#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 5.07 -0.20 1.61 0.15 -1.26 -5.10 113.70 113.98 1x5h s SER 2 Ca 0.00 0.08 -0.31 0.00 0.70 0.00 0.00 55.95 56.42 1x5h s SER 2 Cb 0.00 -1.44 0.15 0.00 -1.71 0.00 0.00 66.02 63.02 1x5h s SER 2 CO 0.00 0.35 1.17 -0.55 1.20 0.00 0.00 173.24 175.41 1x5h s SER 3 N -0.73 -0.19 0.63 5.45 0.15 -1.26 -5.18 113.70 112.57 1x5h s SER 3 Ca 0.11 0.13 -0.03 0.00 0.70 0.00 0.00 55.95 56.86 1x5h s SER 3 Cb -0.11 0.17 0.05 0.00 -1.71 0.00 0.00 66.02 64.42 1x5h s SER 3 CO 0.02 -0.24 0.90 -0.83 1.20 0.00 0.00 173.24 174.30 1x5h s GLY 4 N -1.55 1.75 -0.30 9.45 0.00 -1.26 -5.08 107.32 110.33 1x5h s GLY 4 Ca 0.06 -1.10 -0.04 0.00 0.00 0.00 0.00 44.72 43.64 1x5h s GLY 4 CO -0.04 -0.75 0.02 -0.56 0.00 0.00 0.00 173.10 171.77 1x5h s SER 5 N -4.47 4.90 0.59 1.64 0.01 -1.26 -5.10 113.70 110.02 1x5h s SER 5 Ca 0.59 -1.05 0.03 0.00 1.31 0.00 0.00 55.95 56.82 1x5h s SER 5 Cb -0.11 -1.77 0.07 0.00 0.21 0.00 0.00 66.02 64.43 1x5h s SER 5 CO 0.42 -0.23 0.82 -0.55 0.41 0.00 0.00 173.24 174.11 1x5h s SER 6 N 1.35 4.99 -1.18 2.44 0.15 -1.26 -5.02 113.70 115.16 1x5h s SER 6 Ca -0.02 -0.32 -0.10 0.00 0.70 0.00 0.00 55.95 56.21 1x5h s SER 6 Cb -0.19 -0.36 0.22 0.00 -1.71 0.00 0.00 66.02 63.99 1x5h s SER 6 CO -0.00 -1.37 1.44 0.61 1.20 0.00 0.00 173.24 175.12 1x5h n GLY 7 N -2.43 4.20 3.53 9.45 0.00 -1.26 -4.90 105.19 113.78 1x5h n GLY 7 Ca 0.12 -2.30 -0.04 0.00 0.00 0.00 0.00 46.02 43.79 1x5h n GLY 7 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1x5h s ASP 8 N 1.21 -0.87 -1.07 1.61 1.47 -1.26 -5.09 116.67 112.66 1x5h s ASP 8 Ca 0.37 1.39 -0.14 0.00 1.18 0.00 0.00 52.55 55.35 1x5h s ASP 8 Cb -0.01 1.94 0.20 0.00 -0.34 0.00 0.00 42.92 44.70 1x5h s ASP 8 CO -0.00 -0.22 1.20 -0.69 0.68 0.00 0.00 175.17 176.13 1x5h s VAL 9 N 2.70 5.28 -0.29 2.11 1.01 -1.26 -4.93 120.40 125.02 1x5h s VAL 9 Ca -0.05 -2.58 -0.13 0.00 0.00 0.00 0.00 61.98 59.22 1x5h s VAL 9 Cb -0.11 -4.75 0.11 0.00 0.00 0.00 0.00 36.38 31.63 1x5h s VAL 9 CO -0.17 -1.41 0.67 0.00 0.00 0.00 0.00 175.10 174.18 1x5h s ALA 10 N 0.93 -1.98 -0.22 5.51 0.00 -1.26 -5.15 121.76 119.60 1x5h s ALA 10 Ca 0.34 2.38 -0.13 0.00 0.00 0.00 0.00 51.96 54.56 1x5h s ALA 10 Cb -0.06 -1.63 -0.05 0.00 0.00 0.00 0.00 23.12 21.38 1x5h s ALA 10 CO -0.05 -0.70 0.25 0.54 0.00 0.00 0.00 175.76 175.80 1x5h s VAL 11 N 2.37 5.30 -0.25 0.00 0.11 -1.26 -4.97 120.40 121.71 1x5h s VAL 11 Ca -0.08 0.40 -0.11 0.00 -2.93 0.00 0.00 61.98 59.26 1x5h s VAL 11 Cb -0.09 -3.59 -0.16 0.00 -1.53 0.00 0.00 36.38 31.01 1x5h s VAL 11 CO -0.19 0.32 -0.15 0.54 -3.33 0.00 0.00 175.10 172.29 1x5h n ARG 12 N 4.23 0.62 -3.92 1.54 1.74 -1.26 -4.85 116.66 114.75 1x5h n ARG 12 Ca -0.12 0.30 -0.34 0.00 -0.77 0.00 0.00 57.85 56.91 1x5h n ARG 12 Cb 0.52 -1.57 -0.14 0.00 -1.02 0.00 0.00 32.46 30.25 1x5h n ARG 12 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1x5h s THR 13 N -2.49 2.79 0.07 0.55 -4.23 -1.26 -4.96 115.64 106.11 1x5h s THR 13 Ca -0.34 -1.83 -0.16 0.00 -1.18 0.00 0.00 61.69 58.18 1x5h s THR 13 Cb 0.11 -2.80 -0.15 0.00 1.34 0.00 0.00 72.50 71.00 1x5h s THR 13 CO 0.56 -0.37 1.30 -0.07 -0.54 0.00 0.00 174.62 175.50 1x5h h LEU 14 N 7.89 0.72 -8.17 4.79 4.07 -1.90 -3.47 115.31 119.25 1x5h h LEU 14 Ca -0.15 -0.59 -0.13 0.00 0.08 0.00 0.00 57.88 57.09 1x5h h LEU 14 Cb 1.04 -0.21 -0.14 0.00 1.08 0.00 0.00 40.66 42.43 1x5h h LEU 14 CO 0.56 1.19 -0.48 -0.94 -1.08 0.00 0.00 178.44 177.69 1x5h s SER 15 N -6.73 0.20 0.16 -0.43 1.04 -1.26 -5.06 113.70 101.62 1x5h s SER 15 Ca -0.12 -0.96 -0.29 0.00 0.48 0.00 0.00 55.95 55.06 1x5h s SER 15 Cb 0.07 0.34 -0.04 0.00 0.10 0.00 0.00 66.02 66.50 1x5h s SER 15 CO 0.84 -0.77 1.55 0.44 0.98 0.00 0.00 173.24 176.28 1x5h h ASP 16 N 2.77 -1.91 -2.74 7.02 3.32 -1.94 -3.41 116.42 119.52 1x5h h ASP 16 Ca -0.33 0.29 -0.58 0.00 0.02 0.00 0.00 57.03 56.42 1x5h h ASP 16 Cb 1.20 0.84 0.18 0.00 0.22 0.00 0.00 39.33 41.77 1x5h h ASP 16 CO 0.56 -0.30 -0.60 1.33 -1.72 0.00 0.00 179.24 178.50 1x5h n VAL 17 N -5.33 1.65 -2.26 -1.35 0.24 -1.26 -4.91 118.33 105.11 1x5h n VAL 17 Ca 0.01 -0.49 -0.36 0.00 -2.04 0.00 0.00 64.34 61.46 1x5h n VAL 17 Cb 0.31 -0.52 -0.01 0.00 -1.47 0.00 0.00 33.84 32.16 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 -1.90 3.63 -0.28 7.34 0.04 -1.26 -4.89 135.00 137.68 1x5h s PRO 18 Ca 0.65 1.72 0.08 0.00 0.04 0.00 0.00 61.00 63.50 1x5h s PRO 18 Cb -0.44 -2.28 0.46 0.00 0.04 0.00 0.00 34.50 32.27 1x5h s PRO 18 CO 0.58 -0.64 1.31 0.45 0.04 0.00 0.00 177.00 178.74 1x5h n SER 19 N -0.74 3.20 -4.06 6.66 2.88 -1.26 -4.01 113.62 116.30 1x5h n SER 19 Ca 0.09 -3.83 -0.23 0.00 -1.33 0.00 0.00 58.87 53.57 1x5h n SER 19 Cb 0.49 -0.52 -0.16 0.00 -0.75 0.00 0.00 64.21 63.27 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 -3.39 1.20 0.33 -1.46 0.00 -1.26 -4.94 121.76 112.24 1x5h s ALA 20 Ca 0.45 -0.50 0.09 0.00 0.00 0.00 0.00 51.96 52.01 1x5h s ALA 20 Cb 0.40 -0.43 -0.05 0.00 0.00 0.00 0.00 23.12 23.04 1x5h s ALA 20 CO -0.02 0.20 -0.01 0.00 0.00 0.00 0.00 175.76 175.93 1x5h s ALA 21 N 0.19 3.16 0.37 0.00 0.00 -1.26 -4.26 121.76 119.95 1x5h s ALA 21 Ca -0.05 -1.92 -0.27 0.00 0.00 0.00 0.00 51.96 49.73 1x5h s ALA 21 Cb -0.11 -0.41 -0.09 0.00 0.00 0.00 0.00 23.12 22.51 1x5h s ALA 21 CO 0.02 0.11 1.20 -1.25 0.00 0.00 0.00 175.76 175.84 1x5h s PRO 22 N -3.69 4.20 0.31 0.00 0.04 -1.26 -4.22 135.00 130.38 1x5h s PRO 22 Ca 0.34 1.95 0.03 0.00 0.04 0.00 0.00 61.00 63.36 1x5h s PRO 22 Cb -0.01 -2.85 0.03 0.00 0.04 0.00 0.00 34.50 31.70 1x5h s PRO 22 CO 0.19 -0.22 0.22 1.04 0.04 0.00 0.00 177.00 178.27 1x5h n GLN 23 N 0.42 1.04 -2.34 4.56 6.02 -0.77 -4.66 117.38 121.65 1x5h n GLN 23 Ca 0.02 -1.96 -0.14 0.00 -0.01 0.00 0.00 57.00 54.90 1x5h n GLN 23 Cb 0.45 0.22 -0.01 0.00 1.02 0.00 0.00 30.24 31.92 1x5h n GLN 23 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1x5h n ASN 24 N -1.88 -4.36 -4.69 1.08 3.02 -1.26 -1.38 115.26 105.79 1x5h n ASN 24 Ca -0.02 0.16 -0.33 0.00 -0.03 0.00 0.00 54.58 54.36 1x5h n ASN 24 Cb 0.36 -3.71 0.13 0.00 -0.61 0.00 0.00 39.78 35.95 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 -2.78 4.31 -3.59 3.41 7.94 -1.26 -4.52 117.00 120.52 1x5h n LEU 25 Ca -0.17 0.58 -0.04 0.00 -1.11 0.00 0.00 56.01 55.26 1x5h n LEU 25 Cb 0.62 -1.50 -0.02 0.00 0.53 0.00 0.00 43.42 43.05 1x5h n LEU 25 CO 0.20 -1.74 0.93 -0.44 -1.11 0.00 0.00 177.39 175.23 1x5h s SER 26 N -2.14 -0.18 -0.28 1.96 0.01 0.35 -4.96 113.70 108.46 1x5h s SER 26 Ca 0.73 -0.04 -0.02 0.00 1.31 0.00 0.00 55.95 57.93 1x5h s SER 26 Cb -0.29 0.22 0.09 0.00 0.21 0.00 0.00 66.02 66.25 1x5h s SER 26 CO 0.51 -0.36 0.08 -0.76 0.41 0.00 0.00 173.24 173.12 1x5h s LEU 27 N -2.39 1.70 -1.01 2.44 1.43 -1.26 -1.04 118.68 118.56 1x5h s LEU 27 Ca 0.09 -1.37 -0.18 0.00 -1.03 0.00 0.00 54.13 51.64 1x5h s LEU 27 Cb -0.00 -0.72 0.12 0.00 0.03 0.00 0.00 46.19 45.62 1x5h s LEU 27 CO -0.05 -0.39 1.25 -0.70 0.23 0.00 0.00 176.35 176.69 1x5h s GLU 28 N 1.75 3.70 -0.47 1.70 2.56 0.56 -4.87 118.70 123.63 1x5h s GLU 28 Ca 0.07 -1.81 -0.31 0.00 0.00 0.00 0.00 54.97 52.91 1x5h s GLU 28 Cb -0.17 -5.04 -0.11 0.00 2.00 0.00 0.00 34.13 30.81 1x5h s GLU 28 CO -0.22 -1.86 2.34 0.28 -0.56 0.00 0.00 175.26 175.23 1x5h n VAL 29 N 5.60 0.10 0.02 3.70 0.31 -1.26 -2.27 118.33 124.53 1x5h n VAL 29 Ca 0.29 -0.40 -0.18 0.00 -0.01 0.00 0.00 64.34 64.03 1x5h n VAL 29 Cb 0.48 -1.93 -0.13 0.00 -0.91 0.00 0.00 33.84 31.35 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 14.77 0.29 0.00 5.55 2.47 -1.89 -3.47 114.38 132.11 1x5h h ARG 30 Ca -0.25 -0.43 -0.29 0.00 -1.26 0.00 0.00 59.98 57.75 1x5h h ARG 30 Cb 1.29 0.15 -0.07 0.00 -1.65 0.00 0.00 29.97 29.69 1x5h h ARG 30 CO 1.11 1.16 -0.27 0.09 0.56 0.00 0.00 179.97 182.61 1x5h n ASN 31 N -4.22 0.04 0.12 7.04 3.02 -0.63 -5.00 115.26 115.64 1x5h n ASN 31 Ca -0.12 -2.29 0.13 0.00 -0.03 0.00 0.00 54.58 52.27 1x5h n ASN 31 Cb 0.73 0.87 0.30 0.00 -0.61 0.00 0.00 39.78 41.07 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 1.13 0.00 0.00 6.41 4.64 -1.88 -3.29 113.55 120.57 1x5h h SER 32 Ca -0.15 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1x5h h SER 32 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1x5h h SER 32 CO 0.23 0.02 -0.17 2.29 -0.87 0.00 0.00 176.83 178.32 1x5h n LYS 33 N -2.44 5.83 -4.84 4.77 -0.00 -1.26 -3.01 118.16 117.22 1x5h n LYS 33 Ca 0.05 -0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 58.09 1x5h n LYS 33 Cb 0.46 -0.65 -0.15 0.00 -0.00 0.00 0.00 35.03 34.69 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 -1.31 2.48 -0.05 -5.58 1.04 -1.24 0.95 113.70 110.00 1x5h s SER 34 Ca 0.01 -0.45 0.01 0.00 0.48 0.00 0.00 55.95 56.00 1x5h s SER 34 Cb 0.02 -0.24 0.02 0.00 0.10 0.00 0.00 66.02 65.92 1x5h s SER 34 CO 0.11 0.21 -0.04 -0.63 0.98 0.00 0.00 173.24 173.87 1x5h s ILE 35 N -0.64 0.52 0.03 -1.02 1.01 0.10 -1.60 121.20 119.60 1x5h s ILE 35 Ca 0.08 -0.11 -0.20 0.00 0.00 0.00 0.00 60.65 60.43 1x5h s ILE 35 Cb -0.08 -0.56 -0.06 0.00 0.01 0.00 0.00 42.46 41.77 1x5h s ILE 35 CO 0.01 0.23 0.57 -0.32 0.00 0.00 0.00 174.94 175.42 1x5h s MET 36 N 0.97 4.24 -0.19 2.79 -2.45 -0.96 -0.84 119.30 122.86 1x5h s MET 36 Ca -0.10 0.71 -0.02 0.00 -1.25 0.00 0.00 55.69 55.03 1x5h s MET 36 Cb -0.14 -3.28 -0.00 0.00 1.25 0.00 0.00 34.83 32.65 1x5h s MET 36 CO -0.00 0.52 -0.10 0.42 1.05 0.00 0.00 175.02 176.91 1x5h s ILE 37 N -0.70 2.98 -0.17 10.11 1.01 0.21 -0.32 121.20 134.32 1x5h s ILE 37 Ca 0.29 -0.64 0.01 0.00 0.00 0.00 0.00 60.65 60.31 1x5h s ILE 37 Cb -0.19 -2.31 0.02 0.00 0.01 0.00 0.00 42.46 39.99 1x5h s ILE 37 CO 0.18 0.48 -0.19 -1.00 0.00 0.00 0.00 174.94 174.40 1x5h s HIS 38 N 1.15 2.67 0.19 3.97 3.76 -0.20 -1.64 115.29 125.19 1x5h s HIS 38 Ca 0.01 -1.55 0.01 0.00 -0.15 0.00 0.00 55.06 53.38 1x5h s HIS 38 Cb -0.14 -1.86 -0.05 0.00 1.11 0.00 0.00 32.58 31.64 1x5h s HIS 38 CO -0.03 -0.77 0.06 1.67 -0.85 0.00 0.00 174.74 174.81 1x5h s TRP 39 N 1.28 1.23 0.14 1.40 -2.14 -0.47 -0.50 118.94 119.88 1x5h s TRP 39 Ca 0.04 -1.16 0.08 0.00 2.66 0.00 0.00 56.10 57.73 1x5h s TRP 39 Cb -0.13 -0.69 -0.04 0.00 -3.10 0.00 0.00 33.47 29.51 1x5h s TRP 39 CO -0.12 -0.36 -0.19 -0.65 -2.66 0.00 0.00 176.95 172.97 1x5h s GLN 40 N -4.01 1.20 0.41 3.25 -1.52 -0.48 -4.69 119.66 113.83 1x5h s GLN 40 Ca 0.30 -1.30 -0.25 0.00 -1.95 0.00 0.00 55.36 52.16 1x5h s GLN 40 Cb 0.07 -1.33 -0.08 0.00 -0.22 0.00 0.00 33.01 31.45 1x5h s GLN 40 CO 0.07 0.28 1.18 -1.25 -0.25 0.00 0.00 175.29 175.33 1x5h s PRO 41 N -2.44 3.99 1.03 2.91 0.04 -1.26 -1.85 135.00 137.42 1x5h s PRO 41 Ca 0.12 1.86 -0.13 0.00 0.04 0.00 0.00 61.00 62.88 1x5h s PRO 41 Cb -0.07 -2.63 0.21 0.00 0.04 0.00 0.00 34.50 32.04 1x5h s PRO 41 CO 0.05 -0.38 1.09 -1.25 0.04 0.00 0.00 177.00 176.56 1x5h s PRO 42 N -2.36 0.14 0.50 0.56 0.04 -1.26 -4.59 135.00 128.02 1x5h s PRO 42 Ca 0.58 0.43 -0.23 0.00 0.04 0.00 0.00 61.00 61.82 1x5h s PRO 42 Cb -0.31 -1.71 -0.07 0.00 0.04 0.00 0.00 34.50 32.45 1x5h s PRO 42 CO 0.39 -2.91 1.26 0.00 0.04 0.00 0.00 177.00 175.78 1x5h n ALA 43 N -4.28 1.23 0.11 8.56 0.00 -1.26 -4.89 120.51 119.98 1x5h n ALA 43 Ca 0.06 0.17 -0.02 0.00 0.00 0.00 0.00 53.44 53.65 1x5h n ALA 43 Cb 0.58 -2.28 0.21 0.00 0.00 0.00 0.00 19.45 17.96 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 1.60 0.19 -0.12 0.00 0.13 -1.95 -2.36 132.00 129.49 1x5h h PRO 44 Ca -0.49 -0.10 -0.08 0.00 -0.87 0.00 0.00 66.00 64.47 1x5h h PRO 44 Cb 1.31 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 1x5h h PRO 44 CO 0.57 0.62 -0.26 0.00 -0.23 0.00 0.00 178.00 178.70 1x5h h ALA 45 N 1.37 1.33 0.10 -0.56 0.00 -2.05 -3.15 119.26 116.31 1x5h h ALA 45 Ca 0.01 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 54.48 1x5h h ALA 45 Cb 0.89 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.60 1x5h h ALA 45 CO 0.07 0.46 -0.63 1.79 0.00 0.00 0.00 179.25 180.94 1x5h h THR 46 N 0.20 1.57 -1.33 0.00 1.35 -1.90 -3.47 112.91 109.32 1x5h h THR 46 Ca 0.03 -2.48 -0.61 0.00 -0.55 0.00 0.00 66.41 62.79 1x5h h THR 46 Cb 0.58 3.23 0.13 0.00 -1.73 0.00 0.00 68.15 70.36 1x5h h THR 46 CO 0.04 0.69 -0.74 0.00 -0.25 0.00 0.00 175.52 175.26 1x5h n GLN 47 N -4.25 0.00 -0.00 4.72 6.02 -0.90 -4.78 117.38 118.19 1x5h n GLN 47 Ca -0.13 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 56.87 1x5h n GLN 47 Cb 0.74 -0.95 -0.02 0.00 1.02 0.00 0.00 30.24 31.02 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 2.10 2.79 -3.49 1.08 3.02 -1.26 -5.01 115.26 114.49 1x5h n ASN 48 Ca 0.13 -0.20 -0.12 0.00 -0.03 0.00 0.00 54.58 54.36 1x5h n ASN 48 Cb 0.32 1.11 -0.03 0.00 -0.61 0.00 0.00 39.78 40.56 1x5h n ASN 48 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1x5h s GLY 49 N -2.03 -0.51 0.23 7.41 0.00 -1.26 -5.03 107.32 106.13 1x5h s GLY 49 Ca -0.00 1.07 -0.32 0.00 0.00 0.00 0.00 44.72 45.47 1x5h s GLY 49 CO 0.15 0.52 1.46 0.61 0.00 0.00 0.00 173.10 175.84 1x5h n GLN 50 N 0.12 2.15 -2.57 2.90 10.64 -1.26 -4.92 117.38 124.44 1x5h n GLN 50 Ca -0.14 0.77 -0.43 0.00 -1.83 0.00 0.00 57.00 55.37 1x5h n GLN 50 Cb 0.61 -2.46 -0.02 0.00 -0.86 0.00 0.00 30.24 27.51 1x5h n GLN 50 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 1x5h s ILE 51 N 0.13 4.53 -0.08 -0.39 1.01 -1.26 -4.31 121.20 120.83 1x5h s ILE 51 Ca 0.69 1.83 0.14 0.00 0.00 0.00 0.00 60.65 63.32 1x5h s ILE 51 Cb -0.63 -4.18 -0.23 0.00 0.01 0.00 0.00 42.46 37.42 1x5h s ILE 51 CO 0.47 -0.09 0.54 0.35 0.00 0.00 0.00 174.94 176.21 1x5h n THR 52 N 5.00 1.54 -3.56 2.92 -2.24 -0.07 -4.67 114.28 113.20 1x5h n THR 52 Ca 0.11 -0.81 0.04 0.00 -2.27 0.00 0.00 64.05 61.12 1x5h n THR 52 Cb 0.46 -0.90 -0.00 0.00 -2.10 0.00 0.00 70.33 67.80 1x5h n THR 52 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1x5h s GLY 53 N -5.18 -0.50 0.03 3.38 0.00 -1.20 -2.28 107.32 101.58 1x5h s GLY 53 Ca -0.06 0.95 0.07 0.00 0.00 0.00 0.00 44.72 45.68 1x5h s GLY 53 CO 0.83 0.18 -0.18 -0.19 0.00 0.00 0.00 173.10 173.73 1x5h s TYR 54 N -2.06 2.55 -0.48 1.90 1.51 -1.24 0.11 117.35 119.65 1x5h s TYR 54 Ca 0.15 -0.26 -0.09 0.00 -1.01 0.00 0.00 57.07 55.86 1x5h s TYR 54 Cb 0.08 -1.47 0.12 0.00 -0.11 0.00 0.00 41.96 40.57 1x5h s TYR 54 CO -0.07 0.24 0.35 0.21 -1.11 0.00 0.00 175.55 175.16 1x5h s LYS 55 N -1.36 2.46 -0.32 -0.62 2.20 0.11 -2.12 119.74 120.09 1x5h s LYS 55 Ca 0.14 -1.81 -0.17 0.00 -0.36 0.00 0.00 55.97 53.77 1x5h s LYS 55 Cb -0.10 -3.90 -0.01 0.00 -1.51 0.00 0.00 37.83 32.30 1x5h s LYS 55 CO 0.05 -1.19 0.48 0.42 -0.36 0.00 0.00 175.35 174.75 1x5h s ILE 56 N 1.28 5.06 0.08 5.43 1.01 0.84 -2.62 121.20 132.27 1x5h s ILE 56 Ca 0.06 0.47 0.10 0.00 0.00 0.00 0.00 60.65 61.28 1x5h s ILE 56 Cb -0.25 -3.89 -0.03 0.00 0.01 0.00 0.00 42.46 38.29 1x5h s ILE 56 CO -0.01 -0.09 -0.26 -0.13 0.00 0.00 0.00 174.94 174.44 1x5h s ARG 57 N 2.31 1.62 0.06 2.79 0.52 -0.63 -0.52 118.95 125.10 1x5h s ARG 57 Ca 0.18 -1.18 -0.10 0.00 -0.52 0.00 0.00 55.73 54.11 1x5h s ARG 57 Cb -0.16 -1.90 0.00 0.00 0.52 0.00 0.00 34.95 33.42 1x5h s ARG 57 CO 0.12 0.48 0.21 1.52 0.02 0.00 0.00 175.30 177.65 1x5h s TYR 58 N -0.90 0.07 0.33 -0.53 1.13 -1.14 -1.34 117.35 114.97 1x5h s TYR 58 Ca 0.12 -0.37 0.04 0.00 -1.41 0.00 0.00 57.07 55.45 1x5h s TYR 58 Cb -0.10 -0.02 -0.02 0.00 -1.10 0.00 0.00 41.96 40.72 1x5h s TYR 58 CO 0.03 -0.49 0.34 -0.98 -2.51 0.00 0.00 175.55 171.94 1x5h s ARG 59 N -3.14 1.80 -0.18 -3.49 1.70 -0.85 -1.40 118.95 113.39 1x5h s ARG 59 Ca -0.01 -1.94 -0.10 0.00 -0.47 0.00 0.00 55.73 53.22 1x5h s ARG 59 Cb 0.02 0.36 -0.05 0.00 -0.57 0.00 0.00 34.95 34.71 1x5h s ARG 59 CO -0.07 -0.69 0.15 0.15 -1.08 0.00 0.00 175.30 173.75 1x5h s LYS 60 N -3.32 4.08 0.21 3.89 1.02 -1.10 -2.45 119.74 122.07 1x5h s LYS 60 Ca 0.38 -0.17 -0.12 0.00 0.02 0.00 0.00 55.97 56.08 1x5h s LYS 60 Cb 0.02 -3.38 0.27 0.00 -0.52 0.00 0.00 37.83 34.22 1x5h s LYS 60 CO 0.25 0.37 1.65 0.00 -0.92 0.00 0.00 175.35 176.70 1x5h h ALA 61 N 6.39 0.53 -0.41 5.17 0.00 -1.93 0.51 119.26 129.52 1x5h h ALA 61 Ca -0.43 0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.54 1x5h h ALA 61 Cb 1.16 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 1x5h h ALA 61 CO 0.73 -0.41 -0.32 1.03 0.00 0.00 0.00 179.25 180.28 1x5h h SER 62 N 0.06 0.96 -3.30 0.00 0.87 -1.94 -3.37 113.55 106.83 1x5h h SER 62 Ca 0.32 -0.41 -0.62 0.00 -1.23 0.00 0.00 61.79 59.85 1x5h h SER 62 Cb 0.51 -0.27 -0.41 0.00 -0.44 0.00 0.00 62.40 61.79 1x5h h SER 62 CO -0.58 1.19 -0.69 -0.60 -0.53 0.00 0.00 176.83 175.62 1x5h s ARG 63 N -4.49 1.83 0.09 2.24 6.06 -0.21 -4.95 118.95 119.52 1x5h s ARG 63 Ca -0.11 -2.69 -0.19 0.00 -2.50 0.00 0.00 55.73 50.24 1x5h s ARG 63 Cb 0.12 -2.81 -0.08 0.00 0.06 0.00 0.00 34.95 32.24 1x5h s ARG 63 CO 0.87 -1.24 1.59 0.87 -2.50 0.00 0.00 175.30 174.89 1x5h h LYS 64 N 5.96 0.36 -0.73 5.12 6.56 -1.16 -2.90 116.57 129.78 1x5h h LYS 64 Ca 0.09 -0.08 0.12 0.00 -1.06 0.00 0.00 60.65 59.72 1x5h h LYS 64 Cb 0.85 -0.05 -0.12 0.00 -0.57 0.00 0.00 32.23 32.33 1x5h h LYS 64 CO 0.60 0.46 -0.26 0.43 -2.06 0.00 0.00 179.45 178.63 1x5h n SER 65 N -4.75 -0.41 -4.59 0.86 7.64 -1.26 -3.83 113.62 107.28 1x5h n SER 65 Ca -0.03 1.28 -0.42 0.00 1.01 0.00 0.00 58.87 60.71 1x5h n SER 65 Cb 0.17 -0.32 -0.03 0.00 -1.01 0.00 0.00 64.21 63.02 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 -5.24 5.66 0.01 6.43 2.15 -1.19 -4.97 116.67 119.52 1x5h s ASP 66 Ca -0.10 1.13 0.05 0.00 0.43 0.00 0.00 52.55 54.06 1x5h s ASP 66 Cb 0.16 -2.52 -0.02 0.00 -0.30 0.00 0.00 42.92 40.24 1x5h s ASP 66 CO 0.54 -1.93 -0.16 -0.69 -0.17 0.00 0.00 175.17 172.76 1x5h s VAL 67 N 7.72 1.27 -0.18 1.11 1.01 -1.25 -3.67 120.40 126.41 1x5h s VAL 67 Ca 0.79 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.90 1x5h s VAL 67 Cb -0.21 -1.09 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 1x5h s VAL 67 CO 0.31 0.22 -0.07 -0.89 0.00 0.00 0.00 175.10 174.67 1x5h s THR 68 N -0.58 3.36 -0.11 3.92 2.01 -0.49 -4.97 115.64 118.78 1x5h s THR 68 Ca 0.05 -0.52 -0.20 0.00 0.31 0.00 0.00 61.69 61.33 1x5h s THR 68 Cb -0.07 -2.48 -0.04 0.00 0.01 0.00 0.00 72.50 69.92 1x5h s THR 68 CO 0.00 0.47 0.57 -0.70 -0.69 0.00 0.00 174.62 174.27 1x5h s GLU 69 N 0.95 4.35 -0.08 4.92 -6.30 -1.26 -2.88 118.70 118.40 1x5h s GLU 69 Ca -0.01 0.61 0.02 0.00 -2.50 0.00 0.00 54.97 53.09 1x5h s GLU 69 Cb -0.15 -3.46 0.01 0.00 0.00 0.00 0.00 34.13 30.54 1x5h s GLU 69 CO 0.00 0.08 -0.13 0.99 0.02 0.00 0.00 175.26 176.22 1x5h s THR 70 N 0.85 1.23 -0.06 -1.70 2.01 0.32 -5.01 115.64 113.27 1x5h s THR 70 Ca 0.30 -0.51 -0.00 0.00 0.31 0.00 0.00 61.69 61.79 1x5h s THR 70 Cb -0.16 -1.13 -0.03 0.00 0.01 0.00 0.00 72.50 71.19 1x5h s THR 70 CO 0.13 0.38 -0.01 -0.22 -0.69 0.00 0.00 174.62 174.21 1x5h s LEU 71 N 0.82 3.49 0.00 4.42 2.96 -1.26 -0.11 118.68 128.99 1x5h s LEU 71 Ca -0.11 0.07 0.03 0.00 -0.22 0.00 0.00 54.13 53.89 1x5h s LEU 71 Cb -0.15 -1.86 -0.01 0.00 0.50 0.00 0.00 46.19 44.67 1x5h s LEU 71 CO 0.02 0.34 0.09 1.33 -1.32 0.00 0.00 176.35 176.82 1x5h n VAL 72 N 1.92 0.00 -2.41 1.68 0.24 -0.90 -5.00 118.33 113.86 1x5h n VAL 72 Ca -0.17 -2.09 -0.29 0.00 -2.04 0.00 0.00 64.34 59.74 1x5h n VAL 72 Cb 0.53 0.66 -0.01 0.00 -1.47 0.00 0.00 33.84 33.56 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 -3.27 6.33 0.05 -1.34 0.01 -1.26 -3.71 113.70 110.51 1x5h s SER 73 Ca 0.13 1.18 -0.26 0.00 1.31 0.00 0.00 55.95 58.31 1x5h s SER 73 Cb 0.01 -2.36 -0.17 0.00 0.21 0.00 0.00 66.02 63.71 1x5h s SER 73 CO 0.09 -0.64 1.53 1.23 0.41 0.00 0.00 173.24 175.86 1x5h h GLY 74 N 0.30 -0.30 1.59 3.44 0.00 -1.73 -2.32 103.07 104.05 1x5h h GLY 74 Ca -0.46 0.11 0.00 0.00 0.00 0.00 0.00 47.33 46.98 1x5h h GLY 74 CO 0.62 -0.11 0.00 -0.37 0.00 0.00 0.00 176.54 176.68 1x5h n THR 75 N -5.15 0.70 -2.99 4.70 5.66 -1.26 -4.62 114.28 111.33 1x5h n THR 75 Ca -0.09 0.17 -0.41 0.00 -3.05 0.00 0.00 64.05 60.67 1x5h n THR 75 Cb 0.19 -0.97 -0.05 0.00 -1.55 0.00 0.00 70.33 67.95 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 -2.59 4.11 -0.07 1.09 0.74 -0.87 -4.91 119.66 117.15 1x5h s GLN 76 Ca 0.11 0.72 0.15 0.00 0.05 0.00 0.00 55.36 56.39 1x5h s GLN 76 Cb 0.08 -3.66 0.49 0.00 1.10 0.00 0.00 33.01 31.01 1x5h s GLN 76 CO 0.19 -0.51 1.41 1.28 -0.55 0.00 0.00 175.29 177.11 1x5h n LEU 77 N 5.93 3.68 -3.68 3.68 4.77 -1.26 -4.73 117.00 125.39 1x5h n LEU 77 Ca 0.03 -2.37 -0.13 0.00 -0.03 0.00 0.00 56.01 53.51 1x5h n LEU 77 Cb 0.48 -0.41 -0.07 0.00 -2.33 0.00 0.00 43.42 41.09 1x5h n LEU 77 CO 0.46 0.75 0.14 -0.44 -1.33 0.00 0.00 177.39 176.97 1x5h s SER 78 N -1.22 -0.29 -0.16 -1.43 0.01 -1.26 -1.37 113.70 107.99 1x5h s SER 78 Ca 0.36 0.10 -0.15 0.00 1.31 0.00 0.00 55.95 57.57 1x5h s SER 78 Cb 0.24 0.40 0.04 0.00 0.21 0.00 0.00 66.02 66.90 1x5h s SER 78 CO 0.17 -0.59 0.43 -1.58 0.41 0.00 0.00 173.24 172.08 1x5h s GLN 79 N -1.98 0.51 -0.23 12.44 2.00 -0.65 -4.98 119.66 126.76 1x5h s GLN 79 Ca -0.08 0.58 -0.10 0.00 -2.00 0.00 0.00 55.36 53.75 1x5h s GLN 79 Cb -0.02 0.25 -0.05 0.00 0.80 0.00 0.00 33.01 33.99 1x5h s GLN 79 CO 0.01 -0.06 0.14 -1.17 -0.50 0.00 0.00 175.29 173.71 1x5h s LEU 80 N 0.19 4.06 -0.36 3.68 2.96 -1.26 -0.62 118.68 127.32 1x5h s LEU 80 Ca -0.00 0.10 -0.09 0.00 -0.22 0.00 0.00 54.13 53.92 1x5h s LEU 80 Cb -0.03 -2.08 0.04 0.00 0.50 0.00 0.00 46.19 44.61 1x5h s LEU 80 CO 0.01 0.08 0.16 -0.63 -1.32 0.00 0.00 176.35 174.65 1x5h s ILE 81 N 0.98 4.21 0.37 6.68 -1.09 -0.02 -4.96 121.20 127.37 1x5h s ILE 81 Ca 0.07 -1.01 0.07 0.00 -2.23 0.00 0.00 60.65 57.56 1x5h s ILE 81 Cb -0.13 -3.37 -0.02 0.00 -1.58 0.00 0.00 42.46 37.36 1x5h s ILE 81 CO 0.04 -0.22 0.40 -1.61 -1.23 0.00 0.00 174.94 172.31 1x5h s GLU 82 N 1.48 2.79 0.00 2.79 2.02 -1.26 -0.72 118.70 125.79 1x5h s GLU 82 Ca 0.00 -1.28 0.00 0.00 0.02 0.00 0.00 54.97 53.72 1x5h s GLU 82 Cb -0.19 -2.58 0.00 0.00 0.10 0.00 0.00 34.13 31.46 1x5h s GLU 82 CO 0.05 -0.04 0.00 0.41 0.02 0.00 0.00 175.26 175.70 1x5h n GLY 83 N -1.56 1.05 3.70 -1.39 0.00 -0.83 -4.96 105.19 101.20 1x5h n GLY 83 Ca 0.01 -0.31 -0.25 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.34 3.08 0.25 0.99 1.43 0.27 -5.03 118.68 119.32 1x5h s LEU 84 Ca 0.00 -1.04 0.07 0.00 -1.03 0.00 0.00 54.13 52.13 1x5h s LEU 84 Cb 0.00 -1.41 -0.04 0.00 0.03 0.00 0.00 46.19 44.78 1x5h s LEU 84 CO 0.00 -0.42 0.20 -1.81 0.23 0.00 0.00 176.35 174.55 1x5h s ASP 85 N -3.83 5.57 0.72 2.29 1.01 -1.26 -3.98 116.67 117.19 1x5h s ASP 85 Ca 0.38 -0.23 -0.11 0.00 0.71 0.00 0.00 52.55 53.30 1x5h s ASP 85 Cb 0.02 -1.43 0.03 0.00 1.01 0.00 0.00 42.92 42.55 1x5h s ASP 85 CO 0.21 -0.04 1.10 0.00 0.21 0.00 0.00 175.17 176.66 1x5h s ARG 86 N -3.82 2.65 -1.44 8.23 1.70 -1.16 -4.15 118.95 120.95 1x5h s ARG 86 Ca 0.33 0.34 -0.06 0.00 -0.47 0.00 0.00 55.73 55.87 1x5h s ARG 86 Cb -0.08 -2.03 0.01 0.00 -0.57 0.00 0.00 34.95 32.28 1x5h s ARG 86 CO 0.25 -1.14 0.11 0.41 -1.08 0.00 0.00 175.30 173.85 1x5h n GLY 87 N -3.05 -0.23 3.06 3.88 0.00 -1.26 -4.93 105.19 102.68 1x5h n GLY 87 Ca 0.07 0.20 -0.12 0.00 0.00 0.00 0.00 46.02 46.16 1x5h n GLY 87 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x5h s THR 88 N -4.22 -0.39 0.33 2.61 2.01 -1.26 -5.00 115.64 109.72 1x5h s THR 88 Ca 0.08 0.24 -0.28 0.00 0.31 0.00 0.00 61.69 62.04 1x5h s THR 88 Cb -0.04 -0.48 -0.10 0.00 0.01 0.00 0.00 72.50 71.89 1x5h s THR 88 CO 0.96 0.10 1.26 -0.70 -0.69 0.00 0.00 174.62 175.55 1x5h s GLU 89 N 2.27 4.37 0.03 4.92 2.12 -1.26 -3.84 118.70 127.31 1x5h s GLU 89 Ca -0.01 2.11 0.02 0.00 0.36 0.00 0.00 54.97 57.46 1x5h s GLU 89 Cb -0.12 -3.05 -0.02 0.00 0.26 0.00 0.00 34.13 31.20 1x5h s GLU 89 CO -0.09 -0.14 -0.07 0.71 -0.54 0.00 0.00 175.26 175.13 1x5h s TYR 90 N -1.17 0.64 -0.12 5.30 2.02 -0.60 -3.35 117.35 120.06 1x5h s TYR 90 Ca 0.49 -0.42 -0.03 0.00 -0.37 0.00 0.00 57.07 56.74 1x5h s TYR 90 Cb -0.38 -0.39 -0.03 0.00 -0.40 0.00 0.00 41.96 40.77 1x5h s TYR 90 CO 0.50 -0.07 -0.02 -0.80 -1.57 0.00 0.00 175.55 173.59 1x5h s ASN 91 N -1.28 5.02 0.06 2.29 -0.87 -1.03 -1.04 114.94 118.09 1x5h s ASN 91 Ca -0.07 -0.00 0.04 0.00 -1.57 0.00 0.00 52.86 51.26 1x5h s ASN 91 Cb -0.08 -1.62 -0.03 0.00 -0.02 0.00 0.00 41.25 39.49 1x5h s ASN 91 CO 0.00 0.26 -0.12 -0.36 -2.57 0.00 0.00 177.10 174.31 1x5h s PHE 92 N -0.20 1.06 -0.20 2.20 0.40 -0.91 -2.01 117.98 118.33 1x5h s PHE 92 Ca 0.04 -0.46 -0.13 0.00 -0.60 0.00 0.00 56.93 55.78 1x5h s PHE 92 Cb -0.13 -0.61 0.06 0.00 0.51 0.00 0.00 43.02 42.86 1x5h s PHE 92 CO 0.02 0.02 0.50 -0.98 0.70 0.00 0.00 175.22 175.48 1x5h s ARG 93 N -1.66 0.51 0.05 0.44 1.70 -0.45 -2.58 118.95 116.97 1x5h s ARG 93 Ca -0.04 0.88 0.03 0.00 -0.47 0.00 0.00 55.73 56.12 1x5h s ARG 93 Cb -0.10 0.08 -0.04 0.00 -0.57 0.00 0.00 34.95 34.33 1x5h s ARG 93 CO 0.02 -0.14 0.04 0.08 -1.08 0.00 0.00 175.30 174.22 1x5h s VAL 94 N 1.21 4.34 -0.04 4.99 1.01 -1.26 -1.60 120.40 129.04 1x5h s VAL 94 Ca -0.08 -0.74 -0.07 0.00 0.00 0.00 0.00 61.98 61.10 1x5h s VAL 94 Cb -0.07 -3.04 0.01 0.00 0.00 0.00 0.00 36.38 33.29 1x5h s VAL 94 CO -0.12 0.21 0.17 0.00 0.00 0.00 0.00 175.10 175.36 1x5h s ALA 95 N -1.28 -0.41 0.12 5.51 0.00 -1.08 -0.51 121.76 124.11 1x5h s ALA 95 Ca 0.25 0.30 -0.19 0.00 0.00 0.00 0.00 51.96 52.32 1x5h s ALA 95 Cb -0.12 -0.16 -0.07 0.00 0.00 0.00 0.00 23.12 22.77 1x5h s ALA 95 CO 0.17 -0.12 0.61 0.00 0.00 0.00 0.00 175.76 176.42 1x5h s ALA 96 N -0.38 3.55 -0.08 0.00 0.00 -1.20 0.06 121.76 123.71 1x5h s ALA 96 Ca -0.05 0.06 0.05 0.00 0.00 0.00 0.00 51.96 52.02 1x5h s ALA 96 Cb -0.03 -2.68 -0.01 0.00 0.00 0.00 0.00 23.12 20.41 1x5h s ALA 96 CO 0.01 0.39 -0.24 -0.51 0.00 0.00 0.00 175.76 175.40 1x5h s LEU 97 N -1.40 2.07 0.31 0.00 1.43 0.12 0.21 118.68 121.43 1x5h s LEU 97 Ca 0.33 -0.53 0.03 0.00 -1.03 0.00 0.00 54.13 52.93 1x5h s LEU 97 Cb -0.19 -1.38 -0.04 0.00 0.03 0.00 0.00 46.19 44.61 1x5h s LEU 97 CO 0.20 0.21 0.12 0.42 0.23 0.00 0.00 176.35 177.53 1x5h s THR 98 N 0.06 0.54 0.41 5.49 -4.23 -0.79 -0.90 115.64 116.23 1x5h s THR 98 Ca -0.10 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.56 1x5h s THR 98 Cb -0.16 -2.56 0.36 0.00 1.34 0.00 0.00 72.50 71.48 1x5h s THR 98 CO 0.06 0.00 1.89 -0.29 -0.54 0.00 0.00 174.62 175.74 1x5h h ILE 99 N 2.19 0.76 0.00 2.99 6.09 -1.92 0.34 117.51 127.96 1x5h h ILE 99 Ca -0.36 -0.16 -0.00 0.00 -1.37 0.00 0.00 64.86 62.97 1x5h h ILE 99 Cb 1.25 0.26 -0.00 0.00 0.47 0.00 0.00 36.82 38.80 1x5h h ILE 99 CO 0.57 0.08 -0.02 0.78 -3.07 0.00 0.00 178.15 176.50 1x5h h ASN 100 N 0.46 0.00 0.00 2.19 2.35 -1.94 -3.48 115.58 115.16 1x5h h ASN 100 Ca 0.42 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.17 1x5h h ASN 100 Cb 0.94 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.31 1x5h h ASN 100 CO -0.15 0.02 0.00 0.61 -1.65 0.00 0.00 177.43 176.26 1x5h n GLY 101 N -1.05 0.62 3.83 2.83 0.00 0.12 -4.45 105.19 107.08 1x5h n GLY 101 Ca -0.03 -0.87 -0.31 0.00 0.00 0.00 0.00 46.02 44.81 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 4.90 0.18 2.61 2.01 -1.26 -1.89 115.64 122.19 1x5h s THR 102 Ca 0.00 -0.52 0.02 0.00 0.31 0.00 0.00 61.69 61.50 1x5h s THR 102 Cb 0.00 -3.34 0.02 0.00 0.01 0.00 0.00 72.50 69.19 1x5h s THR 102 CO 0.00 0.20 0.18 0.61 -0.69 0.00 0.00 174.62 174.92 1x5h n GLY 103 N 0.62 2.55 3.73 4.40 0.00 0.13 -4.39 105.19 112.24 1x5h n GLY 103 Ca -0.09 -2.19 -0.30 0.00 0.00 0.00 0.00 46.02 43.44 1x5h n GLY 103 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5h s PRO 104 N -2.76 1.60 0.37 1.61 0.04 -1.26 -4.64 135.00 129.97 1x5h s PRO 104 Ca 0.13 0.95 0.08 0.00 0.04 0.00 0.00 61.00 62.20 1x5h s PRO 104 Cb -0.01 -1.84 -0.05 0.00 0.04 0.00 0.00 34.50 32.65 1x5h s PRO 104 CO 0.09 -2.04 0.15 0.00 0.04 0.00 0.00 177.00 175.24 1x5h s ALA 105 N -2.92 3.52 -0.15 8.56 0.00 -1.26 -3.27 121.76 126.25 1x5h s ALA 105 Ca 0.63 -1.94 -0.13 0.00 0.00 0.00 0.00 51.96 50.52 1x5h s ALA 105 Cb -0.18 -0.60 -0.05 0.00 0.00 0.00 0.00 23.12 22.30 1x5h s ALA 105 CO 0.57 -0.04 0.29 0.95 0.00 0.00 0.00 175.76 177.52 1x5h s THR 106 N -2.49 5.30 0.08 0.00 -4.23 0.33 -4.90 115.64 109.73 1x5h s THR 106 Ca 0.39 0.54 -0.21 0.00 -1.18 0.00 0.00 61.69 61.23 1x5h s THR 106 Cb -0.00 -3.62 -0.12 0.00 1.34 0.00 0.00 72.50 70.10 1x5h s THR 106 CO 0.23 0.42 0.47 -0.90 -0.54 0.00 0.00 174.62 174.30 1x5h n ASP 107 N 3.32 -0.51 -4.53 3.99 5.68 -1.26 -4.47 116.55 118.77 1x5h n ASP 107 Ca -0.13 0.74 -0.42 0.00 -0.50 0.00 0.00 54.79 54.49 1x5h n ASP 107 Cb 0.52 -0.61 -0.05 0.00 -1.14 0.00 0.00 41.12 39.84 1x5h n ASP 107 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1x5h n TRP 108 N 0.37 1.50 -3.59 2.11 7.02 -1.26 -4.83 117.44 118.75 1x5h n TRP 108 Ca 0.12 0.13 -0.38 0.00 -1.02 0.00 0.00 57.50 56.34 1x5h n TRP 108 Cb 0.12 -2.61 -0.11 0.00 -2.42 0.00 0.00 31.31 26.29 1x5h n TRP 108 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 1x5h s LEU 109 N 9.83 4.08 0.25 -0.99 2.96 -1.07 -4.94 118.68 128.80 1x5h s LEU 109 Ca 1.06 -0.10 -0.14 0.00 -0.22 0.00 0.00 54.13 54.73 1x5h s LEU 109 Cb -0.49 -2.11 -0.08 0.00 0.50 0.00 0.00 46.19 44.01 1x5h s LEU 109 CO 0.36 -0.08 0.65 -0.94 -1.32 0.00 0.00 176.35 175.02 1x5h s SER 110 N 1.74 6.79 -0.10 3.68 1.04 -1.26 -2.14 113.70 123.45 1x5h s SER 110 Ca 0.07 1.17 -0.05 0.00 0.48 0.00 0.00 55.95 57.62 1x5h s SER 110 Cb -0.16 -2.32 0.05 0.00 0.10 0.00 0.00 66.02 63.68 1x5h s SER 110 CO 0.10 -0.08 0.24 0.00 0.98 0.00 0.00 173.24 174.48 1x5h s ALA 111 N -1.78 -0.52 -0.34 5.32 0.00 -0.21 -4.96 121.76 119.28 1x5h s ALA 111 Ca 0.48 0.95 -0.13 0.00 0.00 0.00 0.00 51.96 53.26 1x5h s ALA 111 Cb -0.12 -0.67 -0.02 0.00 0.00 0.00 0.00 23.12 22.31 1x5h s ALA 111 CO 0.19 -0.26 0.24 -2.00 0.00 0.00 0.00 175.76 173.93 1x5h s GLU 112 N 1.42 3.49 1.18 0.00 2.12 -1.26 -1.56 118.70 124.08 1x5h s GLU 112 Ca -0.08 -0.65 -0.13 0.00 0.36 0.00 0.00 54.97 54.47 1x5h s GLU 112 Cb -0.11 -3.80 0.29 0.00 0.26 0.00 0.00 34.13 30.77 1x5h s GLU 112 CO -0.08 -0.44 1.03 0.95 -0.54 0.00 0.00 175.26 176.17 1x5h s THR 113 N 1.72 1.96 -0.09 -1.70 -4.23 -1.25 -4.95 115.64 107.10 1x5h s THR 113 Ca 0.06 0.00 -0.28 0.00 -1.18 0.00 0.00 61.69 60.29 1x5h s THR 113 Cb -0.17 -2.11 -0.02 0.00 1.34 0.00 0.00 72.50 71.54 1x5h s THR 113 CO 0.10 0.00 0.94 -0.36 -0.54 0.00 0.00 174.62 174.77 1x5h s PHE 114 N -2.51 3.53 0.45 3.99 0.08 -1.26 -4.18 117.98 118.08 1x5h s PHE 114 Ca 0.68 1.52 0.33 0.00 0.12 0.00 0.00 56.93 59.58 1x5h s PHE 114 Cb -0.24 -3.11 1.47 0.00 -0.57 0.00 0.00 43.02 40.57 1x5h s PHE 114 CO 0.64 -0.16 1.62 0.93 -0.10 0.00 0.00 175.22 178.15 1x5h h GLU 115 N 7.05 0.06 -3.88 0.44 5.08 -1.93 -3.35 114.58 118.06 1x5h h GLU 115 Ca -0.33 -0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 57.83 1x5h h GLU 115 Cb 1.16 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.33 1x5h h GLU 115 CO 0.82 0.04 -0.12 0.45 -1.00 0.00 0.00 179.01 179.20 1x5h s SER 116 N -4.42 0.54 -1.00 1.42 0.15 -1.26 -4.48 113.70 104.65 1x5h s SER 116 Ca -0.07 -1.31 -0.24 0.00 0.70 0.00 0.00 55.95 55.02 1x5h s SER 116 Cb 0.29 0.66 -0.10 0.00 -1.71 0.00 0.00 66.02 65.17 1x5h s SER 116 CO 0.83 -1.30 2.04 1.51 1.20 0.00 0.00 173.24 177.52 1x5h s ASP 117 N -3.16 4.68 -0.69 5.45 1.47 -1.26 -4.82 116.67 118.34 1x5h s ASP 117 Ca 0.27 -0.91 0.04 0.00 1.18 0.00 0.00 52.55 53.12 1x5h s ASP 117 Cb -0.01 -2.57 0.17 0.00 -0.34 0.00 0.00 42.92 40.17 1x5h s ASP 117 CO 0.16 -3.30 0.48 -0.22 0.68 0.00 0.00 175.17 172.98 1x5h s LEU 118 N 12.03 4.84 -0.37 2.11 2.96 -1.26 -5.06 118.68 133.93 1x5h s LEU 118 Ca 0.75 -3.62 -0.29 0.00 -0.22 0.00 0.00 54.13 50.75 1x5h s LEU 118 Cb -0.06 -1.69 0.00 0.00 0.50 0.00 0.00 46.19 44.95 1x5h s LEU 118 CO 0.07 -0.14 1.47 1.51 -1.32 0.00 0.00 176.35 177.94 1x5h s ASP 119 N -0.94 6.32 0.75 3.68 1.47 -1.26 -5.00 116.67 121.68 1x5h s ASP 119 Ca 0.23 1.00 -0.08 0.00 1.18 0.00 0.00 52.55 54.89 1x5h s ASP 119 Cb -0.10 -2.54 0.09 0.00 -0.34 0.00 0.00 42.92 40.03 1x5h s ASP 119 CO -0.12 -1.41 1.06 -1.83 0.68 0.00 0.00 175.17 173.55 1x5h s GLU 120 N 4.91 1.93 -0.06 2.11 -1.05 -1.26 -5.11 118.70 120.18 1x5h s GLU 120 Ca 0.64 -0.34 -0.02 0.00 -0.15 0.00 0.00 54.97 55.10 1x5h s GLU 120 Cb -0.16 -2.13 0.04 0.00 -0.44 0.00 0.00 34.13 31.44 1x5h s GLU 120 CO 0.31 -1.43 0.13 -0.08 0.95 0.00 0.00 175.26 175.14 1x5h s THR 121 N -3.34 -0.05 -0.01 1.83 -1.32 -1.26 -5.15 115.64 106.34 1x5h s THR 121 Ca 0.63 0.18 -0.24 0.00 -1.21 0.00 0.00 61.69 61.05 1x5h s THR 121 Cb -0.09 -0.22 0.05 0.00 -1.51 0.00 0.00 72.50 70.73 1x5h s THR 121 CO 0.46 0.07 0.53 -0.13 -2.21 0.00 0.00 174.62 173.34 1x5h s ARG 122 N 1.14 0.95 -0.06 7.08 0.52 -1.26 -5.16 118.95 122.16 1x5h s ARG 122 Ca -0.09 -0.03 0.00 0.00 -0.52 0.00 0.00 55.73 55.10 1x5h s ARG 122 Cb -0.12 0.44 0.02 0.00 0.52 0.00 0.00 34.95 35.81 1x5h s ARG 122 CO -0.05 -0.31 -0.04 0.54 0.02 0.00 0.00 175.30 175.46 1x5h s VAL 123 N -1.66 0.58 0.43 3.52 0.11 -1.26 -5.14 120.40 116.98 1x5h s VAL 123 Ca -0.10 -0.10 -0.24 0.00 -2.93 0.00 0.00 61.98 58.61 1x5h s VAL 123 Cb -0.02 -0.62 -0.08 0.00 -1.53 0.00 0.00 36.38 34.13 1x5h s VAL 123 CO 0.04 0.25 1.18 -2.16 -3.33 0.00 0.00 175.10 171.09 1x5h s PRO 124 N 1.21 3.90 -0.22 1.54 0.04 -1.26 -5.03 135.00 135.19 1x5h s PRO 124 Ca -0.06 1.83 -0.09 0.00 0.04 0.00 0.00 61.00 62.72 1x5h s PRO 124 Cb -0.14 -2.55 -0.04 0.00 0.04 0.00 0.00 34.50 31.81 1x5h s PRO 124 CO -0.02 -0.45 0.11 -1.21 0.04 0.00 0.00 177.00 175.48 1x5h s GLU 125 N -2.49 3.97 0.05 4.56 2.02 -1.26 -5.09 118.70 120.46 1x5h s GLU 125 Ca 0.60 -0.33 0.02 0.00 0.02 0.00 0.00 54.97 55.28 1x5h s GLU 125 Cb -0.30 -3.40 -0.03 0.00 0.10 0.00 0.00 34.13 30.50 1x5h s GLU 125 CO 0.37 0.09 -0.07 0.54 0.02 0.00 0.00 175.26 176.22 1x5h s VAL 126 N 0.92 0.49 0.18 2.63 0.11 -1.26 -5.17 120.40 118.31 1x5h s VAL 126 Ca 0.06 -1.26 -0.12 0.00 -2.93 0.00 0.00 61.98 57.72 1x5h s VAL 126 Cb -0.13 -0.82 0.00 0.00 -1.53 0.00 0.00 36.38 33.90 1x5h s VAL 126 CO 0.03 -0.53 0.39 -0.44 -3.33 0.00 0.00 175.10 171.22 1x5h s SER 127 N -1.92 -0.08 -0.20 3.54 0.01 -1.26 -5.18 113.70 108.61 1x5h s SER 127 Ca -0.06 -0.74 -0.28 0.00 1.31 0.00 0.00 55.95 56.18 1x5h s SER 127 Cb -0.06 0.50 0.13 0.00 0.21 0.00 0.00 66.02 66.80 1x5h s SER 127 CO -0.01 -0.98 1.01 -0.83 0.41 0.00 0.00 173.24 172.84 1x5h s GLY 128 N -2.94 -0.22 1.02 3.44 0.00 -1.26 -5.17 107.32 102.18 1x5h s GLY 128 Ca 0.15 2.26 -0.13 0.00 0.00 0.00 0.00 44.72 47.01 1x5h s GLY 128 CO 0.00 1.32 1.09 2.56 0.00 0.00 0.00 173.10 178.07 1x5h s PRO 129 N -0.64 0.25 0.26 2.90 0.04 -1.26 -5.08 135.00 131.48 1x5h s PRO 129 Ca -0.00 0.46 0.08 0.00 0.04 0.00 0.00 61.00 61.58 1x5h s PRO 129 Cb -0.02 -1.72 -0.05 0.00 0.04 0.00 0.00 34.50 32.74 1x5h s PRO 129 CO -0.01 -2.84 -0.12 -1.54 0.04 0.00 0.00 177.00 172.53 1x5h s SER 130 N -3.48 2.99 0.03 6.66 1.04 -1.26 -5.16 113.70 114.52 1x5h s SER 130 Ca 0.66 -1.11 -0.21 0.00 0.48 0.00 0.00 55.95 55.77 1x5h s SER 130 Cb -0.18 -0.21 0.05 0.00 0.10 0.00 0.00 66.02 65.77 1x5h s SER 130 CO 0.58 -0.20 0.48 -0.55 0.98 0.00 0.00 173.24 174.53 1x5h s SER 131 N -3.44 -0.39 0.00 7.02 0.15 -1.26 -5.39 113.70 110.40 1x5h s SER 131 Ca 0.28 0.17 0.00 0.00 0.70 0.00 0.00 55.95 57.10 1x5h s SER 131 Cb 0.00 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.77 1x5h s SER 131 CO 0.12 -0.66 0.00 0.61 1.20 0.00 0.00 173.24 174.51