#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e9h s SER 2 N 0.00 0.25 0.10 1.61 0.01 -1.26 -5.18 113.70 109.24 2e9h s SER 2 Ca 0.00 -1.24 0.09 0.00 1.31 0.00 0.00 55.95 56.10 2e9h s SER 2 Cb 0.00 0.51 -0.04 0.00 0.21 0.00 0.00 66.02 66.71 2e9h s SER 2 CO 0.00 -1.04 -0.23 -0.94 0.41 0.00 0.00 173.24 171.44 2e9h s SER 3 N -3.13 2.74 0.00 2.44 1.04 -1.26 -4.99 113.70 110.54 2e9h s SER 3 Ca 0.31 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 56.06 2e9h s SER 3 Cb 0.03 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 65.98 2e9h s SER 3 CO 0.13 0.10 0.00 0.61 0.98 0.00 0.00 173.24 175.06 2e9h n GLY 4 N 1.12 -0.25 3.51 7.32 0.00 -1.26 -5.04 105.19 110.59 2e9h n GLY 4 Ca -0.19 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 44.69 2e9h n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2e9h s SER 5 N -0.00 6.32 -0.19 1.61 0.15 -1.26 -5.00 113.70 115.33 2e9h s SER 5 Ca 0.00 -0.44 -0.10 0.00 0.70 0.00 0.00 55.95 56.12 2e9h s SER 5 Cb 0.00 -2.36 0.07 0.00 -1.71 0.00 0.00 66.02 62.02 2e9h s SER 5 CO 0.00 -0.97 0.45 -0.94 1.20 0.00 0.00 173.24 172.98 2e9h s SER 6 N 2.45 -0.54 0.00 5.45 1.04 -1.26 -5.12 113.70 115.73 2e9h s SER 6 Ca 0.25 0.99 0.00 0.00 0.48 0.00 0.00 55.95 57.67 2e9h s SER 6 Cb -0.14 0.95 0.00 0.00 0.10 0.00 0.00 66.02 66.93 2e9h s SER 6 CO 0.18 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.81 2e9h n GLY 7 N 4.46 2.48 3.42 7.32 0.00 -1.26 -5.04 105.19 116.56 2e9h n GLY 7 Ca -0.21 -0.36 -0.48 0.00 0.00 0.00 0.00 46.02 44.97 2e9h n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2e9h n MET 8 N 0.00 0.46 -3.53 1.61 2.00 -1.26 -4.85 117.12 111.55 2e9h n MET 8 Ca 0.00 0.09 -0.12 0.00 0.00 0.00 0.00 57.70 57.67 2e9h n MET 8 Cb 0.00 -2.04 -0.04 0.00 0.00 0.00 0.00 33.22 31.13 2e9h n MET 8 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 2e9h s SER 9 N 8.12 -0.46 0.33 7.83 1.04 -1.26 -4.70 113.70 124.60 2e9h s SER 9 Ca 1.19 0.34 0.00 0.00 0.48 0.00 0.00 55.95 57.96 2e9h s SER 9 Cb -1.06 0.41 -0.00 0.00 0.10 0.00 0.00 66.02 65.47 2e9h s SER 9 CO 0.50 -0.54 0.01 1.33 0.98 0.00 0.00 173.24 175.52 2e9h n VAL 10 N 0.41 0.00 -1.90 5.02 0.24 -0.50 -4.94 118.33 116.66 2e9h n VAL 10 Ca -0.13 -1.56 -0.33 0.00 -2.04 0.00 0.00 64.34 60.28 2e9h n VAL 10 Cb 0.59 0.33 0.03 0.00 -1.47 0.00 0.00 33.84 33.32 2e9h n VAL 10 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 2e9h s ASN 11 N -2.81 5.42 0.37 -1.34 -0.87 -1.26 -2.00 114.94 112.45 2e9h s ASN 11 Ca 0.01 1.92 0.19 0.00 -1.57 0.00 0.00 52.86 53.41 2e9h s ASN 11 Cb 0.00 -2.54 0.66 0.00 -0.02 0.00 0.00 41.25 39.35 2e9h s ASN 11 CO 0.01 -1.42 1.72 0.58 -2.57 0.00 0.00 177.10 175.42 2e9h h VAL 12 N 0.24 0.85 0.00 1.60 2.07 -1.90 -3.19 116.25 115.92 2e9h h VAL 12 Ca -0.47 -1.53 0.00 0.00 0.82 0.00 0.00 66.70 65.52 2e9h h VAL 12 Cb 1.24 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.95 2e9h h VAL 12 CO 0.56 0.36 -1.65 0.59 0.02 0.00 0.00 177.57 177.45 2e9h n ASN 13 N -3.50 1.32 -2.12 0.57 3.02 -1.26 -4.99 115.26 108.31 2e9h n ASN 13 Ca -0.00 -0.07 -0.20 0.00 -0.03 0.00 0.00 54.58 54.28 2e9h n ASN 13 Cb 0.52 1.67 -0.04 0.00 -0.61 0.00 0.00 39.78 41.32 2e9h n ASN 13 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2e9h n ARG 14 N -2.00 -1.64 0.00 3.52 5.12 -1.21 -4.77 116.66 115.69 2e9h n ARG 14 Ca -0.02 1.04 0.00 0.00 -1.93 0.00 0.00 57.85 56.94 2e9h n ARG 14 Cb 0.40 -5.60 0.00 0.00 -1.16 0.00 0.00 32.46 26.10 2e9h n ARG 14 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2e9h n SER 15 N -1.74 3.58 -4.73 0.55 7.64 -1.26 -5.04 113.62 112.62 2e9h n SER 15 Ca -0.22 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.25 2e9h n SER 15 Cb 0.67 0.42 -0.04 0.00 -1.01 0.00 0.00 64.21 64.24 2e9h n SER 15 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2e9h s VAL 16 N -1.67 4.57 -0.65 0.44 0.11 -1.26 -4.97 120.40 116.97 2e9h s VAL 16 Ca 0.00 1.99 0.00 0.00 -2.93 0.00 0.00 61.98 61.04 2e9h s VAL 16 Cb 0.00 -4.28 0.41 0.00 -1.53 0.00 0.00 36.38 30.97 2e9h s VAL 16 CO 0.00 0.31 1.76 -1.20 -3.33 0.00 0.00 175.10 172.64 2e9h n SER 17 N 2.87 6.74 -4.50 3.54 7.64 -1.26 -4.93 113.62 123.72 2e9h n SER 17 Ca 0.02 -3.79 -0.29 0.00 1.01 0.00 0.00 58.87 55.82 2e9h n SER 17 Cb 0.49 -0.84 -0.08 0.00 -1.01 0.00 0.00 64.21 62.77 2e9h n SER 17 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2e9h s ASP 18 N -2.07 3.49 0.00 6.43 1.01 -1.26 -5.06 116.67 119.22 2e9h s ASP 18 Ca 0.55 -1.60 0.02 0.00 0.71 0.00 0.00 52.55 52.23 2e9h s ASP 18 Cb 0.45 0.36 0.04 0.00 1.01 0.00 0.00 42.92 44.78 2e9h s ASP 18 CO -0.20 -0.81 0.84 0.00 0.21 0.00 0.00 175.17 175.21 2e9h n GLN 19 N -1.06 1.39 0.05 8.23 10.64 -1.26 -4.60 117.38 130.77 2e9h n GLN 19 Ca -0.12 -1.19 -0.07 0.00 -1.83 0.00 0.00 57.00 53.80 2e9h n GLN 19 Cb 0.66 -1.05 -0.11 0.00 -0.86 0.00 0.00 30.24 28.88 2e9h n GLN 19 CO 0.00 0.00 0.00 0.74 -1.83 0.00 0.00 177.06 175.97 2e9h h PHE 20 N 0.41 0.00 -0.22 2.61 -1.00 -2.01 -3.44 116.94 113.29 2e9h h PHE 20 Ca 0.00 0.00 -0.26 0.00 2.81 0.00 0.00 57.97 60.52 2e9h h PHE 20 Cb 0.35 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 39.84 2e9h h PHE 20 CO 0.03 0.96 1.29 0.98 -1.61 0.00 0.00 178.31 179.96 2e9h n TYR 21 N -3.29 0.55 0.05 -0.55 4.19 -1.26 -4.78 117.16 112.06 2e9h n TYR 21 Ca -0.02 0.04 -0.05 0.00 3.31 0.00 0.00 57.90 61.17 2e9h n TYR 21 Cb 0.94 -1.55 -0.03 0.00 0.49 0.00 0.00 39.34 39.19 2e9h n TYR 21 CO 0.00 0.00 0.00 -0.09 0.91 0.00 0.00 176.86 177.68 2e9h h ARG 22 N 12.25 -0.25 -6.58 2.98 1.12 -1.99 -3.41 114.38 118.50 2e9h h ARG 22 Ca -0.00 0.02 -0.57 0.00 -1.11 0.00 0.00 59.98 58.32 2e9h h ARG 22 Cb 1.11 0.06 0.07 0.00 -0.01 0.00 0.00 29.97 31.19 2e9h h ARG 22 CO 1.36 -0.16 0.81 0.66 -3.11 0.00 0.00 179.97 179.53 2e9h n TYR 23 N -3.38 2.40 -4.27 2.20 4.01 -1.26 -4.99 117.16 111.87 2e9h n TYR 23 Ca -0.03 0.26 -0.15 0.00 -0.16 0.00 0.00 57.90 57.82 2e9h n TYR 23 Cb 0.13 -2.56 -0.10 0.00 -0.31 0.00 0.00 39.34 36.51 2e9h n TYR 23 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 2e9h s LYS 24 N 0.54 1.29 -0.11 -0.72 -0.14 -1.26 -4.25 119.74 115.09 2e9h s LYS 24 Ca 0.74 -1.68 -0.09 0.00 -1.36 0.00 0.00 55.97 53.59 2e9h s LYS 24 Cb -0.62 -0.11 0.03 0.00 -1.68 0.00 0.00 37.83 35.46 2e9h s LYS 24 CO 0.40 -0.29 0.28 0.00 -0.76 0.00 0.00 175.35 174.98 2e9h s MET 25 N -4.05 0.30 0.75 1.68 0.23 -0.85 -4.87 119.30 112.49 2e9h s MET 25 Ca 0.35 0.46 -0.11 0.00 -1.03 0.00 0.00 55.69 55.36 2e9h s MET 25 Cb 0.07 0.07 0.05 0.00 -1.53 0.00 0.00 34.83 33.49 2e9h s MET 25 CO 0.11 -0.08 1.09 -1.25 -2.03 0.00 0.00 175.02 172.86 2e9h s PRO 26 N 0.54 2.36 -0.38 3.16 0.04 -1.26 -1.41 135.00 138.06 2e9h s PRO 26 Ca -0.03 1.21 -0.27 0.00 0.04 0.00 0.00 61.00 61.95 2e9h s PRO 26 Cb -0.05 -1.91 0.02 0.00 0.04 0.00 0.00 34.50 32.60 2e9h s PRO 26 CO -0.03 -1.57 0.99 1.03 0.04 0.00 0.00 177.00 177.46 2e9h s ARG 27 N -4.75 3.86 0.43 4.56 3.00 -1.26 -4.85 118.95 119.95 2e9h s ARG 27 Ca 0.62 0.67 -0.24 0.00 0.00 0.00 0.00 55.73 56.78 2e9h s ARG 27 Cb -0.18 -3.81 -0.10 0.00 0.00 0.00 0.00 34.95 30.87 2e9h s ARG 27 CO 0.53 -1.00 1.06 1.47 0.00 0.00 0.00 175.30 177.36 2e9h n LEU 28 N 6.95 2.96 -4.81 2.53 -0.00 -1.26 -5.00 117.00 118.37 2e9h n LEU 28 Ca 0.09 1.03 -0.25 0.00 -0.00 0.00 0.00 56.01 56.89 2e9h n LEU 28 Cb 0.48 -1.38 -0.05 0.00 -0.00 0.00 0.00 43.42 42.47 2e9h n LEU 28 CO 0.60 -1.34 -0.20 -0.63 -0.00 0.00 0.00 177.39 175.83 2e9h s ILE 29 N -1.27 4.50 -0.02 1.47 1.01 -1.26 -4.92 121.20 120.70 2e9h s ILE 29 Ca 0.64 -1.18 -0.00 0.00 0.00 0.00 0.00 60.65 60.10 2e9h s ILE 29 Cb -0.54 -3.35 0.03 0.00 0.01 0.00 0.00 42.46 38.61 2e9h s ILE 29 CO 0.56 -0.19 0.04 0.00 0.00 0.00 0.00 174.94 175.35 2e9h s ALA 30 N -1.88 0.07 -0.12 9.38 0.00 -1.26 -3.25 121.76 124.69 2e9h s ALA 30 Ca 0.32 0.32 -0.04 0.00 0.00 0.00 0.00 51.96 52.56 2e9h s ALA 30 Cb -0.09 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.70 2e9h s ALA 30 CO 0.24 -0.14 0.03 0.21 0.00 0.00 0.00 175.76 176.10 2e9h s LYS 31 N 1.17 3.38 -0.01 0.00 2.20 0.62 -4.84 119.74 122.24 2e9h s LYS 31 Ca -0.08 -0.37 0.01 0.00 -0.36 0.00 0.00 55.97 55.16 2e9h s LYS 31 Cb -0.13 -2.96 0.01 0.00 -1.51 0.00 0.00 37.83 33.24 2e9h s LYS 31 CO -0.03 0.54 -0.02 0.08 -0.36 0.00 0.00 175.35 175.56 2e9h s VAL 32 N -0.42 0.25 -0.01 4.02 1.01 -1.25 -0.63 120.40 123.37 2e9h s VAL 32 Ca 0.09 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.02 2e9h s VAL 32 Cb -0.12 -0.26 -0.00 0.00 0.00 0.00 0.00 36.38 36.00 2e9h s VAL 32 CO 0.02 0.11 -0.03 -1.83 0.00 0.00 0.00 175.10 173.37 2e9h s GLU 33 N 0.38 0.31 0.27 2.72 -1.05 -1.26 -5.00 118.70 115.07 2e9h s GLU 33 Ca -0.04 -0.11 0.00 0.00 -0.15 0.00 0.00 54.97 54.67 2e9h s GLU 33 Cb -0.07 -0.31 0.00 0.00 -0.44 0.00 0.00 34.13 33.31 2e9h s GLU 33 CO -0.01 0.06 0.00 0.41 0.95 0.00 0.00 175.26 176.67 2e9h n GLY 34 N 3.09 -3.12 2.89 -3.83 0.00 -1.26 -3.82 105.19 99.15 2e9h n GLY 34 Ca -0.14 -1.21 -0.30 0.00 0.00 0.00 0.00 46.02 44.37 2e9h n GLY 34 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2e9h s LYS 35 N -3.99 1.32 0.00 1.61 2.36 -1.26 -4.21 119.74 115.56 2e9h s LYS 35 Ca 0.00 -1.13 0.00 0.00 -2.55 0.00 0.00 55.97 52.29 2e9h s LYS 35 Cb 0.00 -2.53 0.00 0.00 -1.05 0.00 0.00 37.83 34.25 2e9h s LYS 35 CO 0.00 -0.75 0.00 0.41 1.55 0.00 0.00 175.35 176.56 2e9h n GLY 36 N 4.66 2.85 2.08 5.54 0.00 -1.26 -4.79 105.19 114.27 2e9h n GLY 36 Ca -0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 2e9h n GLY 36 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2e9h n ASN 37 N 0.26 6.12 0.00 1.61 4.13 -1.26 -4.64 115.26 121.47 2e9h n ASN 37 Ca 0.00 -3.40 0.00 0.00 1.68 0.00 0.00 54.58 52.86 2e9h n ASN 37 Cb 0.00 -0.94 0.00 0.00 -1.54 0.00 0.00 39.78 37.30 2e9h n ASN 37 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2e9h n GLY 38 N -0.48 1.69 3.76 7.41 0.00 -1.26 -4.98 105.19 111.33 2e9h n GLY 38 Ca 0.48 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.09 2e9h n GLY 38 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2e9h s ILE 39 N -2.00 3.25 0.19 -0.61 2.07 -1.25 -4.84 121.20 118.01 2e9h s ILE 39 Ca 0.00 1.20 -0.10 0.00 -1.41 0.00 0.00 60.65 60.34 2e9h s ILE 39 Cb 0.00 -3.76 -0.01 0.00 0.13 0.00 0.00 42.46 38.82 2e9h s ILE 39 CO 0.00 0.26 0.34 -1.59 -1.91 0.00 0.00 174.94 172.04 2e9h s LYS 40 N -1.25 1.29 -0.36 3.50 -2.85 -1.26 -3.83 119.74 114.98 2e9h s LYS 40 Ca 0.48 -1.22 0.03 0.00 -1.00 0.00 0.00 55.97 54.27 2e9h s LYS 40 Cb -0.35 0.40 0.10 0.00 -2.06 0.00 0.00 37.83 35.93 2e9h s LYS 40 CO 0.44 -0.49 0.09 0.99 0.10 0.00 0.00 175.35 176.47 2e9h s THR 41 N -3.99 2.17 -0.26 3.79 2.01 -0.86 -3.92 115.64 114.58 2e9h s THR 41 Ca 0.20 -2.39 -0.22 0.00 0.31 0.00 0.00 61.69 59.58 2e9h s THR 41 Cb 0.02 -2.59 -0.01 0.00 0.01 0.00 0.00 72.50 69.93 2e9h s THR 41 CO 0.04 -0.64 0.73 -0.69 -0.69 0.00 0.00 174.62 173.36 2e9h s VAL 42 N 0.80 4.90 -1.35 3.82 1.01 0.20 -2.23 120.40 127.55 2e9h s VAL 42 Ca 0.12 1.31 -0.14 0.00 0.00 0.00 0.00 61.98 63.27 2e9h s VAL 42 Cb -0.20 -4.03 0.09 0.00 0.00 0.00 0.00 36.38 32.24 2e9h s VAL 42 CO -0.08 -0.05 1.94 -0.38 0.00 0.00 0.00 175.10 176.53 2e9h n ILE 43 N 5.26 3.87 -0.15 2.22 5.41 -1.08 -0.28 119.36 134.62 2e9h n ILE 43 Ca 0.02 -3.79 -0.12 0.00 1.00 0.00 0.00 62.75 59.87 2e9h n ILE 43 Cb 0.48 -2.47 -0.09 0.00 -0.71 0.00 0.00 39.64 36.85 2e9h n ILE 43 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 2e9h h VAL 44 N 4.36 0.00 0.00 1.39 2.07 -1.82 -0.16 116.25 122.09 2e9h h VAL 44 Ca 0.47 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.88 2e9h h VAL 44 Cb 0.71 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 2e9h h VAL 44 CO 1.66 0.00 -0.16 -3.20 0.02 0.00 0.00 177.57 175.89 2e9h n ASN 45 N -4.97 4.34 -0.07 0.57 5.15 -1.26 -4.21 115.26 114.80 2e9h n ASN 45 Ca -0.02 -2.26 -0.12 0.00 -0.60 0.00 0.00 54.58 51.57 2e9h n ASN 45 Cb 0.28 -1.09 -0.09 0.00 -0.53 0.00 0.00 39.78 38.35 2e9h n ASN 45 CO 0.00 0.00 0.00 -0.03 1.40 0.00 0.00 177.26 178.63 2e9h h MET 46 N 2.92 0.00 -0.63 1.20 1.85 -1.32 -3.24 114.93 115.70 2e9h h MET 46 Ca 0.11 0.00 -0.09 0.00 -0.61 0.00 0.00 59.70 59.11 2e9h h MET 46 Cb 1.12 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 33.12 2e9h h MET 46 CO 0.19 0.70 0.04 0.28 -0.40 0.00 0.00 176.91 177.72 2e9h h VAL 47 N -1.00 1.27 0.20 -5.77 2.07 -1.82 -2.69 116.25 108.51 2e9h h VAL 47 Ca -0.09 -1.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.31 2e9h h VAL 47 Cb 0.83 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 2e9h h VAL 47 CO -0.05 0.41 -0.22 0.44 0.02 0.00 0.00 177.57 178.17 2e9h h ASP 48 N 1.01 -0.62 -0.72 0.57 5.19 -1.85 0.63 116.42 120.62 2e9h h ASP 48 Ca 0.18 0.05 0.16 0.00 -0.62 0.00 0.00 57.03 56.81 2e9h h ASP 48 Cb 0.52 0.21 -0.12 0.00 0.18 0.00 0.00 39.33 40.13 2e9h h ASP 48 CO 0.03 -0.29 0.08 -0.37 -3.12 0.00 0.00 179.24 175.57 2e9h h VAL 49 N -0.43 0.45 0.42 -1.35 -1.51 -1.61 -2.31 116.25 109.91 2e9h h VAL 49 Ca -0.03 -0.06 -0.01 0.00 -1.23 0.00 0.00 66.70 65.37 2e9h h VAL 49 Cb 0.38 0.25 -0.01 0.00 -2.13 0.00 0.00 31.29 29.78 2e9h h VAL 49 CO -0.04 0.03 -0.36 0.00 -1.23 0.00 0.00 177.57 175.98 2e9h h ALA 50 N 1.64 -1.08 -0.97 5.19 0.00 -1.22 -2.40 119.26 120.42 2e9h h ALA 50 Ca 0.40 -0.15 0.38 0.00 0.00 0.00 0.00 54.91 55.54 2e9h h ALA 50 Cb 0.69 0.56 -0.18 0.00 0.00 0.00 0.00 17.79 18.86 2e9h h ALA 50 CO -0.57 -1.08 0.41 1.63 0.00 0.00 0.00 179.25 179.64 2e9h n LYS 51 N -4.57 -0.06 -0.32 0.00 5.02 0.19 0.18 118.16 118.59 2e9h n LYS 51 Ca -0.09 1.36 0.00 0.00 -2.02 0.00 0.00 58.31 57.57 2e9h n LYS 51 Cb 0.34 -2.38 0.14 0.00 -0.02 0.00 0.00 35.03 33.10 2e9h n LYS 51 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2e9h h ALA 52 N 1.94 1.21 -0.14 7.82 0.00 -1.00 0.73 119.26 129.82 2e9h h ALA 52 Ca 0.77 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.66 2e9h h ALA 52 Cb 1.97 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.49 2e9h h ALA 52 CO -0.78 0.34 0.00 1.28 0.00 0.00 0.00 179.25 180.09 2e9h n LEU 53 N -4.58 0.82 -2.06 0.00 4.77 0.47 -4.86 117.00 111.57 2e9h n LEU 53 Ca 0.12 -0.41 -0.18 0.00 -0.03 0.00 0.00 56.01 55.52 2e9h n LEU 53 Cb 0.15 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 2e9h n LEU 53 CO 0.32 0.20 -0.20 0.59 -1.33 0.00 0.00 177.39 176.96 2e9h n ASN 54 N -0.08 -4.99 -4.15 -1.43 3.02 0.25 -4.95 115.26 102.93 2e9h n ASN 54 Ca 0.05 0.21 -0.16 0.00 -0.03 0.00 0.00 54.58 54.64 2e9h n ASN 54 Cb 0.14 -4.29 -0.12 0.00 -0.61 0.00 0.00 39.78 34.90 2e9h n ASN 54 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2e9h s ARG 55 N -4.44 0.76 0.48 3.52 0.52 -1.15 -5.00 118.95 113.64 2e9h s ARG 55 Ca 0.00 -0.95 -0.22 0.00 -0.52 0.00 0.00 55.73 54.04 2e9h s ARG 55 Cb 0.00 -0.65 -0.07 0.00 0.52 0.00 0.00 34.95 34.75 2e9h s ARG 55 CO 0.00 0.13 1.15 -1.25 0.02 0.00 0.00 175.30 175.36 2e9h s PRO 56 N -1.90 3.65 0.00 3.54 0.04 -1.26 -3.39 135.00 135.68 2e9h s PRO 56 Ca -0.02 1.73 0.15 0.00 0.04 0.00 0.00 61.00 62.89 2e9h s PRO 56 Cb -0.09 -2.30 0.76 0.00 0.04 0.00 0.00 34.50 32.92 2e9h s PRO 56 CO 0.01 -0.63 1.41 -0.35 0.04 0.00 0.00 177.00 177.48 2e9h n PRO 57 N -0.71 0.23 0.10 0.56 -0.04 -1.26 -2.71 135.00 131.18 2e9h n PRO 57 Ca 0.08 0.14 -0.04 0.00 -0.04 0.00 0.00 63.50 63.64 2e9h n PRO 57 Cb 0.49 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.59 2e9h n PRO 57 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2e9h h THR 58 N 0.00 1.41 0.38 0.52 1.35 -1.96 -0.31 112.91 114.31 2e9h h THR 58 Ca 0.00 -2.04 -0.02 0.00 -0.55 0.00 0.00 66.41 63.80 2e9h h THR 58 Cb 0.13 2.06 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 2e9h h THR 58 CO 0.00 0.60 -0.18 1.88 -0.25 0.00 0.00 175.52 177.56 2e9h h TYR 59 N 0.11 -0.47 0.01 4.73 0.05 -1.91 -3.00 116.97 116.48 2e9h h TYR 59 Ca -0.01 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.76 2e9h h TYR 59 Cb 1.11 0.16 0.00 0.00 1.01 0.00 0.00 36.73 39.01 2e9h h TYR 59 CO 0.01 -0.15 -0.00 -1.00 -1.05 0.00 0.00 178.16 175.97 2e9h h PRO 60 N -0.81 -0.01 -0.85 4.88 0.13 -1.74 -2.97 132.00 130.63 2e9h h PRO 60 Ca -0.05 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 65.25 2e9h h PRO 60 Cb 0.53 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 31.50 2e9h h PRO 60 CO 0.09 0.47 -0.22 1.15 -0.23 0.00 0.00 178.00 179.25 2e9h h THR 61 N -0.50 0.14 -0.37 1.56 2.02 -1.16 0.71 112.91 115.32 2e9h h THR 61 Ca -0.00 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 2e9h h THR 61 Cb 0.49 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 2e9h h THR 61 CO 0.00 0.00 -0.05 0.50 0.37 0.00 0.00 175.52 176.34 2e9h h LYS 62 N -0.00 0.60 -0.75 6.66 1.63 -1.58 -2.81 116.57 120.32 2e9h h LYS 62 Ca 0.40 -0.16 0.03 0.00 -0.85 0.00 0.00 60.65 60.08 2e9h h LYS 62 Cb 0.62 -0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 32.13 2e9h h LYS 62 CO -0.88 0.66 0.48 -0.92 -3.45 0.00 0.00 179.45 175.34 2e9h h TYR 63 N 0.57 0.90 -0.75 1.91 3.20 0.56 -1.39 116.97 121.96 2e9h h TYR 63 Ca 0.11 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.02 2e9h h TYR 63 Cb 0.43 -0.30 -0.04 0.00 1.54 0.00 0.00 36.73 38.37 2e9h h TYR 63 CO 0.02 0.52 0.49 0.74 -1.64 0.00 0.00 178.16 178.29 2e9h h PHE 64 N 0.93 0.93 0.01 -3.82 0.04 -0.98 -2.29 116.94 111.76 2e9h h PHE 64 Ca 0.30 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 61.09 2e9h h PHE 64 Cb 0.01 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 37.84 2e9h h PHE 64 CO -0.03 0.58 -0.01 0.78 -0.60 0.00 0.00 178.31 179.03 2e9h h GLY 65 N 1.00 -0.02 -0.91 -1.45 0.00 -1.35 -1.07 103.07 99.27 2e9h h GLY 65 Ca 0.28 0.01 0.37 0.00 0.00 0.00 0.00 47.33 47.98 2e9h h GLY 65 CO -0.07 -0.01 0.44 0.00 0.00 0.00 0.00 176.54 176.90 2e9h h GLU 67 N 0.00 0.58 0.00 0.00 4.39 -1.44 -3.00 114.58 115.10 2e9h h GLU 67 Ca 0.75 -0.33 0.00 0.00 0.34 0.00 0.00 59.36 60.12 2e9h h GLU 67 Cb 1.94 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.62 2e9h h GLU 67 CO -0.72 0.93 0.00 -0.07 -1.16 0.00 0.00 179.01 177.99 2e9h h LEU 68 N 0.27 0.00 0.82 1.33 3.38 0.29 -3.47 115.31 117.93 2e9h h LEU 68 Ca 0.03 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.84 2e9h h LEU 68 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 2e9h h LEU 68 CO 0.07 0.00 -0.22 0.61 0.09 0.00 0.00 178.44 178.99 2e9h n GLY 69 N 0.74 0.09 1.73 0.83 0.00 0.36 -5.03 105.19 103.91 2e9h n GLY 69 Ca 0.04 -0.51 -0.14 0.00 0.00 0.00 0.00 46.02 45.40 2e9h n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2e9h n ALA 70 N -1.73 0.25 -2.59 4.61 0.00 -1.19 -5.02 120.51 114.85 2e9h n ALA 70 Ca -0.08 -1.08 -0.21 0.00 0.00 0.00 0.00 53.44 52.08 2e9h n ALA 70 Cb 0.57 0.66 -0.01 0.00 0.00 0.00 0.00 19.45 20.67 2e9h n ALA 70 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2e9h s GLN 71 N -2.84 3.22 0.11 0.00 -0.21 -1.26 -4.46 119.66 114.22 2e9h s GLN 71 Ca 0.06 -0.80 -0.00 0.00 0.02 0.00 0.00 55.36 54.63 2e9h s GLN 71 Cb 0.00 -2.78 -0.04 0.00 1.00 0.00 0.00 33.01 31.19 2e9h s GLN 71 CO 0.04 0.11 0.01 0.95 -2.12 0.00 0.00 175.29 174.28 2e9h s THR 72 N -2.20 0.26 -0.09 -0.19 -4.23 -1.26 -1.58 115.64 106.34 2e9h s THR 72 Ca 0.42 -1.89 0.04 0.00 -1.18 0.00 0.00 61.69 59.08 2e9h s THR 72 Cb -0.09 -1.87 -0.00 0.00 1.34 0.00 0.00 72.50 71.88 2e9h s THR 72 CO 0.32 -0.66 -0.23 -1.58 -0.54 0.00 0.00 174.62 171.93 2e9h s GLN 73 N -3.98 2.98 -0.20 3.99 0.74 -0.85 -4.99 119.66 117.36 2e9h s GLN 73 Ca 0.18 -0.87 -0.02 0.00 0.05 0.00 0.00 55.36 54.70 2e9h s GLN 73 Cb 0.07 -2.30 0.00 0.00 1.10 0.00 0.00 33.01 31.89 2e9h s GLN 73 CO -0.02 0.22 -0.11 -0.06 -0.55 0.00 0.00 175.29 174.77 2e9h s PHE 74 N 0.25 2.88 -0.51 1.67 0.40 -1.26 -2.70 117.98 118.72 2e9h s PHE 74 Ca -0.16 -1.21 0.04 0.00 -0.60 0.00 0.00 56.93 55.00 2e9h s PHE 74 Cb -0.17 -2.03 0.16 0.00 0.51 0.00 0.00 43.02 41.50 2e9h s PHE 74 CO 0.08 -0.65 0.37 0.34 0.70 0.00 0.00 175.22 176.07 2e9h s ASP 75 N 1.39 2.84 0.38 1.36 -1.08 -1.08 -4.96 116.67 115.51 2e9h s ASP 75 Ca 0.05 -3.24 0.07 0.00 -0.52 0.00 0.00 52.55 48.92 2e9h s ASP 75 Cb -0.14 -0.89 0.79 0.00 -1.46 0.00 0.00 42.92 41.23 2e9h s ASP 75 CO -0.07 -0.16 1.97 0.58 0.52 0.00 0.00 175.17 178.01 2e9h h VAL 76 N 4.64 1.01 -0.50 1.11 2.07 -1.93 1.03 116.25 123.67 2e9h h VAL 76 Ca 0.19 -0.24 0.10 0.00 0.82 0.00 0.00 66.70 67.57 2e9h h VAL 76 Cb 0.86 0.26 -0.09 0.00 -1.52 0.00 0.00 31.29 30.80 2e9h h VAL 76 CO 0.49 0.13 -0.09 0.50 0.02 0.00 0.00 177.57 178.62 2e9h h LYS 77 N 0.69 0.03 -0.35 1.57 3.64 -1.97 -1.78 116.57 118.41 2e9h h LYS 77 Ca 0.30 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 2e9h h LYS 77 Cb 0.28 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2e9h h LYS 77 CO -0.09 0.02 0.00 0.09 -2.27 0.00 0.00 179.45 177.19 2e9h n ASN 78 N -5.33 3.04 -2.97 4.20 3.02 -0.88 -4.96 115.26 111.38 2e9h n ASN 78 Ca 0.05 -1.89 -0.18 0.00 -0.03 0.00 0.00 54.58 52.53 2e9h n ASN 78 Cb 0.27 -0.23 -0.00 0.00 -0.61 0.00 0.00 39.78 39.21 2e9h n ASN 78 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2e9h n ASP 79 N 0.99 -3.57 -4.60 6.41 8.00 0.35 -4.92 116.55 119.20 2e9h n ASP 79 Ca 0.15 -0.11 -0.36 0.00 0.71 0.00 0.00 54.79 55.17 2e9h n ASP 79 Cb 0.48 -3.00 -0.10 0.00 -0.02 0.00 0.00 41.12 38.47 2e9h n ASP 79 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2e9h s ARG 80 N -5.58 3.94 -0.14 -1.24 1.70 -0.79 -4.75 118.95 112.09 2e9h s ARG 80 Ca 0.23 -0.34 0.02 0.00 -0.47 0.00 0.00 55.73 55.16 2e9h s ARG 80 Cb -0.12 -3.37 0.00 0.00 -0.57 0.00 0.00 34.95 30.89 2e9h s ARG 80 CO 0.28 0.08 -0.19 0.71 -1.08 0.00 0.00 175.30 175.10 2e9h s TYR 81 N 0.93 2.70 0.21 5.89 1.51 -1.26 -2.65 117.35 124.68 2e9h s TYR 81 Ca 0.05 -1.11 0.10 0.00 -1.01 0.00 0.00 57.07 55.11 2e9h s TYR 81 Cb -0.13 -1.83 -0.04 0.00 -0.11 0.00 0.00 41.96 39.84 2e9h s TYR 81 CO 0.03 -0.49 -0.15 0.42 -1.11 0.00 0.00 175.55 174.25 2e9h s ILE 82 N 0.68 2.82 -0.19 2.71 1.01 -1.10 -2.64 121.20 124.50 2e9h s ILE 82 Ca -0.09 -1.94 -0.01 0.00 0.00 0.00 0.00 60.65 58.61 2e9h s ILE 82 Cb -0.16 -2.41 0.05 0.00 0.01 0.00 0.00 42.46 39.95 2e9h s ILE 82 CO 0.02 -0.19 -0.01 -0.69 0.00 0.00 0.00 174.94 174.07 2e9h s VAL 83 N -1.90 0.88 -0.01 2.92 1.01 -0.95 -2.00 120.40 120.36 2e9h s VAL 83 Ca 0.25 -0.68 -0.30 0.00 0.00 0.00 0.00 61.98 61.25 2e9h s VAL 83 Cb -0.08 -1.23 -0.09 0.00 0.00 0.00 0.00 36.38 34.99 2e9h s VAL 83 CO 0.14 -0.07 2.01 0.59 0.00 0.00 0.00 175.10 177.77 2e9h n ASN 84 N 4.93 3.99 0.00 3.32 3.02 -0.61 -2.02 115.26 127.89 2e9h n ASN 84 Ca -0.10 0.80 0.00 0.00 -0.03 0.00 0.00 54.58 55.24 2e9h n ASN 84 Cb 0.47 -1.52 0.00 0.00 -0.61 0.00 0.00 39.78 38.11 2e9h n ASN 84 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2e9h n GLY 85 N 4.74 3.71 3.63 7.41 0.00 -1.25 -4.54 105.19 118.90 2e9h n GLY 85 Ca 0.22 -1.58 -0.43 0.00 0.00 0.00 0.00 46.02 44.23 2e9h n GLY 85 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2e9h s SER 86 N 0.00 6.86 -0.10 1.61 1.04 -1.26 -2.48 113.70 119.37 2e9h s SER 86 Ca 0.00 0.95 -0.07 0.00 0.48 0.00 0.00 55.95 57.31 2e9h s SER 86 Cb 0.00 -2.49 0.03 0.00 0.10 0.00 0.00 66.02 63.66 2e9h s SER 86 CO 0.00 -0.76 0.24 -1.00 0.98 0.00 0.00 173.24 172.70 2e9h s HIS 87 N 3.36 -0.29 0.29 5.02 3.76 -1.26 -5.02 115.29 121.15 2e9h s HIS 87 Ca 0.41 0.70 -0.12 0.00 -0.15 0.00 0.00 55.06 55.89 2e9h s HIS 87 Cb -0.13 0.08 -0.08 0.00 1.11 0.00 0.00 32.58 33.56 2e9h s HIS 87 CO 0.13 -0.16 0.67 -1.83 -0.85 0.00 0.00 174.74 172.69 2e9h s GLU 88 N 0.51 3.90 0.20 1.40 -1.05 -1.26 -4.81 118.70 117.59 2e9h s GLU 88 Ca -0.03 0.49 -0.17 0.00 -0.15 0.00 0.00 54.97 55.12 2e9h s GLU 88 Cb -0.05 -2.51 0.18 0.00 -0.44 0.00 0.00 34.13 31.31 2e9h s GLU 88 CO -0.03 0.20 1.62 0.00 0.95 0.00 0.00 175.26 178.00 2e9h h ALA 89 N 2.27 0.23 -0.94 -0.84 0.00 -1.91 0.98 119.26 119.05 2e9h h ALA 89 Ca -0.47 0.20 0.26 0.00 0.00 0.00 0.00 54.91 54.90 2e9h h ALA 89 Cb 1.17 0.55 -0.14 0.00 0.00 0.00 0.00 17.79 19.38 2e9h h ALA 89 CO 0.67 -0.52 0.42 -0.97 0.00 0.00 0.00 179.25 178.85 2e9h h ASN 90 N -0.07 0.33 -0.40 0.00 -1.24 -1.94 0.31 115.58 112.57 2e9h h ASN 90 Ca 0.26 0.18 -0.04 0.00 0.71 0.00 0.00 56.30 57.40 2e9h h ASN 90 Cb 0.48 0.16 -0.02 0.00 0.73 0.00 0.00 38.32 39.68 2e9h h ASN 90 CO -0.62 -0.08 0.08 0.50 -1.29 0.00 0.00 177.43 176.03 2e9h h LYS 91 N 0.34 0.66 0.62 6.67 1.63 -1.21 -2.44 116.57 122.84 2e9h h LYS 91 Ca 0.62 -0.17 -0.03 0.00 -0.85 0.00 0.00 60.65 60.22 2e9h h LYS 91 Cb 1.28 -0.08 0.01 0.00 -0.60 0.00 0.00 32.23 32.83 2e9h h LYS 91 CO -0.58 0.70 -0.30 -0.07 -3.45 0.00 0.00 179.45 175.74 2e9h h LEU 92 N 0.51 -0.70 -1.19 5.20 3.38 -0.03 -2.28 115.31 120.19 2e9h h LEU 92 Ca 0.12 0.02 0.37 0.00 0.09 0.00 0.00 57.88 58.49 2e9h h LEU 92 Cb 0.35 0.18 -0.14 0.00 0.09 0.00 0.00 40.66 41.14 2e9h h LEU 92 CO 0.01 -0.38 0.68 1.56 0.09 0.00 0.00 178.44 180.39 2e9h h GLN 93 N -1.07 0.20 -0.06 1.13 1.08 -0.71 0.43 115.11 116.11 2e9h h GLN 93 Ca -0.09 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.09 2e9h h GLN 93 Cb 0.64 -0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 28.02 2e9h h GLN 93 CO 0.14 0.13 -0.00 0.22 -0.95 0.00 0.00 178.83 178.37 2e9h h ASP 94 N 0.21 0.11 0.35 1.46 1.82 -1.35 -3.12 116.42 115.90 2e9h h ASP 94 Ca 0.76 -0.32 -0.02 0.00 -0.39 0.00 0.00 57.03 57.06 2e9h h ASP 94 Cb 2.05 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 42.03 2e9h h ASP 94 CO -0.52 0.41 -0.17 0.24 -1.61 0.00 0.00 179.24 177.59 2e9h h MET 95 N -0.19 -0.46 -0.82 0.28 2.86 0.26 -3.15 114.93 113.72 2e9h h MET 95 Ca 0.02 0.03 0.20 0.00 -2.06 0.00 0.00 59.70 57.89 2e9h h MET 95 Cb 0.35 0.10 -0.15 0.00 0.06 0.00 0.00 31.60 31.96 2e9h h MET 95 CO 0.00 -0.16 -0.07 -0.11 1.06 0.00 0.00 176.91 177.63 2e9h n LEU 96 N -5.18 -0.18 -0.28 1.22 7.94 0.94 -0.37 117.00 121.09 2e9h n LEU 96 Ca -0.10 1.41 -0.05 0.00 -1.11 0.00 0.00 56.01 56.16 2e9h n LEU 96 Cb 0.27 -0.48 -0.03 0.00 0.53 0.00 0.00 43.42 43.71 2e9h n LEU 96 CO 0.32 -1.39 0.35 -0.67 -1.11 0.00 0.00 177.39 174.89 2e9h n ASP 97 N -5.25 -0.61 -0.36 1.96 2.03 -1.18 0.70 116.55 113.85 2e9h n ASP 97 Ca 0.17 1.20 0.02 0.00 0.52 0.00 0.00 54.79 56.70 2e9h n ASP 97 Cb 0.54 -0.20 0.09 0.00 -0.72 0.00 0.00 41.12 40.83 2e9h n ASP 97 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 2e9h h GLY 98 N 0.00 0.41 0.55 0.27 0.00 -0.89 0.96 103.07 104.37 2e9h h GLY 98 Ca 0.16 0.41 -0.02 0.00 0.00 0.00 0.00 47.33 47.88 2e9h h GLY 98 CO -0.65 -0.29 -0.45 -2.75 0.00 0.00 0.00 176.54 172.40 2e9h h PHE 99 N -0.01 -1.22 0.00 5.60 3.57 0.13 -1.73 116.94 123.28 2e9h h PHE 99 Ca 0.41 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.91 2e9h h PHE 99 Cb 0.66 0.46 -0.00 0.00 2.79 0.00 0.00 35.95 39.86 2e9h h PHE 99 CO -0.79 -0.62 -0.00 0.82 -2.23 0.00 0.00 178.31 175.48 2e9h h ILE 100 N -0.97 0.10 0.00 1.41 2.04 -0.92 0.86 117.51 120.03 2e9h h ILE 100 Ca -0.07 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 2e9h h ILE 100 Cb 0.81 1.02 -0.00 0.00 -0.74 0.00 0.00 36.82 37.91 2e9h h ILE 100 CO 0.00 0.00 -0.05 0.50 0.00 0.00 0.00 178.15 178.60 2e9h h LYS 101 N 0.00 0.00 0.00 2.37 3.64 0.18 0.17 116.57 122.93 2e9h h LYS 101 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2e9h h LYS 101 Cb 0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 2e9h h LYS 101 CO 0.00 0.05 -0.20 0.36 -2.27 0.00 0.00 179.45 177.39 2e9h n LYS 102 N -4.25 0.00 0.30 1.90 2.85 -0.48 -4.28 118.16 114.20 2e9h n LYS 102 Ca -0.03 0.00 0.10 0.00 -1.05 0.00 0.00 58.31 57.33 2e9h n LYS 102 Cb 0.14 -0.21 0.54 0.00 -0.65 0.00 0.00 35.03 34.84 2e9h n LYS 102 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 177.40 178.09 2e9h h PHE 103 N 0.00 0.00 0.00 5.58 -1.00 0.51 -3.27 116.94 118.75 2e9h h PHE 103 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2e9h h PHE 103 Cb 0.20 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.76 2e9h h PHE 103 CO 0.00 0.00 0.00 0.28 -1.61 0.00 0.00 178.31 176.98 2e9h n VAL 104 N -2.63 0.05 -0.65 -0.55 0.31 -1.18 -4.94 118.33 108.72 2e9h n VAL 104 Ca -0.01 0.02 -0.32 0.00 -0.01 0.00 0.00 64.34 64.01 2e9h n VAL 104 Cb 0.52 -0.96 0.18 0.00 -0.91 0.00 0.00 33.84 32.67 2e9h n VAL 104 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2e9h n LEU 105 N -2.54 -2.12 -4.54 7.52 4.77 0.58 -4.14 117.00 116.54 2e9h n LEU 105 Ca 0.00 -0.11 -0.34 0.00 -0.03 0.00 0.00 56.01 55.53 2e9h n LEU 105 Cb 0.00 -1.00 -0.12 0.00 -2.33 0.00 0.00 43.42 39.97 2e9h n LEU 105 CO 0.00 -3.14 -0.36 0.00 -1.33 0.00 0.00 177.39 172.57 2e9h n PRO 107 N 3.02 0.49 0.00 0.00 -0.04 -1.26 0.11 135.00 137.32 2e9h n PRO 107 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 2e9h n PRO 107 Cb 0.53 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.78 2e9h n PRO 107 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2e9h n GLU 108 N -0.71 0.00 -0.21 0.54 -0.58 -1.26 -4.84 120.64 113.58 2e9h n GLU 108 Ca 0.05 0.00 0.07 0.00 -0.42 0.00 0.00 57.16 56.86 2e9h n GLU 108 Cb 0.02 -0.30 0.16 0.00 -0.57 0.00 0.00 31.44 30.75 2e9h n GLU 108 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2e9h n GLU 110 N -0.53 -2.01 -2.51 0.00 4.71 0.29 -4.71 120.64 115.87 2e9h n GLU 110 Ca 0.14 0.03 -0.42 0.00 -0.01 0.00 0.00 57.16 56.90 2e9h n GLU 110 Cb 0.62 -3.35 -0.03 0.00 -1.01 0.00 0.00 31.44 27.67 2e9h n GLU 110 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 2e9h s ASN 111 N -1.79 7.12 0.00 1.62 3.84 -1.26 -4.15 114.94 120.32 2e9h s ASN 111 Ca 0.17 1.79 0.15 0.00 0.21 0.00 0.00 52.86 55.18 2e9h s ASN 111 Cb -0.10 -2.56 0.81 0.00 -0.55 0.00 0.00 41.25 38.84 2e9h s ASN 111 CO 0.21 -0.50 1.39 -0.81 -2.79 0.00 0.00 177.10 174.59 2e9h n PRO 112 N 4.77 0.30 -3.82 0.43 -0.04 -1.26 -2.20 135.00 133.18 2e9h n PRO 112 Ca 0.10 0.10 -0.34 0.00 -0.04 0.00 0.00 63.50 63.31 2e9h n PRO 112 Cb 0.47 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.31 2e9h n PRO 112 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2e9h s GLU 113 N -2.39 2.12 0.43 0.54 0.41 -1.26 -4.65 118.70 113.89 2e9h s GLU 113 Ca 0.17 -2.22 0.04 0.00 -0.41 0.00 0.00 54.97 52.55 2e9h s GLU 113 Cb 0.10 -3.53 -0.02 0.00 -1.78 0.00 0.00 34.13 28.90 2e9h s GLU 113 CO 0.21 -1.10 0.15 0.95 -0.49 0.00 0.00 175.26 174.98 2e9h s THR 114 N 0.43 0.50 0.14 3.63 -4.23 -1.26 -4.63 115.64 110.23 2e9h s THR 114 Ca 0.13 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.72 2e9h s THR 114 Cb -0.22 -2.27 -0.04 0.00 1.34 0.00 0.00 72.50 71.31 2e9h s THR 114 CO -0.04 0.00 -0.19 -1.81 -0.54 0.00 0.00 174.62 172.05 2e9h s ASP 115 N -3.64 2.58 0.11 3.99 1.01 0.15 -5.01 116.67 115.85 2e9h s ASP 115 Ca 0.21 -0.81 0.08 0.00 0.71 0.00 0.00 52.55 52.75 2e9h s ASP 115 Cb 0.01 -0.14 -0.04 0.00 1.01 0.00 0.00 42.92 43.76 2e9h s ASP 115 CO 0.15 -0.02 -0.20 -0.76 0.21 0.00 0.00 175.17 174.55 2e9h s LEU 116 N -2.43 2.32 0.01 1.23 1.43 -1.26 0.01 118.68 119.99 2e9h s LEU 116 Ca 0.12 -0.71 0.05 0.00 -1.03 0.00 0.00 54.13 52.56 2e9h s LEU 116 Cb -0.07 -0.84 -0.02 0.00 0.03 0.00 0.00 46.19 45.30 2e9h s LEU 116 CO 0.06 0.03 -0.15 -1.00 0.23 0.00 0.00 176.35 175.51 2e9h s HIS 117 N -1.33 1.36 0.06 0.29 3.76 0.62 -4.92 115.29 115.13 2e9h s HIS 117 Ca 0.07 -0.30 0.09 0.00 -0.15 0.00 0.00 55.06 54.78 2e9h s HIS 117 Cb -0.09 -0.85 -0.03 0.00 1.11 0.00 0.00 32.58 32.72 2e9h s HIS 117 CO 0.04 0.01 -0.24 0.54 -0.85 0.00 0.00 174.74 174.24 2e9h s VAL 118 N -0.55 1.99 -0.20 -0.90 0.11 -1.26 -0.38 120.40 119.20 2e9h s VAL 118 Ca 0.05 -1.41 -0.04 0.00 -2.93 0.00 0.00 61.98 57.65 2e9h s VAL 118 Cb -0.07 -1.73 0.07 0.00 -1.53 0.00 0.00 36.38 33.13 2e9h s VAL 118 CO 0.00 0.24 0.08 0.21 -3.33 0.00 0.00 175.10 172.31 2e9h s ASN 119 N -1.41 2.78 0.30 3.54 3.84 -1.06 -5.01 114.94 117.91 2e9h s ASN 119 Ca 0.10 -0.83 0.09 0.00 0.21 0.00 0.00 52.86 52.43 2e9h s ASN 119 Cb -0.10 -0.37 0.48 0.00 -0.55 0.00 0.00 41.25 40.71 2e9h s ASN 119 CO 0.03 -0.36 1.70 1.55 -2.79 0.00 0.00 177.10 177.23 2e9h h PRO 120 N 8.36 0.11 0.31 0.43 0.13 -1.93 0.16 132.00 139.57 2e9h h PRO 120 Ca -0.16 -0.06 -0.02 0.00 -0.87 0.00 0.00 66.00 64.90 2e9h h PRO 120 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2e9h h PRO 120 CO 0.34 0.56 -0.15 -0.22 -0.23 0.00 0.00 178.00 178.30 2e9h h LYS 121 N 0.09 -0.40 0.00 0.86 1.63 -1.97 -3.24 116.57 113.54 2e9h h LYS 121 Ca 0.00 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 2e9h h LYS 121 Cb 0.88 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.60 2e9h h LYS 121 CO 0.07 -0.14 0.00 1.63 -3.45 0.00 0.00 179.45 177.56 2e9h n LYS 122 N -5.05 0.10 -3.83 1.90 4.76 -1.24 -4.91 118.16 109.88 2e9h n LYS 122 Ca -0.07 0.23 -0.25 0.00 -2.87 0.00 0.00 58.31 55.35 2e9h n LYS 122 Cb 0.23 -1.65 0.01 0.00 -1.84 0.00 0.00 35.03 31.78 2e9h n LYS 122 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 2e9h n GLN 123 N -1.83 -4.54 -4.03 1.97 1.13 0.55 -4.98 117.38 105.65 2e9h n GLN 123 Ca 0.04 0.55 -0.08 0.00 -1.94 0.00 0.00 57.00 55.57 2e9h n GLN 123 Cb 0.27 -5.07 -0.11 0.00 0.11 0.00 0.00 30.24 25.44 2e9h n GLN 123 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2e9h s THR 124 N -3.65 0.18 0.07 5.09 -4.23 -1.07 -5.03 115.64 106.99 2e9h s THR 124 Ca 0.17 -1.26 0.03 0.00 -1.18 0.00 0.00 61.69 59.45 2e9h s THR 124 Cb -0.09 -0.75 -0.04 0.00 1.34 0.00 0.00 72.50 72.96 2e9h s THR 124 CO 0.84 -0.68 0.07 -0.63 -0.54 0.00 0.00 174.62 173.68 2e9h s ILE 125 N -2.37 4.50 0.15 2.99 1.01 -1.26 -2.58 121.20 123.64 2e9h s ILE 125 Ca -0.07 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 59.86 2e9h s ILE 125 Cb -0.03 -3.15 -0.04 0.00 0.01 0.00 0.00 42.46 39.25 2e9h s ILE 125 CO -0.04 0.17 0.02 -0.83 0.00 0.00 0.00 174.94 174.25 2e9h s GLY 126 N -2.26 1.09 -0.09 6.18 0.00 0.49 -1.49 107.32 111.24 2e9h s GLY 126 Ca 0.28 -1.53 -0.04 0.00 0.00 0.00 0.00 44.72 43.43 2e9h s GLY 126 CO 0.20 -1.45 0.21 0.54 0.00 0.00 0.00 173.10 172.60 2e9h s ASN 127 N -3.11 -0.21 0.04 1.64 4.22 -0.97 -0.28 114.94 116.27 2e9h s ASN 127 Ca 0.23 0.44 0.05 0.00 -2.14 0.00 0.00 52.86 51.44 2e9h s ASN 127 Cb 0.07 0.33 -0.02 0.00 1.28 0.00 0.00 41.25 42.91 2e9h s ASN 127 CO 0.02 -0.15 -0.15 -0.55 -2.04 0.00 0.00 177.10 174.23 2e9h s SER 128 N 1.17 1.76 0.29 3.54 0.15 0.10 -2.36 113.70 118.34 2e9h s SER 128 Ca -0.09 -0.46 0.11 0.00 0.70 0.00 0.00 55.95 56.22 2e9h s SER 128 Cb -0.10 -0.12 -0.05 0.00 -1.71 0.00 0.00 66.02 64.04 2e9h s SER 128 CO -0.07 0.05 -0.16 0.00 1.20 0.00 0.00 173.24 174.26 2e9h n LYS 130 N -0.68 0.63 -0.25 0.00 3.00 -1.26 -3.56 118.16 116.04 2e9h n LYS 130 Ca -0.05 0.05 -0.04 0.00 -0.00 0.00 0.00 58.31 58.27 2e9h n LYS 130 Cb 0.60 -1.19 0.02 0.00 0.00 0.00 0.00 35.03 34.47 2e9h n LYS 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2e9h h ALA 131 N 0.06 0.05 0.00 3.14 0.00 -1.97 -3.26 119.26 117.27 2e9h h ALA 131 Ca -0.21 0.20 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 2e9h h ALA 131 Cb 1.34 0.83 -0.05 0.00 0.00 0.00 0.00 17.79 19.91 2e9h h ALA 131 CO -0.03 -0.64 -2.00 0.00 0.00 0.00 0.00 179.25 176.58 2e9h n GLY 133 N 2.54 0.97 3.70 0.00 0.00 -1.23 -5.11 105.19 106.05 2e9h n GLY 133 Ca -0.32 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.31 2e9h n GLY 133 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2e9h s TYR 134 N -1.79 3.47 -0.08 1.61 6.14 -1.23 -4.87 117.35 120.60 2e9h s TYR 134 Ca 0.00 0.94 -0.01 0.00 0.64 0.00 0.00 57.07 58.65 2e9h s TYR 134 Cb 0.00 -2.67 0.03 0.00 0.42 0.00 0.00 41.96 39.73 2e9h s TYR 134 CO 0.00 0.03 -0.02 1.03 0.64 0.00 0.00 175.55 177.23 2e9h s ARG 135 N 1.11 0.86 0.00 4.97 3.00 -1.26 0.08 118.95 127.70 2e9h s ARG 135 Ca 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 55.73 56.00 2e9h s ARG 135 Cb -0.16 -1.10 0.00 0.00 0.00 0.00 0.00 34.95 33.69 2e9h s ARG 135 CO 0.12 -0.26 0.00 0.41 0.00 0.00 0.00 175.30 175.57 2e9h n GLY 136 N 4.93 2.43 3.17 -3.53 0.00 -1.00 -5.04 105.19 106.15 2e9h n GLY 136 Ca -0.11 -0.93 -0.33 0.00 0.00 0.00 0.00 46.02 44.65 2e9h n GLY 136 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2e9h s MET 137 N -0.84 3.05 0.38 1.61 0.23 -1.26 -2.29 119.30 120.18 2e9h s MET 137 Ca 0.00 -0.82 -0.27 0.00 -1.03 0.00 0.00 55.69 53.57 2e9h s MET 137 Cb 0.00 -2.55 -0.09 0.00 -1.53 0.00 0.00 34.83 30.66 2e9h s MET 137 CO 0.00 -0.11 1.31 -0.51 -2.03 0.00 0.00 175.02 173.68 2e9h s LEU 138 N 1.06 4.29 -0.15 0.18 1.43 -0.55 -4.90 118.68 120.04 2e9h s LEU 138 Ca -0.01 2.68 0.05 0.00 -1.03 0.00 0.00 54.13 55.83 2e9h s LEU 138 Cb -0.14 -3.81 0.37 0.00 0.03 0.00 0.00 46.19 42.64 2e9h s LEU 138 CO -0.07 -0.75 1.21 -0.67 0.23 0.00 0.00 176.35 176.31 2e9h n ASP 139 N 0.37 3.31 -4.04 2.29 2.03 -1.26 -4.51 116.55 114.73 2e9h n ASP 139 Ca 0.02 -2.55 -0.53 0.00 0.52 0.00 0.00 54.79 52.25 2e9h n ASP 139 Cb 0.43 -0.61 -0.07 0.00 -0.72 0.00 0.00 41.12 40.14 2e9h n ASP 139 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2e9h n THR 140 N 0.11 0.00 -1.24 5.18 -1.04 -1.26 -4.86 114.28 111.17 2e9h n THR 140 Ca 0.18 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.87 2e9h n THR 140 Cb 0.82 -0.03 0.11 0.00 -1.82 0.00 0.00 70.33 69.41 2e9h n THR 140 CO 0.00 0.00 0.00 -1.38 -0.64 0.00 0.00 175.07 173.05 2e9h s HIS 141 N 0.18 2.11 0.34 -1.42 -3.43 -1.26 -4.63 115.29 107.18 2e9h s HIS 141 Ca 0.82 1.64 0.04 0.00 -0.80 0.00 0.00 55.06 56.76 2e9h s HIS 141 Cb -1.15 -3.31 0.67 0.00 -1.43 0.00 0.00 32.58 27.36 2e9h s HIS 141 CO 0.52 -2.38 1.95 1.12 -2.00 0.00 0.00 174.74 173.95 2e9h h HIS 142 N -0.86 0.86 -0.36 0.38 2.07 -1.96 0.34 115.15 115.62 2e9h h HIS 142 Ca -0.45 0.02 0.04 0.00 -2.85 0.00 0.00 60.37 57.13 2e9h h HIS 142 Cb 1.27 -0.28 -0.06 0.00 2.57 0.00 0.00 27.41 30.91 2e9h h HIS 142 CO 0.51 0.46 -0.38 0.87 -3.07 0.00 0.00 177.93 176.32 2e9h h LYS 143 N 0.85 -0.20 0.00 5.12 1.79 -2.00 -0.16 116.57 121.97 2e9h h LYS 143 Ca 0.33 0.01 -0.05 0.00 -2.18 0.00 0.00 60.65 58.77 2e9h h LYS 143 Cb 0.22 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.91 2e9h h LYS 143 CO -0.11 -0.13 -0.27 1.25 -1.08 0.00 0.00 179.45 179.11 2e9h h LEU 144 N -0.20 0.00 -0.84 2.94 5.85 -1.90 -3.34 115.31 117.82 2e9h h LEU 144 Ca 0.06 -0.73 0.13 0.00 0.84 0.00 0.00 57.88 58.18 2e9h h LEU 144 Cb 0.37 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 41.26 2e9h h LEU 144 CO -0.45 1.02 -0.33 0.00 -0.34 0.00 0.00 178.44 178.34 2e9h h THR 146 N 0.00 0.45 0.25 0.00 2.02 -1.18 -1.24 112.91 113.22 2e9h h THR 146 Ca 0.29 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.48 2e9h h THR 146 Cb 0.50 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 2e9h h THR 146 CO -0.84 0.00 -0.26 0.15 0.37 0.00 0.00 175.52 174.94 2e9h h PHE 147 N -0.13 -0.70 -0.55 3.16 3.04 -0.08 -1.48 116.94 120.19 2e9h h PHE 147 Ca 0.18 0.01 0.10 0.00 3.98 0.00 0.00 57.97 62.24 2e9h h PHE 147 Cb 0.40 0.28 -0.11 0.00 2.56 0.00 0.00 35.95 39.08 2e9h h PHE 147 CO -0.40 -0.38 -0.28 0.82 -2.02 0.00 0.00 178.31 176.05 2e9h h ILE 148 N -0.55 0.24 -0.03 1.41 2.04 -0.58 -1.30 117.51 118.74 2e9h h ILE 148 Ca -0.00 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.89 2e9h h ILE 148 Cb 0.52 0.24 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 2e9h h ILE 148 CO -0.07 0.00 -0.16 -0.07 0.00 0.00 0.00 178.15 177.85 2e9h h LEU 149 N -0.14 -0.48 -0.90 1.44 3.38 -1.00 -2.43 115.31 115.19 2e9h h LEU 149 Ca 0.24 0.07 0.20 0.00 0.09 0.00 0.00 57.88 58.48 2e9h h LEU 149 Cb 0.52 0.21 -0.17 0.00 0.09 0.00 0.00 40.66 41.31 2e9h h LEU 149 CO -0.63 -0.22 -0.15 0.11 0.09 0.00 0.00 178.44 177.64 2e9h h LYS 150 N -0.25 0.01 -4.36 1.13 1.57 -0.17 -3.30 116.57 111.20 2e9h h LYS 150 Ca 0.06 -0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.21 2e9h h LYS 150 Cb 0.34 -0.00 -0.39 0.00 0.08 0.00 0.00 32.23 32.25 2e9h h LYS 150 CO -0.18 0.01 -0.76 0.54 -0.57 0.00 0.00 179.45 178.50 2e9h s ASN 151 N -5.20 4.30 0.98 0.86 2.20 -0.92 -5.12 114.94 112.05 2e9h s ASN 151 Ca -0.14 -1.68 -0.12 0.00 -0.94 0.00 0.00 52.86 49.98 2e9h s ASN 151 Cb 0.25 -1.32 0.18 0.00 -2.00 0.00 0.00 41.25 38.36 2e9h s ASN 151 CO 0.77 -0.33 1.09 -2.16 -2.94 0.00 0.00 177.10 173.53 2e9h s PRO 152 N 1.23 0.56 0.40 3.55 0.04 -1.21 -4.70 135.00 134.86 2e9h s PRO 152 Ca 0.04 0.57 -0.25 0.00 0.04 0.00 0.00 61.00 61.40 2e9h s PRO 152 Cb -0.19 -1.75 -0.08 0.00 0.04 0.00 0.00 34.50 32.52 2e9h s PRO 152 CO -0.11 -2.66 1.19 -1.25 0.04 0.00 0.00 177.00 174.21 2e9h s PRO 153 N -4.96 4.04 0.54 0.56 0.04 -1.26 -5.01 135.00 128.95 2e9h s PRO 153 Ca 0.65 1.89 -0.18 0.00 0.04 0.00 0.00 61.00 63.40 2e9h s PRO 153 Cb -0.18 -2.69 -0.06 0.00 0.04 0.00 0.00 34.50 31.60 2e9h s PRO 153 CO 0.57 -0.34 1.06 -2.00 0.04 0.00 0.00 177.00 176.33 2e9h s GLU 154 N -2.28 3.55 -0.24 4.56 2.12 -1.26 -4.99 118.70 120.16 2e9h s GLU 154 Ca 0.57 1.32 -0.29 0.00 0.36 0.00 0.00 54.97 56.93 2e9h s GLU 154 Cb -0.32 -2.06 0.01 0.00 0.26 0.00 0.00 34.13 32.02 2e9h s GLU 154 CO 0.40 -0.64 1.11 -0.80 -0.54 0.00 0.00 175.26 174.79 2e9h s ASN 155 N -2.30 7.00 0.23 -1.70 -0.87 -1.26 -4.93 114.94 111.12 2e9h s ASN 155 Ca 0.66 1.35 -0.16 0.00 -1.57 0.00 0.00 52.86 53.14 2e9h s ASN 155 Cb -0.17 -2.54 0.27 0.00 -0.02 0.00 0.00 41.25 38.79 2e9h s ASN 155 CO 0.28 -0.76 1.53 -1.54 -2.57 0.00 0.00 177.10 174.04 2e9h n SER 156 N 6.59 -0.60 0.00 -1.22 3.41 -1.26 -5.33 113.62 115.21 2e9h n SER 156 Ca 0.13 1.72 0.00 0.00 -0.26 0.00 0.00 58.87 60.45 2e9h n SER 156 Cb 0.46 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 2e9h n SER 156 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21