55.95 56.44 1x5h s SER 127 Cb -0.17 -0.76 -0.05 0.00 -1.71 0.00 0.00 66.02 63.33 1x5h s SER 127 CO 0.13 -0.61 -0.05 -0.83 1.20 0.00 0.00 173.24 173.09 1x5h s GLY 128 N -4.19 1.58 0.73 9.45 0.00 -1.26 -5.15 107.32 108.48 1x5h s GLY 128 Ca 0.49 -1.77 -0.12 0.00 0.00 0.00 0.00 44.72 43.32 1x5h s GLY 128 CO 0.30 -1.72 1.10 2.56 0.00 0.00 0.00 173.10 175.34 1x5h s PRO 129 N -3.79 2.47 -0.21 2.90 0.04 -1.26 -5.02 135.00 130.14 1x5h s PRO 129 Ca 0.27 1.26 -0.16 0.00 0.04 0.00 0.00 61.00 62.41 1x5h s PRO 129 Cb 0.04 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.57 1x5h s PRO 129 CO 0.09 -1.49 -0.22 0.45 0.04 0.00 0.00 177.00 175.86 1x5h n SER 130 N -3.08 1.90 -3.88 6.66 2.88 -1.26 -5.06 113.62 111.79 1x5h n SER 130 Ca 0.10 0.41 -0.21 0.00 -1.33 0.00 0.00 58.87 57.84 1x5h n SER 130 Cb 0.53 -0.83 -0.09 0.00 -0.75 0.00 0.00 64.21 63.07 1x5h n SER 130 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x5h s SER 131 N -6.49 1.95 0.00 -3.46 1.04 -1.26 -5.38 113.70 100.10 1x5h s SER 131 Ca -0.29 -1.64 0.27 0.00 0.48 0.00 0.00 55.95 54.77 1x5h s SER 131 Cb 0.07 0.46 0.91 0.00 0.10 0.00 0.00 66.02 67.56 1x5h s SER 131 CO 0.43 -0.94 1.67 0.61 0.98 0.00 0.00 173.24 175.98