#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2onk h PHE 2 N 0.00 0.17 -3.16 2.03 3.57 -1.47 -3.41 116.94 114.67 2onk h PHE 2 Ca 0.00 0.02 -0.62 0.00 3.53 0.00 0.00 57.97 60.91 2onk h PHE 2 Cb 0.00 -0.01 -0.35 0.00 2.79 0.00 0.00 35.95 38.37 2onk h PHE 2 CO 0.00 0.04 -0.84 -1.17 -2.23 0.00 0.00 178.31 174.10 2onk s LEU 3 N -10.39 1.81 -0.04 0.59 2.96 -1.13 -2.39 118.68 110.09 2onk s LEU 3 Ca -0.13 -0.51 0.06 0.00 -0.22 0.00 0.00 54.13 53.33 2onk s LEU 3 Cb 0.13 -1.23 -0.02 0.00 0.50 0.00 0.00 46.19 45.58 2onk s LEU 3 CO 0.72 -0.01 -0.23 -0.54 -1.32 0.00 0.00 176.35 174.97 2onk s LYS 4 N 1.22 2.41 -0.19 1.98 1.02 0.06 -0.57 119.74 125.68 2onk s LYS 4 Ca -0.00 -0.86 -0.04 0.00 0.02 0.00 0.00 55.97 55.08 2onk s LYS 4 Cb -0.14 -2.18 0.08 0.00 -0.52 0.00 0.00 37.83 35.07 2onk s LYS 4 CO -0.07 0.49 0.17 0.08 -0.92 0.00 0.00 175.35 175.10 2onk s VAL 5 N -0.42 -0.24 -0.23 3.17 1.01 0.12 -0.86 120.40 122.95 2onk s VAL 5 Ca 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.92 2onk s VAL 5 Cb -0.12 -0.62 0.06 0.00 0.00 0.00 0.00 36.38 35.70 2onk s VAL 5 CO 0.01 -0.21 -0.04 -0.60 0.00 0.00 0.00 175.10 174.26 2onk s ARG 6 N 2.26 1.45 -0.05 2.72 3.52 -1.17 -0.02 118.95 127.67 2onk s ARG 6 Ca 0.05 -0.89 -0.29 0.00 -0.13 0.00 0.00 55.73 54.47 2onk s ARG 6 Cb -0.16 -2.50 0.10 0.00 -1.56 0.00 0.00 34.95 30.83 2onk s ARG 6 CO -0.11 -0.60 0.87 0.00 -0.81 0.00 0.00 175.30 174.65 2onk s ALA 7 N 1.48 -1.83 0.08 6.12 0.00 -0.62 -2.17 121.76 124.81 2onk s ALA 7 Ca -0.05 1.20 0.08 0.00 0.00 0.00 0.00 51.96 53.19 2onk s ALA 7 Cb -0.19 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 2onk s ALA 7 CO -0.06 -0.53 -0.20 -1.21 0.00 0.00 0.00 175.76 173.76 2onk s GLU 8 N -2.26 1.87 -0.15 0.00 2.02 0.95 -0.64 118.70 120.49 2onk s GLU 8 Ca 0.00 -1.10 -0.09 0.00 0.02 0.00 0.00 54.97 53.80 2onk s GLU 8 Cb -0.01 -2.11 0.05 0.00 0.10 0.00 0.00 34.13 32.17 2onk s GLU 8 CO -0.03 0.51 0.37 0.21 0.02 0.00 0.00 175.26 176.34 2onk s LYS 9 N -1.73 0.36 -0.12 1.61 2.47 0.15 -1.83 119.74 120.66 2onk s LYS 9 Ca 0.15 0.70 -0.02 0.00 -1.56 0.00 0.00 55.97 55.24 2onk s LYS 9 Cb -0.10 -0.01 -0.03 0.00 -1.46 0.00 0.00 37.83 36.23 2onk s LYS 9 CO 0.07 -0.14 -0.05 0.50 0.16 0.00 0.00 175.35 175.88 2onk s ARG 10 N 1.19 3.33 -0.37 4.03 3.52 -1.26 0.42 118.95 129.81 2onk s ARG 10 Ca -0.08 -0.53 0.03 0.00 -0.13 0.00 0.00 55.73 55.03 2onk s ARG 10 Cb -0.08 -2.79 0.16 0.00 -1.56 0.00 0.00 34.95 30.68 2onk s ARG 10 CO -0.10 0.40 0.41 -0.51 -0.81 0.00 0.00 175.30 174.69 2onk s LEU 11 N -0.09 -0.30 0.00 -0.88 1.43 0.38 -5.02 118.68 114.20 2onk s LEU 11 Ca 0.02 -1.36 0.00 0.00 -1.03 0.00 0.00 54.13 51.76 2onk s LEU 11 Cb -0.13 0.78 0.00 0.00 0.03 0.00 0.00 46.19 46.87 2onk s LEU 11 CO 0.03 -0.26 0.00 0.61 0.23 0.00 0.00 176.35 176.96 2onk n GLY 12 N 4.39 1.26 0.73 -3.19 0.00 -1.26 -1.82 105.19 105.30 2onk n GLY 12 Ca 0.10 -0.59 0.05 0.00 0.00 0.00 0.00 46.02 45.57 2onk n GLY 12 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2onk n ASN 13 N 5.33 2.08 -4.67 1.61 3.02 -1.26 -4.84 115.26 116.53 2onk n ASN 13 Ca 0.00 -2.11 -0.35 0.00 -0.03 0.00 0.00 54.58 52.09 2onk n ASN 13 Cb 0.00 -0.31 -0.09 0.00 -0.61 0.00 0.00 39.78 38.76 2onk n ASN 13 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2onk s PHE 14 N -1.62 3.26 -0.09 3.10 5.36 -0.75 -5.09 117.98 122.13 2onk s PHE 14 Ca 0.22 0.13 0.02 0.00 -0.96 0.00 0.00 56.93 56.34 2onk s PHE 14 Cb 0.13 -1.98 0.02 0.00 -0.34 0.00 0.00 43.02 40.85 2onk s PHE 14 CO 0.13 0.29 -0.13 1.03 -1.46 0.00 0.00 175.22 175.07 2onk s ARG 15 N -0.12 1.96 -0.43 10.12 0.52 -1.26 -0.47 118.95 129.27 2onk s ARG 15 Ca 0.06 -0.47 -0.02 0.00 -0.52 0.00 0.00 55.73 54.78 2onk s ARG 15 Cb -0.12 -1.69 0.11 0.00 0.52 0.00 0.00 34.95 33.77 2onk s ARG 15 CO 0.01 -0.06 0.22 -1.17 0.02 0.00 0.00 175.30 174.33 2onk s LEU 16 N 0.97 5.22 -0.29 2.53 0.20 0.17 -4.19 118.68 123.28 2onk s LEU 16 Ca -0.08 -2.13 0.03 0.00 0.69 0.00 0.00 54.13 52.64 2onk s LEU 16 Cb -0.15 -1.82 0.08 0.00 -0.43 0.00 0.00 46.19 43.87 2onk s LEU 16 CO -0.00 -0.52 -0.04 0.54 -0.29 0.00 0.00 176.35 176.04 2onk s ASN 17 N 1.65 4.49 0.19 3.68 2.20 -1.15 0.30 114.94 126.30 2onk s ASN 17 Ca 0.09 -1.65 0.10 0.00 -0.94 0.00 0.00 52.86 50.46 2onk s ASN 17 Cb -0.22 -1.52 -0.04 0.00 -2.00 0.00 0.00 41.25 37.47 2onk s ASN 17 CO -0.04 -0.27 -0.15 0.68 -2.94 0.00 0.00 177.10 174.38 2onk s VAL 18 N 1.08 2.88 -0.27 3.54 -7.23 0.19 -4.34 120.40 116.25 2onk s VAL 18 Ca -0.01 -1.81 -0.03 0.00 -1.81 0.00 0.00 61.98 58.32 2onk s VAL 18 Cb -0.19 -2.41 0.09 0.00 0.56 0.00 0.00 36.38 34.42 2onk s VAL 18 CO -0.07 -0.12 0.10 -0.62 -0.31 0.00 0.00 175.10 174.08 2onk s ASP 19 N -2.80 3.51 -0.06 4.85 -1.08 -1.23 -1.59 116.67 118.27 2onk s ASP 19 Ca 0.24 -1.28 -0.01 0.00 -0.52 0.00 0.00 52.55 50.98 2onk s ASP 19 Cb -0.08 -0.58 0.03 0.00 -1.46 0.00 0.00 42.92 40.83 2onk s ASP 19 CO 0.13 -0.40 0.01 0.12 0.52 0.00 0.00 175.17 175.55 2onk s PHE 20 N 1.88 0.54 0.10 -5.34 5.36 0.98 -4.91 117.98 116.59 2onk s PHE 20 Ca 0.07 -0.09 0.04 0.00 -0.96 0.00 0.00 56.93 56.00 2onk s PHE 20 Cb -0.17 -0.68 -0.04 0.00 -0.34 0.00 0.00 43.02 41.79 2onk s PHE 20 CO -0.25 -0.26 0.05 -1.21 -1.46 0.00 0.00 175.22 172.09 2onk s GLU 21 N 1.75 2.73 -0.05 10.12 2.02 -1.26 0.14 118.70 134.16 2onk s GLU 21 Ca 0.01 -0.80 -0.08 0.00 0.02 0.00 0.00 54.97 54.12 2onk s GLU 21 Cb -0.13 -2.62 0.01 0.00 0.10 0.00 0.00 34.13 31.50 2onk s GLU 21 CO -0.04 0.54 0.20 1.41 0.02 0.00 0.00 175.26 177.39 2onk s MET 22 N -2.52 0.37 0.00 1.61 -2.45 0.27 -4.98 119.30 111.60 2onk s MET 22 Ca 0.28 0.01 0.00 0.00 -1.25 0.00 0.00 55.69 54.73 2onk s MET 22 Cb -0.11 0.17 0.00 0.00 1.25 0.00 0.00 34.83 36.13 2onk s MET 22 CO 0.21 -0.07 0.00 0.41 1.05 0.00 0.00 175.02 176.61 2onk n GLY 23 N 2.28 -1.11 0.19 2.11 0.00 -1.26 -1.62 105.19 105.78 2onk n GLY 23 Ca -0.17 -1.43 0.09 0.00 0.00 0.00 0.00 46.02 44.51 2onk n GLY 23 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2onk n ARG 24 N 0.00 1.28 0.00 1.61 0.63 -1.26 -4.16 116.66 114.76 2onk n ARG 24 Ca 0.00 -2.66 0.00 0.00 -0.92 0.00 0.00 57.85 54.27 2onk n ARG 24 Cb 0.00 -1.48 0.00 0.00 0.45 0.00 0.00 32.46 31.43 2onk n ARG 24 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 2onk n ASP 25 N -1.32 0.00 -4.33 6.15 5.68 -1.26 -3.90 116.55 117.57 2onk n ASP 25 Ca 0.16 0.00 -0.46 0.00 -0.50 0.00 0.00 54.79 53.99 2onk n ASP 25 Cb 0.66 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.60 2onk n ASP 25 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 2onk s TYR 26 N 2.75 3.52 0.45 2.11 6.04 -1.26 -0.40 117.35 130.55 2onk s TYR 26 Ca 0.00 -1.67 -0.04 0.00 0.04 0.00 0.00 57.07 55.39 2onk s TYR 26 Cb 0.00 -3.85 -0.04 0.00 -1.04 0.00 0.00 41.96 37.04 2onk s TYR 26 CO 0.00 -1.04 0.74 0.00 -1.54 0.00 0.00 175.55 173.71 2onk s VAL 28 N -2.64 -0.73 -0.22 0.00 1.01 -1.10 -2.18 120.40 114.55 2onk s VAL 28 Ca 0.46 0.05 -0.08 0.00 0.00 0.00 0.00 61.98 62.41 2onk s VAL 28 Cb -0.10 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 2onk s VAL 28 CO 0.42 -0.01 0.08 -1.48 0.00 0.00 0.00 175.10 174.11 2onk s LEU 29 N 2.66 3.68 0.26 3.92 2.34 -0.42 -1.81 118.68 129.32 2onk s LEU 29 Ca 0.06 -0.05 -0.15 0.00 0.06 0.00 0.00 54.13 54.05 2onk s LEU 29 Cb -0.14 -1.96 -0.08 0.00 -0.56 0.00 0.00 46.19 43.45 2onk s LEU 29 CO -0.16 0.07 0.68 -0.76 -1.06 0.00 0.00 176.35 175.12 2onk s LEU 30 N 1.01 4.19 0.00 1.48 1.43 -0.20 -2.41 118.68 124.17 2onk s LEU 30 Ca 0.04 1.24 0.00 0.00 -1.03 0.00 0.00 54.13 54.38 2onk s LEU 30 Cb -0.14 -3.79 0.00 0.00 0.03 0.00 0.00 46.19 42.29 2onk s LEU 30 CO 0.03 -0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.14 2onk n GLY 31 N 0.10 1.39 3.40 -3.19 0.00 -0.68 -0.09 105.19 106.12 2onk n GLY 31 Ca 0.00 0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 2onk n GLY 31 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2onk s PRO 32 N -0.98 -1.91 0.14 1.61 0.02 -1.26 -3.86 135.00 128.76 2onk s PRO 32 Ca 0.00 0.51 -0.31 0.00 0.02 0.00 0.00 61.00 61.23 2onk s PRO 32 Cb 0.00 -1.46 -0.08 0.00 0.02 0.00 0.00 34.50 32.98 2onk s PRO 32 CO 0.00 -4.30 1.32 0.99 -0.33 0.00 0.00 177.00 174.68 2onk s THR 33 N -2.37 3.37 0.00 0.99 2.01 -1.26 -2.85 115.64 115.53 2onk s THR 33 Ca 0.69 1.05 0.00 0.00 0.31 0.00 0.00 61.69 63.73 2onk s THR 33 Cb -0.20 -3.67 0.00 0.00 0.01 0.00 0.00 72.50 68.64 2onk s THR 33 CO 0.62 0.12 0.00 0.61 -0.69 0.00 0.00 174.62 175.28 2onk n GLY 34 N 2.94 0.93 0.02 4.40 0.00 -1.26 -4.96 105.19 107.26 2onk n GLY 34 Ca 0.09 -0.57 0.11 0.00 0.00 0.00 0.00 46.02 45.65 2onk n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2onk n ALA 35 N -0.86 3.69 0.00 4.61 0.00 -1.13 -4.60 120.51 122.21 2onk n ALA 35 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.99 2onk n ALA 35 Cb 0.26 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.77 2onk n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2onk n GLY 36 N 1.41 1.07 0.17 0.00 0.00 -1.26 0.11 105.19 106.68 2onk n GLY 36 Ca 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.99 2onk n GLY 36 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2onk h LYS 37 N 2.80 0.24 -0.60 1.61 1.57 -1.92 -0.54 116.57 119.73 2onk h LYS 37 Ca 0.00 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.67 2onk h LYS 37 Cb 0.00 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 2onk h LYS 37 CO 0.00 0.16 0.01 0.77 -0.57 0.00 0.00 179.45 179.82 2onk h SER 38 N 0.24 1.01 -0.34 0.86 0.02 -1.99 -1.98 113.55 111.38 2onk h SER 38 Ca 0.19 -0.28 -0.17 0.00 -0.84 0.00 0.00 61.79 60.69 2onk h SER 38 Cb 0.21 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.47 2onk h SER 38 CO -0.23 1.06 -0.44 -0.37 -1.14 0.00 0.00 176.83 175.71 2onk h VAL 39 N 0.95 1.27 -0.52 2.27 -1.51 -1.95 -1.85 116.25 114.91 2onk h VAL 39 Ca 0.17 -1.61 0.11 0.00 -1.23 0.00 0.00 66.70 64.13 2onk h VAL 39 Cb 0.54 1.46 -0.10 0.00 -2.13 0.00 0.00 31.29 31.05 2onk h VAL 39 CO 0.03 0.54 -0.15 0.15 -1.23 0.00 0.00 177.57 176.90 2onk h PHE 40 N 0.73 -0.34 -0.62 5.19 3.57 -0.83 0.31 116.94 124.95 2onk h PHE 40 Ca 0.05 0.05 -0.07 0.00 3.53 0.00 0.00 57.97 61.53 2onk h PHE 40 Cb 1.03 0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.98 2onk h PHE 40 CO 0.07 -0.24 0.12 -0.07 -2.23 0.00 0.00 178.31 175.95 2onk h LEU 41 N -0.02 0.93 -1.68 0.59 3.38 -1.18 -1.77 115.31 115.56 2onk h LEU 41 Ca 0.25 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 2onk h LEU 41 Cb 0.41 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2onk h LEU 41 CO -0.55 0.92 -0.18 -0.33 0.09 0.00 0.00 178.44 178.39 2onk h GLU 42 N 0.93 0.00 0.39 1.13 5.08 -0.15 0.44 114.58 122.41 2onk h GLU 42 Ca 0.19 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.53 2onk h GLU 42 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2onk h GLU 42 CO 0.01 0.18 -0.19 1.25 -1.00 0.00 0.00 179.01 179.26 2onk h LEU 43 N 0.00 -0.44 -0.17 1.33 6.46 0.33 0.31 115.31 123.13 2onk h LEU 43 Ca -0.00 -0.12 0.05 0.00 -0.12 0.00 0.00 57.88 57.68 2onk h LEU 43 Cb 0.45 0.11 -0.05 0.00 -0.73 0.00 0.00 40.66 40.44 2onk h LEU 43 CO 0.02 -0.02 -0.15 0.40 -0.62 0.00 0.00 178.44 178.08 2onk h ILE 44 N -0.98 0.59 -1.01 4.05 1.08 -1.04 -1.20 117.51 119.00 2onk h ILE 44 Ca -0.05 0.00 0.25 0.00 -0.39 0.00 0.00 64.86 64.67 2onk h ILE 44 Cb 0.54 0.59 -0.08 0.00 -3.07 0.00 0.00 36.82 34.79 2onk h ILE 44 CO 0.09 0.00 0.66 0.00 -0.69 0.00 0.00 178.15 178.20 2onk h ALA 45 N 0.94 2.25 -0.12 1.87 0.00 -0.08 -3.46 119.26 120.66 2onk h ALA 45 Ca 0.11 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2onk h ALA 45 Cb 0.32 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2onk h ALA 45 CO -0.27 -0.61 0.00 0.41 0.00 0.00 0.00 179.25 178.77 2onk n GLY 46 N -1.50 1.17 0.58 0.00 0.00 0.06 -4.35 105.19 101.16 2onk n GLY 46 Ca 0.23 -0.39 0.07 0.00 0.00 0.00 0.00 46.02 45.93 2onk n GLY 46 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2onk n ILE 47 N -2.08 0.08 -3.62 -0.61 5.41 0.86 -3.09 119.36 116.31 2onk n ILE 47 Ca 0.00 -0.54 -0.04 0.00 1.00 0.00 0.00 62.75 63.17 2onk n ILE 47 Cb 0.23 1.23 -0.06 0.00 -0.71 0.00 0.00 39.64 40.33 2onk n ILE 47 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2onk s VAL 48 N -1.15 -0.86 -0.13 1.39 1.01 -1.18 -4.98 120.40 114.49 2onk s VAL 48 Ca 0.17 0.06 -0.29 0.00 0.00 0.00 0.00 61.98 61.92 2onk s VAL 48 Cb 0.12 -0.87 -0.01 0.00 0.00 0.00 0.00 36.38 35.62 2onk s VAL 48 CO 0.18 0.02 1.06 -0.54 0.00 0.00 0.00 175.10 175.82 2onk s LYS 49 N 2.79 4.36 0.81 2.72 1.02 -1.26 -4.45 119.74 125.71 2onk s LYS 49 Ca -0.03 1.45 -0.14 0.00 0.02 0.00 0.00 55.97 57.27 2onk s LYS 49 Cb -0.12 -3.58 0.06 0.00 -0.52 0.00 0.00 37.83 33.66 2onk s LYS 49 CO -0.17 -0.44 1.02 -0.35 -0.92 0.00 0.00 175.35 174.49 2onk n PRO 50 N 5.48 0.17 -0.00 -1.68 -0.04 -1.26 -4.93 135.00 132.73 2onk n PRO 50 Ca 0.10 0.13 0.10 0.00 -0.04 0.00 0.00 63.50 63.79 2onk n PRO 50 Cb 0.47 -2.29 -0.13 0.00 -0.04 0.00 0.00 33.50 31.51 2onk n PRO 50 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2onk n ASP 51 N -2.60 0.66 -3.58 3.54 8.00 -0.76 -4.87 116.55 116.93 2onk n ASP 51 Ca 0.12 -0.49 -0.09 0.00 0.71 0.00 0.00 54.79 55.04 2onk n ASP 51 Cb 0.51 1.45 -0.09 0.00 -0.02 0.00 0.00 41.12 42.96 2onk n ASP 51 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2onk s ARG 52 N -3.12 0.31 0.00 -1.24 0.52 -1.16 -5.00 118.95 109.26 2onk s ARG 52 Ca 0.00 0.89 0.00 0.00 -0.52 0.00 0.00 55.73 56.10 2onk s ARG 52 Cb 0.14 0.10 0.00 0.00 0.52 0.00 0.00 34.95 35.71 2onk s ARG 52 CO 0.82 -0.35 0.00 0.41 0.02 0.00 0.00 175.30 176.20 2onk n GLY 53 N 5.38 -3.65 0.00 -3.53 0.00 -1.26 -0.04 105.19 102.09 2onk n GLY 53 Ca -0.07 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.82 2onk n GLY 53 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2onk n GLU 54 N -0.08 0.43 -3.76 1.61 1.02 -0.92 -4.85 120.64 114.09 2onk n GLU 54 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 2onk n GLU 54 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.31 2onk n GLU 54 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2onk s VAL 55 N -0.85 -0.01 -0.08 2.62 1.01 -1.26 -3.06 120.40 118.77 2onk s VAL 55 Ca 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 61.98 62.00 2onk s VAL 55 Cb 0.00 -0.44 0.02 0.00 0.00 0.00 0.00 36.38 35.96 2onk s VAL 55 CO 0.00 0.01 -0.05 -0.13 0.00 0.00 0.00 175.10 174.92 2onk s ARG 56 N 0.36 1.16 -0.20 2.72 0.52 -0.04 -1.59 118.95 121.87 2onk s ARG 56 Ca -0.02 -0.14 -0.01 0.00 -0.52 0.00 0.00 55.73 55.05 2onk s ARG 56 Cb -0.03 -1.25 0.01 0.00 0.52 0.00 0.00 34.95 34.20 2onk s ARG 56 CO -0.01 -0.20 -0.15 -1.17 0.02 0.00 0.00 175.30 173.79 2onk s LEU 57 N 1.50 2.43 -0.39 2.53 2.96 -1.19 -0.76 118.68 125.76 2onk s LEU 57 Ca -0.01 -0.60 0.00 0.00 -0.22 0.00 0.00 54.13 53.31 2onk s LEU 57 Cb -0.13 -1.57 0.00 0.00 0.50 0.00 0.00 46.19 44.99 2onk s LEU 57 CO -0.04 -0.01 0.00 0.59 -1.32 0.00 0.00 176.35 175.56 2onk n ASN 58 N 4.67 -3.10 -0.13 3.68 5.03 -1.00 -3.24 115.26 121.16 2onk n ASN 58 Ca -0.20 0.07 -0.02 0.00 0.87 0.00 0.00 54.58 55.31 2onk n ASN 58 Cb 0.50 -1.31 -0.01 0.00 -1.02 0.00 0.00 39.78 37.94 2onk n ASN 58 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2onk n GLY 59 N -2.17 0.48 3.07 7.41 0.00 -1.26 -5.00 105.19 107.72 2onk n GLY 59 Ca -0.04 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 2onk n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2onk s ALA 60 N -1.81 1.82 0.74 4.61 0.00 -1.20 -5.10 121.76 120.82 2onk s ALA 60 Ca 0.00 -0.82 -0.17 0.00 0.00 0.00 0.00 51.96 50.97 2onk s ALA 60 Cb 0.00 -0.89 -0.10 0.00 0.00 0.00 0.00 23.12 22.13 2onk s ALA 60 CO 0.00 -0.11 -0.05 -3.47 0.00 0.00 0.00 175.76 172.13 2onk n ASP 61 N 4.26 -3.35 0.00 0.00 -0.08 -1.26 -3.14 116.55 112.98 2onk n ASP 61 Ca -0.19 0.48 0.00 0.00 -1.51 0.00 0.00 54.79 53.58 2onk n ASP 61 Cb 0.51 -0.98 0.00 0.00 2.34 0.00 0.00 41.12 42.99 2onk n ASP 61 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 2onk n ILE 62 N -2.21 0.00 -0.12 5.18 5.41 -0.62 -4.83 119.36 122.17 2onk n ILE 62 Ca 0.06 0.00 0.01 0.00 1.00 0.00 0.00 62.75 63.82 2onk n ILE 62 Cb 0.51 -0.09 0.04 0.00 -0.71 0.00 0.00 39.64 39.39 2onk n ILE 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 2onk n THR 63 N -0.72 -0.14 0.29 1.39 -1.04 -1.25 -0.72 114.28 112.10 2onk n THR 63 Ca 0.00 0.73 -0.17 0.00 -2.04 0.00 0.00 64.05 62.57 2onk n THR 63 Cb 0.04 -1.00 -0.08 0.00 -1.82 0.00 0.00 70.33 67.47 2onk n THR 63 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 2onk h PRO 64 N 0.00 -0.80 -4.01 -2.82 0.13 -1.95 -3.46 132.00 119.09 2onk h PRO 64 Ca 0.14 0.05 -0.37 0.00 -0.87 0.00 0.00 66.00 64.96 2onk h PRO 64 Cb 0.22 0.18 0.16 0.00 0.13 0.00 0.00 31.00 31.69 2onk h PRO 64 CO -0.32 -0.53 -1.18 1.28 -0.23 0.00 0.00 178.00 177.01 2onk n LEU 65 N -5.48 -3.83 -4.93 1.56 4.77 0.11 -4.98 117.00 104.21 2onk n LEU 65 Ca -0.11 0.16 -0.28 0.00 -0.03 0.00 0.00 56.01 55.75 2onk n LEU 65 Cb 0.38 -0.52 -0.03 0.00 -2.33 0.00 0.00 43.42 40.92 2onk n LEU 65 CO 0.32 -3.94 -0.05 -2.84 -1.33 0.00 0.00 177.39 169.55 2onk s PRO 66 N -1.25 3.48 0.00 3.23 0.02 -1.26 -4.94 135.00 134.28 2onk s PRO 66 Ca 0.28 -0.44 0.00 0.00 0.02 0.00 0.00 61.00 60.86 2onk s PRO 66 Cb -0.15 -2.92 0.00 0.00 0.02 0.00 0.00 34.50 31.45 2onk s PRO 66 CO 0.54 0.49 0.51 -0.35 -0.33 0.00 0.00 177.00 177.86 2onk n PRO 67 N -0.40 0.00 -0.09 5.54 -0.04 -1.18 -0.33 135.00 138.51 2onk n PRO 67 Ca -0.05 0.13 -0.13 0.00 -0.04 0.00 0.00 63.50 63.40 2onk n PRO 67 Cb 0.53 -1.58 -0.14 0.00 -0.04 0.00 0.00 33.50 32.26 2onk n PRO 67 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2onk n GLU 68 N -1.01 0.68 0.00 0.54 0.28 -1.26 -4.38 120.64 115.48 2onk n GLU 68 Ca 0.00 0.11 0.13 0.00 -0.16 0.00 0.00 57.16 57.23 2onk n GLU 68 Cb 0.08 -1.58 0.31 0.00 1.43 0.00 0.00 31.44 31.69 2onk n GLU 68 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2onk n ARG 69 N -3.00 0.84 -2.74 3.44 1.74 0.55 -4.83 116.66 112.67 2onk n ARG 69 Ca -0.34 -0.54 -0.30 0.00 -0.77 0.00 0.00 57.85 55.91 2onk n ARG 69 Cb 1.09 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 31.01 2onk n ARG 69 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2onk s ARG 70 N -2.53 3.75 0.04 5.56 0.52 -1.08 -4.94 118.95 120.26 2onk s ARG 70 Ca 0.23 0.48 0.25 0.00 -0.52 0.00 0.00 55.73 56.17 2onk s ARG 70 Cb 0.19 -2.35 0.47 0.00 0.52 0.00 0.00 34.95 33.77 2onk s ARG 70 CO 0.54 -0.11 1.39 0.41 0.02 0.00 0.00 175.30 177.55 2onk n GLY 71 N -1.54 -1.30 3.49 -3.53 0.00 -1.26 -4.99 105.19 96.06 2onk n GLY 71 Ca 0.03 -0.31 -0.46 0.00 0.00 0.00 0.00 46.02 45.27 2onk n GLY 71 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2onk n ILE 72 N -1.69 1.99 -3.63 -0.61 5.41 -1.26 -3.46 119.36 116.10 2onk n ILE 72 Ca 0.05 -0.50 -0.39 0.00 1.00 0.00 0.00 62.75 62.91 2onk n ILE 72 Cb 0.37 -0.49 -0.11 0.00 -0.71 0.00 0.00 39.64 38.70 2onk n ILE 72 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 2onk s GLY 73 N -0.79 1.89 -0.06 7.39 0.00 -1.14 -4.93 107.32 109.68 2onk s GLY 73 Ca 0.61 -1.30 -0.02 0.00 0.00 0.00 0.00 44.72 44.01 2onk s GLY 73 CO 0.58 0.68 0.06 -0.12 0.00 0.00 0.00 173.10 174.30 2onk s PHE 74 N 1.66 3.29 -0.20 1.90 5.36 -1.26 -0.67 117.98 128.06 2onk s PHE 74 Ca 0.06 0.26 -0.04 0.00 -0.96 0.00 0.00 56.93 56.24 2onk s PHE 74 Cb -0.17 -1.79 0.10 0.00 -0.34 0.00 0.00 43.02 40.82 2onk s PHE 74 CO 0.08 0.55 0.24 0.08 -1.46 0.00 0.00 175.22 174.71 2onk s VAL 75 N -1.04 -0.37 0.13 3.12 1.01 -1.05 -4.94 120.40 117.27 2onk s VAL 75 Ca 0.17 -0.07 -0.19 0.00 0.00 0.00 0.00 61.98 61.89 2onk s VAL 75 Cb -0.12 -0.67 -0.07 0.00 0.00 0.00 0.00 36.38 35.52 2onk s VAL 75 CO 0.07 -0.16 0.63 -2.16 0.00 0.00 0.00 175.10 173.48 2onk s PRO 76 N 2.36 4.23 -0.17 2.72 0.04 -1.26 -3.05 135.00 139.87 2onk s PRO 76 Ca 0.07 0.78 -0.21 0.00 0.04 0.00 0.00 61.00 61.68 2onk s PRO 76 Cb -0.15 -3.12 -0.09 0.00 0.04 0.00 0.00 34.50 31.18 2onk s PRO 76 CO -0.12 0.55 0.68 0.94 0.04 0.00 0.00 177.00 179.09 2onk n GLN 77 N 1.34 0.00 -2.89 4.56 7.27 -1.23 -1.39 117.38 125.03 2onk n GLN 77 Ca -0.07 0.00 -0.10 0.00 0.07 0.00 0.00 57.00 56.90 2onk n GLN 77 Cb 0.51 -0.71 0.01 0.00 2.41 0.00 0.00 30.24 32.46 2onk n GLN 77 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 2onk n ASP 78 N 1.53 -7.80 -2.57 1.69 9.92 -1.26 -4.78 116.55 113.28 2onk n ASP 78 Ca 0.13 0.50 -0.26 0.00 -0.53 0.00 0.00 54.79 54.63 2onk n ASP 78 Cb -0.01 -5.16 -0.01 0.00 -0.64 0.00 0.00 41.12 35.31 2onk n ASP 78 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 2onk n TYR 79 N -0.29 -0.97 -1.96 1.24 4.02 -0.49 -4.85 117.16 113.87 2onk n TYR 79 Ca 0.11 0.43 -0.40 0.00 -0.01 0.00 0.00 57.90 58.02 2onk n TYR 79 Cb 0.47 -1.09 -0.01 0.00 -0.02 0.00 0.00 39.34 38.70 2onk n TYR 79 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2onk n ALA 80 N -0.43 6.75 -2.48 -0.72 0.00 -1.25 -4.96 120.51 117.42 2onk n ALA 80 Ca 0.08 -4.05 -0.42 0.00 0.00 0.00 0.00 53.44 49.05 2onk n ALA 80 Cb 0.21 -2.85 -0.03 0.00 0.00 0.00 0.00 19.45 16.78 2onk n ALA 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2onk s LEU 81 N -1.70 4.36 -0.42 0.00 1.43 -1.26 -4.91 118.68 116.17 2onk s LEU 81 Ca 0.54 1.92 -0.27 0.00 -1.03 0.00 0.00 54.13 55.30 2onk s LEU 81 Cb 0.18 -3.57 -0.05 0.00 0.03 0.00 0.00 46.19 42.77 2onk s LEU 81 CO -0.08 -0.45 2.23 -0.36 0.23 0.00 0.00 176.35 177.91 2onk s PHE 82 N 1.23 1.24 0.56 0.29 2.99 -1.26 -4.83 117.98 118.21 2onk s PHE 82 Ca 0.57 1.10 0.39 0.00 0.00 0.00 0.00 56.93 58.99 2onk s PHE 82 Cb -0.27 -3.79 2.09 0.00 0.00 0.00 0.00 43.02 41.05 2onk s PHE 82 CO 0.28 -2.97 2.28 -1.00 -0.00 0.00 0.00 175.22 173.81 2onk h PRO 83 N 17.13 0.00 -0.55 0.24 0.13 -2.00 -1.73 132.00 145.22 2onk h PRO 83 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2onk h PRO 83 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2onk h PRO 83 CO 1.10 0.01 0.00 -2.39 -0.23 0.00 0.00 178.00 176.49 2onk n HIS 84 N -3.29 0.80 -4.42 1.56 1.44 -1.26 -4.63 115.22 105.42 2onk n HIS 84 Ca -0.02 -0.37 -0.20 0.00 -2.01 0.00 0.00 57.72 55.12 2onk n HIS 84 Cb 0.12 -0.05 -0.14 0.00 0.12 0.00 0.00 29.99 30.04 2onk n HIS 84 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2onk s LEU 85 N -1.11 2.09 0.68 2.39 1.43 -0.65 -5.11 118.68 118.39 2onk s LEU 85 Ca 0.36 -0.32 -0.14 0.00 -1.03 0.00 0.00 54.13 52.99 2onk s LEU 85 Cb 0.20 -0.57 0.01 0.00 0.03 0.00 0.00 46.19 45.86 2onk s LEU 85 CO 0.22 0.08 1.11 -0.94 0.23 0.00 0.00 176.35 177.06 2onk s SER 86 N -0.67 4.97 0.24 2.29 1.04 -1.26 -4.16 113.70 116.15 2onk s SER 86 Ca 0.03 1.99 -0.13 0.00 0.48 0.00 0.00 55.95 58.32 2onk s SER 86 Cb -0.06 -2.55 0.31 0.00 0.10 0.00 0.00 66.02 63.82 2onk s SER 86 CO 0.00 -1.73 1.58 0.58 0.98 0.00 0.00 173.24 174.66 2onk h VAL 87 N -0.17 0.14 0.22 5.02 2.07 -0.82 0.39 116.25 123.10 2onk h VAL 87 Ca -0.46 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.06 2onk h VAL 87 Cb 1.25 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 2onk h VAL 87 CO 0.53 0.00 -0.41 0.22 0.02 0.00 0.00 177.57 177.93 2onk h TYR 88 N -0.02 -1.18 -0.24 1.57 3.20 -1.48 -0.02 116.97 118.80 2onk h TYR 88 Ca 0.37 0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.33 2onk h TYR 88 Cb 0.60 0.49 -0.01 0.00 1.54 0.00 0.00 36.73 39.35 2onk h TYR 88 CO -0.68 -0.50 0.20 0.00 -1.64 0.00 0.00 178.16 175.53 2onk h ARG 89 N -0.68 0.00 0.36 1.82 3.08 -1.40 0.26 114.38 117.81 2onk h ARG 89 Ca -0.02 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 2onk h ARG 89 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.69 2onk h ARG 89 CO -0.16 0.00 -0.17 -0.91 -1.07 0.00 0.00 179.97 177.66 2onk h ASN 90 N 0.00 -0.41 -0.77 7.04 2.35 0.48 -1.36 115.58 122.91 2onk h ASN 90 Ca 0.11 -0.15 0.03 0.00 -0.55 0.00 0.00 56.30 55.75 2onk h ASN 90 Cb 0.51 0.11 -0.05 0.00 0.05 0.00 0.00 38.32 38.94 2onk h ASN 90 CO -0.00 -0.04 0.49 0.40 -1.65 0.00 0.00 177.43 176.63 2onk h ILE 91 N -0.82 1.11 -0.22 2.81 2.04 0.33 -2.34 117.51 120.41 2onk h ILE 91 Ca -0.05 -0.32 -0.03 0.00 1.00 0.00 0.00 64.86 65.46 2onk h ILE 91 Cb 0.53 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 2onk h ILE 91 CO 0.08 0.17 0.02 0.00 0.00 0.00 0.00 178.15 178.42 2onk h ALA 92 N 1.33 1.62 -2.50 1.87 0.00 -0.51 -3.43 119.26 117.64 2onk h ALA 92 Ca 0.31 -0.12 -0.55 0.00 0.00 0.00 0.00 54.91 54.54 2onk h ALA 92 Cb 0.02 -0.10 0.06 0.00 0.00 0.00 0.00 17.79 17.77 2onk h ALA 92 CO -0.12 0.29 0.89 0.98 0.00 0.00 0.00 179.25 181.29 2onk n TYR 93 N -4.37 2.54 0.00 0.00 9.36 -0.52 -1.28 117.16 122.89 2onk n TYR 93 Ca 0.00 0.18 0.00 0.00 3.32 0.00 0.00 57.90 61.40 2onk n TYR 93 Cb 0.18 -2.60 0.00 0.00 -0.63 0.00 0.00 39.34 36.29 2onk n TYR 93 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2onk n GLY 94 N 3.42 0.66 0.00 2.98 0.00 -1.26 -4.91 105.19 106.07 2onk n GLY 94 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2onk n GLY 94 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2onk n LEU 95 N 0.00 1.70 0.08 0.99 4.77 -0.40 -4.68 117.00 119.46 2onk n LEU 95 Ca 0.00 -1.70 0.04 0.00 -0.03 0.00 0.00 56.01 54.32 2onk n LEU 95 Cb 0.00 0.00 0.22 0.00 -2.33 0.00 0.00 43.42 41.31 2onk n LEU 95 CO 0.00 0.42 0.66 -1.14 -1.33 0.00 0.00 177.39 176.00 2onk n ARG 96 N -0.40 0.05 -0.13 3.23 3.00 -1.26 0.10 116.66 121.26 2onk n ARG 96 Ca 0.00 0.47 0.10 0.00 -0.00 0.00 0.00 57.85 58.43 2onk n ARG 96 Cb 0.24 -1.86 0.30 0.00 0.00 0.00 0.00 32.46 31.15 2onk n ARG 96 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 2onk n ASN 97 N -1.74 2.28 -4.52 6.15 5.15 -1.26 -4.91 115.26 116.41 2onk n ASN 97 Ca -0.01 -1.83 -0.29 0.00 -0.60 0.00 0.00 54.58 51.85 2onk n ASN 97 Cb 0.20 -0.17 -0.11 0.00 -0.53 0.00 0.00 39.78 39.17 2onk n ASN 97 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2onk s VAL 98 N -1.66 3.01 0.59 3.44 1.01 0.28 -5.10 120.40 121.96 2onk s VAL 98 Ca 0.34 -1.50 -0.19 0.00 0.00 0.00 0.00 61.98 60.64 2onk s VAL 98 Cb 0.19 -2.41 -0.06 0.00 0.00 0.00 0.00 36.38 34.10 2onk s VAL 98 CO 0.27 0.06 0.86 1.21 0.00 0.00 0.00 175.10 177.50 2onk n GLU 99 N 0.62 0.82 0.00 2.72 0.00 -1.26 -4.72 120.64 118.82 2onk n GLU 99 Ca -0.14 0.32 0.00 0.00 0.00 0.00 0.00 57.16 57.34 2onk n GLU 99 Cb 0.53 -2.05 0.00 0.00 0.00 0.00 0.00 31.44 29.92 2onk n GLU 99 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 2onk n ARG 100 N -0.74 0.00 -0.25 5.31 0.63 -1.26 -0.46 116.66 119.89 2onk n ARG 100 Ca 0.13 0.63 0.12 0.00 -0.92 0.00 0.00 57.85 57.81 2onk n ARG 100 Cb 0.47 -1.49 0.39 0.00 0.45 0.00 0.00 32.46 32.28 2onk n ARG 100 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2onk h VAL 101 N 0.00 0.84 -0.49 5.15 2.07 -1.99 0.92 116.25 122.75 2onk h VAL 101 Ca 0.00 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 2onk h VAL 101 Cb 0.00 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 29.87 2onk h VAL 101 CO 0.00 0.12 0.20 -0.08 0.02 0.00 0.00 177.57 177.83 2onk h GLU 102 N 0.66 0.74 0.07 1.57 4.57 -1.91 -0.19 114.58 120.09 2onk h GLU 102 Ca 0.43 -0.13 0.01 0.00 -1.18 0.00 0.00 59.36 58.48 2onk h GLU 102 Cb 0.70 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.16 2onk h GLU 102 CO -0.19 0.66 -0.11 0.00 -1.18 0.00 0.00 179.01 178.19 2onk h ARG 103 N 0.66 -0.21 -0.86 1.92 3.08 0.16 -0.08 114.38 119.04 2onk h ARG 103 Ca 0.16 0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.30 2onk h ARG 103 Cb 0.19 0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.23 2onk h ARG 103 CO -0.01 -0.14 0.56 0.22 -1.07 0.00 0.00 179.97 179.52 2onk h ASP 104 N -0.22 0.82 0.25 7.04 1.82 -0.90 0.15 116.42 125.38 2onk h ASP 104 Ca 0.02 0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.65 2onk h ASP 104 Cb 0.23 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 40.08 2onk h ASP 104 CO -0.05 0.51 -0.12 -0.09 -1.61 0.00 0.00 179.24 177.88 2onk h ARG 105 N 0.92 -0.33 -0.95 0.28 2.43 -0.30 -1.56 114.38 114.87 2onk h ARG 105 Ca 0.38 0.02 0.29 0.00 -0.81 0.00 0.00 59.98 59.86 2onk h ARG 105 Cb 0.28 0.07 -0.15 0.00 -0.42 0.00 0.00 29.97 29.75 2onk h ARG 105 CO -0.15 -0.22 0.41 0.00 -1.51 0.00 0.00 179.97 178.51 2onk h ARG 106 N -0.34 0.24 0.68 0.20 3.08 -0.63 0.35 114.38 117.97 2onk h ARG 106 Ca -0.03 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 2onk h ARG 106 Cb 0.26 -0.05 0.01 0.00 0.08 0.00 0.00 29.97 30.26 2onk h ARG 106 CO 0.06 0.16 -0.33 0.28 -1.07 0.00 0.00 179.97 179.07 2onk h VAL 107 N 0.25 0.00 -0.28 2.04 2.07 -0.62 -1.50 116.25 118.21 2onk h VAL 107 Ca 0.66 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 68.13 2onk h VAL 107 Cb 1.46 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 2onk h VAL 107 CO -0.65 0.00 0.19 0.03 0.02 0.00 0.00 177.57 177.16 2onk h ARG 108 N -0.97 0.36 -0.14 1.57 3.08 -0.46 0.26 114.38 118.07 2onk h ARG 108 Ca -0.09 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 59.96 2onk h ARG 108 Cb 0.70 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 2onk h ARG 108 CO 0.15 0.24 0.00 1.49 -1.07 0.00 0.00 179.97 180.78 2onk h GLU 109 N 0.37 0.05 -0.00 0.04 4.81 -0.23 -0.45 114.58 119.16 2onk h GLU 109 Ca 0.10 -0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.18 2onk h GLU 109 Cb -0.02 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 2onk h GLU 109 CO -0.02 0.03 -0.71 0.52 -0.73 0.00 0.00 179.01 178.09 2onk h MET 110 N 0.05 0.01 -0.06 1.92 2.86 -0.27 -1.21 114.93 118.23 2onk h MET 110 Ca 0.07 -0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.64 2onk h MET 110 Cb 0.08 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 2onk h MET 110 CO -0.11 0.72 -0.20 0.00 1.06 0.00 0.00 176.91 178.38 2onk h ALA 111 N 1.28 1.55 0.17 6.32 0.00 0.01 -2.34 119.26 126.25 2onk h ALA 111 Ca -0.01 -0.22 -0.30 0.00 0.00 0.00 0.00 54.91 54.38 2onk h ALA 111 Cb 1.26 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.01 2onk h ALA 111 CO 0.09 0.33 -1.48 1.49 0.00 0.00 0.00 179.25 179.68 2onk h GLU 112 N 0.10 0.35 0.00 0.00 4.81 -0.92 0.99 114.58 119.90 2onk h GLU 112 Ca 0.02 -0.60 0.00 0.00 -0.13 0.00 0.00 59.36 58.64 2onk h GLU 112 Cb 0.41 0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.02 2onk h GLU 112 CO 0.03 1.29 0.00 1.63 -0.73 0.00 0.00 179.01 181.23 2onk n LYS 113 N -3.80 0.01 0.00 1.92 5.02 -0.47 -1.40 118.16 119.44 2onk n LYS 113 Ca -0.22 0.34 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 2onk n LYS 113 Cb 0.99 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.50 2onk n LYS 113 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2onk n LEU 114 N -1.35 1.07 -3.49 -0.35 4.77 -0.91 -5.04 117.00 111.70 2onk n LEU 114 Ca 0.00 -1.07 -0.19 0.00 -0.03 0.00 0.00 56.01 54.72 2onk n LEU 114 Cb 0.01 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.16 2onk n LEU 114 CO 0.01 0.27 0.02 0.61 -1.33 0.00 0.00 177.39 176.96 2onk n GLY 115 N -0.25 -0.62 0.00 -0.72 0.00 -0.49 -4.90 105.19 98.21 2onk n GLY 115 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.30 2onk n GLY 115 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2onk n ILE 116 N -3.93 0.00 0.00 -0.61 -5.35 0.17 -4.86 119.36 104.78 2onk n ILE 116 Ca -0.21 -0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.26 2onk n ILE 116 Cb 0.65 1.67 0.00 0.00 -1.74 0.00 0.00 39.64 40.22 2onk n ILE 116 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2onk n ALA 117 N -0.00 0.51 0.03 -1.28 0.00 -0.23 0.11 120.51 119.64 2onk n ALA 117 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 2onk n ALA 117 Cb 0.17 -0.48 -0.11 0.00 0.00 0.00 0.00 19.45 19.03 2onk n ALA 117 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 2onk n HIS 118 N -1.18 0.34 1.43 0.00 1.44 -1.26 -4.02 115.22 111.96 2onk n HIS 118 Ca 0.00 0.10 0.14 0.00 -2.01 0.00 0.00 57.72 55.95 2onk n HIS 118 Cb 0.23 -0.67 0.47 0.00 0.12 0.00 0.00 29.99 30.14 2onk n HIS 118 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2onk n LEU 119 N -2.42 1.67 -0.42 2.39 4.77 0.29 -4.47 117.00 118.81 2onk n LEU 119 Ca -0.03 -0.55 0.39 0.00 -0.03 0.00 0.00 56.01 55.78 2onk n LEU 119 Cb 0.58 -0.00 0.62 0.00 -2.33 0.00 0.00 43.42 42.28 2onk n LEU 119 CO 0.44 0.28 1.36 -0.07 -1.33 0.00 0.00 177.39 178.07 2onk h LEU 120 N 2.60 0.00 0.00 2.23 3.38 -1.68 0.34 115.31 122.18 2onk h LEU 120 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 2onk h LEU 120 Cb 0.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2onk h LEU 120 CO 0.00 0.00 -2.00 0.47 0.09 0.00 0.00 178.44 177.00 2onk n ASP 121 N -3.58 0.08 -4.66 -0.43 8.00 -1.26 -1.38 116.55 113.33 2onk n ASP 121 Ca 0.32 0.03 -0.29 0.00 0.71 0.00 0.00 54.79 55.57 2onk n ASP 121 Cb 1.71 1.64 0.18 0.00 -0.02 0.00 0.00 41.12 44.64 2onk n ASP 121 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2onk s ARG 122 N -3.28 0.28 0.09 -1.24 0.52 0.11 -4.65 118.95 110.79 2onk s ARG 122 Ca -0.08 0.53 0.10 0.00 -0.52 0.00 0.00 55.73 55.76 2onk s ARG 122 Cb 0.12 -1.72 -0.04 0.00 0.52 0.00 0.00 34.95 33.83 2onk s ARG 122 CO 0.88 -2.83 -0.24 0.15 0.02 0.00 0.00 175.30 173.28 2onk s LYS 123 N -4.93 1.68 0.00 3.54 1.02 -1.26 -0.42 119.74 119.37 2onk s LYS 123 Ca 0.66 -1.20 0.00 0.00 0.02 0.00 0.00 55.97 55.44 2onk s LYS 123 Cb -0.19 -2.01 0.00 0.00 -0.52 0.00 0.00 37.83 35.11 2onk s LYS 123 CO 0.58 0.48 0.00 -0.35 -0.92 0.00 0.00 175.35 175.15 2onk n PRO 124 N 1.18 0.00 -0.22 -1.68 -0.04 -1.26 -1.07 135.00 131.91 2onk n PRO 124 Ca -0.17 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.25 2onk n PRO 124 Cb 0.53 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.05 2onk n PRO 124 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2onk h ALA 125 N 0.00 0.82 0.00 0.55 0.00 -1.96 -1.63 119.26 117.05 2onk h ALA 125 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2onk h ALA 125 Cb 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2onk h ALA 125 CO 0.00 0.15 0.00 0.54 0.00 0.00 0.00 179.25 179.94 2onk n ARG 126 N -4.71 0.00 -3.13 0.00 1.74 -0.23 -4.73 116.66 105.61 2onk n ARG 126 Ca 0.06 0.43 -0.36 0.00 -0.77 0.00 0.00 57.85 57.21 2onk n ARG 126 Cb 0.08 -1.51 -0.06 0.00 -1.02 0.00 0.00 32.46 29.95 2onk n ARG 126 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2onk s LEU 127 N -3.04 4.33 0.60 0.55 1.43 -0.61 -5.03 118.68 116.90 2onk s LEU 127 Ca 0.02 1.37 -0.08 0.00 -1.03 0.00 0.00 54.13 54.41 2onk s LEU 127 Cb 0.03 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.66 2onk s LEU 127 CO 0.08 0.03 0.95 -0.94 0.23 0.00 0.00 176.35 176.69 2onk s SER 128 N -1.69 5.88 0.18 2.29 1.04 -1.26 -4.81 113.70 115.33 2onk s SER 128 Ca 0.43 1.03 -0.24 0.00 0.48 0.00 0.00 55.95 57.65 2onk s SER 128 Cb -0.16 -2.07 0.08 0.00 0.10 0.00 0.00 66.02 63.96 2onk s SER 128 CO 0.21 -0.96 1.57 1.23 0.98 0.00 0.00 173.24 176.26 2onk h GLY 129 N -0.22 -0.34 0.62 7.32 0.00 -1.97 0.13 103.07 108.61 2onk h GLY 129 Ca -0.45 0.55 0.08 0.00 0.00 0.00 0.00 47.33 47.51 2onk h GLY 129 CO 0.62 -0.16 0.57 -1.33 0.00 0.00 0.00 176.54 176.24 2onk h GLY 130 N -0.17 1.44 1.17 4.60 0.00 -2.00 -1.84 103.07 106.27 2onk h GLY 130 Ca 0.21 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 2onk h GLY 130 CO -0.75 0.22 0.43 0.83 0.00 0.00 0.00 176.54 177.27 2onk h GLU 131 N 0.99 1.09 0.83 4.80 5.08 -1.16 -2.08 114.58 124.13 2onk h GLU 131 Ca 0.43 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.62 2onk h GLU 131 Cb 0.29 -0.22 0.01 0.00 0.50 0.00 0.00 28.75 29.34 2onk h GLU 131 CO -0.21 0.80 -0.40 0.00 -1.00 0.00 0.00 179.01 178.20 2onk h ARG 132 N 1.10 -1.07 -0.95 2.33 3.08 -0.33 -1.19 114.38 117.35 2onk h ARG 132 Ca 0.28 0.07 0.29 0.00 0.07 0.00 0.00 59.98 60.69 2onk h ARG 132 Cb 0.03 0.24 -0.16 0.00 0.08 0.00 0.00 29.97 30.16 2onk h ARG 132 CO -0.04 -0.71 0.23 1.96 -1.07 0.00 0.00 179.97 180.33 2onk h GLN 133 N -1.13 0.10 0.27 0.04 4.20 -1.18 0.69 115.11 118.10 2onk h GLN 133 Ca -0.11 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 2onk h GLN 133 Cb 0.85 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.61 2onk h GLN 133 CO 0.19 0.06 -0.13 0.00 -0.67 0.00 0.00 178.83 178.28 2onk h ARG 134 N 0.10 -0.35 -0.64 1.46 3.08 -1.07 -0.95 114.38 116.01 2onk h ARG 134 Ca 0.63 0.02 0.11 0.00 0.07 0.00 0.00 59.98 60.81 2onk h ARG 134 Cb 1.39 0.08 -0.08 0.00 0.08 0.00 0.00 29.97 31.44 2onk h ARG 134 CO -0.78 -0.01 0.23 0.28 -1.07 0.00 0.00 179.97 178.62 2onk h VAL 135 N -0.75 0.73 0.12 2.04 2.07 0.21 0.79 116.25 121.47 2onk h VAL 135 Ca -0.04 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.36 2onk h VAL 135 Cb 0.50 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 30.52 2onk h VAL 135 CO 0.06 0.07 -0.53 0.00 0.02 0.00 0.00 177.57 177.19 2onk h ALA 136 N 1.45 -0.99 -0.18 1.67 0.00 0.38 0.60 119.26 122.19 2onk h ALA 136 Ca 0.33 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.16 2onk h ALA 136 Cb 0.44 0.90 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 2onk h ALA 136 CO -0.34 -1.13 -0.02 -0.07 0.00 0.00 0.00 179.25 177.69 2onk h LEU 137 N -0.76 -0.12 -0.38 0.00 3.38 -0.17 -1.41 115.31 115.86 2onk h LEU 137 Ca -0.01 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.06 2onk h LEU 137 Cb 0.76 0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.53 2onk h LEU 137 CO -0.29 -0.03 -0.51 0.00 0.09 0.00 0.00 178.44 177.70 2onk h ALA 138 N 1.17 -0.74 -0.30 1.53 0.00 0.11 0.70 119.26 121.73 2onk h ALA 138 Ca 0.09 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.05 2onk h ALA 138 Cb 0.12 1.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2onk h ALA 138 CO -0.16 -0.99 0.21 -0.09 0.00 0.00 0.00 179.25 178.22 2onk h ARG 139 N -0.36 0.17 0.00 0.00 2.43 -0.66 -1.96 114.38 114.01 2onk h ARG 139 Ca 0.07 -0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 59.07 2onk h ARG 139 Cb 0.54 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 2onk h ARG 139 CO -0.55 0.11 -0.76 0.00 -1.51 0.00 0.00 179.97 177.27 2onk h ALA 140 N 1.84 0.73 0.17 2.80 0.00 0.13 -3.37 119.26 121.56 2onk h ALA 140 Ca 0.13 -0.69 -0.35 0.00 0.00 0.00 0.00 54.91 54.00 2onk h ALA 140 Cb 0.31 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2onk h ALA 140 CO -0.02 0.95 -1.79 -0.07 0.00 0.00 0.00 179.25 178.31 2onk h LEU 141 N 0.00 0.56 -0.85 0.00 3.38 -0.22 -3.36 115.31 114.83 2onk h LEU 141 Ca -0.01 -0.91 0.00 0.00 0.09 0.00 0.00 57.88 57.05 2onk h LEU 141 Cb 1.36 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2onk h LEU 141 CO 0.10 1.78 0.32 0.52 0.09 0.00 0.00 178.44 181.24 2onk n VAL 142 N -3.56 0.59 1.44 1.22 0.31 -0.91 0.11 118.33 117.53 2onk n VAL 142 Ca -0.26 0.75 0.14 0.00 -0.01 0.00 0.00 64.34 64.96 2onk n VAL 142 Cb 1.07 -1.75 0.61 0.00 -0.91 0.00 0.00 33.84 32.86 2onk n VAL 142 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2onk n ILE 143 N -2.05 0.00 -3.46 2.52 5.41 -1.26 -4.93 119.36 115.59 2onk n ILE 143 Ca -0.01 -0.08 -0.22 0.00 1.00 0.00 0.00 62.75 63.44 2onk n ILE 143 Cb 0.34 -0.04 0.05 0.00 -0.71 0.00 0.00 39.64 39.28 2onk n ILE 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2onk n GLN 144 N -0.85 -1.66 -1.74 0.38 6.02 0.31 -4.87 117.38 114.97 2onk n GLN 144 Ca 0.15 0.71 -0.42 0.00 -0.01 0.00 0.00 57.00 57.43 2onk n GLN 144 Cb 0.28 -4.90 -0.02 0.00 1.02 0.00 0.00 30.24 26.62 2onk n GLN 144 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 2onk n PRO 145 N -3.58 2.69 0.01 -1.09 -0.04 -1.26 -4.92 135.00 126.80 2onk n PRO 145 Ca -0.08 0.95 -0.02 0.00 -0.04 0.00 0.00 63.50 64.31 2onk n PRO 145 Cb 0.60 -2.73 0.24 0.00 -0.04 0.00 0.00 33.50 31.57 2onk n PRO 145 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2onk h ARG 146 N 4.73 0.50 -4.87 0.54 3.08 -1.89 -3.46 114.38 113.01 2onk h ARG 146 Ca -0.47 -0.15 -0.47 0.00 0.07 0.00 0.00 59.98 58.96 2onk h ARG 146 Cb 1.23 -0.05 -0.13 0.00 0.08 0.00 0.00 29.97 31.10 2onk h ARG 146 CO 0.79 0.64 -0.47 -1.17 -1.07 0.00 0.00 179.97 178.69 2onk s LEU 147 N -8.84 1.73 -0.25 3.04 2.96 -1.26 -4.59 118.68 111.47 2onk s LEU 147 Ca -0.07 -1.76 -0.02 0.00 -0.22 0.00 0.00 54.13 52.06 2onk s LEU 147 Cb 0.14 0.62 0.13 0.00 0.50 0.00 0.00 46.19 47.58 2onk s LEU 147 CO 0.78 -1.08 0.34 -0.22 -1.32 0.00 0.00 176.35 174.84 2onk s LEU 148 N -3.37 -0.49 -0.04 -0.68 2.96 -0.95 -2.88 118.68 113.23 2onk s LEU 148 Ca 0.40 -0.06 -0.12 0.00 -0.22 0.00 0.00 54.13 54.13 2onk s LEU 148 Cb 0.02 0.88 -0.05 0.00 0.50 0.00 0.00 46.19 47.54 2onk s LEU 148 CO 0.28 -0.32 0.32 -0.76 -1.32 0.00 0.00 176.35 174.54 2onk s LEU 149 N 2.47 4.44 -0.00 -0.68 1.43 0.16 -0.14 118.68 126.36 2onk s LEU 149 Ca 0.11 0.79 -0.09 0.00 -1.03 0.00 0.00 54.13 53.90 2onk s LEU 149 Cb -0.15 -2.43 0.01 0.00 0.03 0.00 0.00 46.19 43.65 2onk s LEU 149 CO -0.19 0.35 0.19 -0.76 0.23 0.00 0.00 176.35 176.16 2onk s LEU 150 N -1.10 1.36 -0.12 1.79 1.43 -0.30 -2.52 118.68 119.22 2onk s LEU 150 Ca 0.21 -0.13 -0.06 0.00 -1.03 0.00 0.00 54.13 53.12 2onk s LEU 150 Cb -0.15 0.84 0.05 0.00 0.03 0.00 0.00 46.19 46.96 2onk s LEU 150 CO 0.11 -0.39 0.28 1.51 0.23 0.00 0.00 176.35 178.09 2onk s ASP 151 N -1.37 -0.32 -1.26 2.29 -4.77 -1.17 -1.00 116.67 109.08 2onk s ASP 151 Ca -0.14 0.60 -0.10 0.00 -3.30 0.00 0.00 52.55 49.61 2onk s ASP 151 Cb -0.07 0.50 0.08 0.00 -1.09 0.00 0.00 42.92 42.34 2onk s ASP 151 CO 0.02 -0.16 0.46 -0.62 0.70 0.00 0.00 175.17 175.57 2onk n GLU 152 N 4.11 -3.19 0.00 2.11 -0.58 0.12 -3.56 120.64 119.64 2onk n GLU 152 Ca -0.24 0.43 0.05 0.00 -0.42 0.00 0.00 57.16 56.98 2onk n GLU 152 Cb 0.54 -5.12 0.22 0.00 -0.57 0.00 0.00 31.44 26.51 2onk n GLU 152 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 2onk n PRO 153 N -3.67 0.09 -0.02 3.49 -0.04 -1.26 -2.00 135.00 131.58 2onk n PRO 153 Ca -0.01 0.24 0.02 0.00 -0.04 0.00 0.00 63.50 63.71 2onk n PRO 153 Cb 0.54 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.52 2onk n PRO 153 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2onk n LEU 154 N -1.36 1.74 -4.77 1.53 4.77 -1.26 -4.97 117.00 112.69 2onk n LEU 154 Ca 0.04 -1.46 -0.31 0.00 -0.03 0.00 0.00 56.01 54.25 2onk n LEU 154 Cb 0.09 -0.03 0.10 0.00 -2.33 0.00 0.00 43.42 41.24 2onk n LEU 154 CO 0.08 0.42 0.69 -0.94 -1.33 0.00 0.00 177.39 176.31 2onk s SER 155 N -0.61 4.39 -1.27 -1.43 1.04 -0.85 -3.74 113.70 111.24 2onk s SER 155 Ca 0.05 1.71 -0.02 0.00 0.48 0.00 0.00 55.95 58.18 2onk s SER 155 Cb 0.03 -2.43 0.01 0.00 0.10 0.00 0.00 66.02 63.73 2onk s SER 155 CO 0.04 -2.09 0.92 0.00 0.98 0.00 0.00 173.24 173.09 2onk n ALA 156 N -3.55 -1.90 -3.70 5.32 0.00 -1.26 -5.00 120.51 110.42 2onk n ALA 156 Ca 0.08 -0.03 -0.12 0.00 0.00 0.00 0.00 53.44 53.38 2onk n ALA 156 Cb 0.54 -2.70 -0.12 0.00 0.00 0.00 0.00 19.45 17.16 2onk n ALA 156 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2onk s VAL 157 N -3.46 -0.12 0.31 0.00 1.01 -1.25 -5.14 120.40 111.75 2onk s VAL 157 Ca 0.10 0.15 -0.29 0.00 0.00 0.00 0.00 61.98 61.93 2onk s VAL 157 Cb -0.05 -0.49 -0.12 0.00 0.00 0.00 0.00 36.38 35.72 2onk s VAL 157 CO 0.76 0.06 1.41 -0.67 0.00 0.00 0.00 175.10 176.66 2onk n ASP 158 N 4.45 3.08 -0.37 3.32 2.03 -1.26 -4.68 116.55 123.13 2onk n ASP 158 Ca -0.21 1.18 -0.04 0.00 0.52 0.00 0.00 54.79 56.24 2onk n ASP 158 Cb 0.53 -1.50 0.00 0.00 -0.72 0.00 0.00 41.12 39.43 2onk n ASP 158 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2onk h LEU 159 N 3.52 -1.58 -0.74 -2.67 3.38 -1.99 0.60 115.31 115.82 2onk h LEU 159 Ca -0.46 0.31 0.10 0.00 0.09 0.00 0.00 57.88 57.91 2onk h LEU 159 Cb 1.27 0.79 -0.12 0.00 0.09 0.00 0.00 40.66 42.68 2onk h LEU 159 CO 0.70 -0.28 -0.48 0.50 0.09 0.00 0.00 178.44 178.97 2onk h LYS 160 N -0.03 -0.14 -0.62 1.13 1.63 -2.02 -0.55 116.57 115.96 2onk h LYS 160 Ca 0.29 0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 60.08 2onk h LYS 160 Cb 0.55 0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.19 2onk h LYS 160 CO -0.94 -0.10 0.31 1.15 -3.45 0.00 0.00 179.45 176.42 2onk h THR 161 N -0.15 1.21 -0.40 1.00 2.02 -1.35 -3.22 112.91 112.03 2onk h THR 161 Ca 0.19 -0.59 0.04 0.00 0.77 0.00 0.00 66.41 66.82 2onk h THR 161 Cb 0.54 0.46 -0.07 0.00 -1.74 0.00 0.00 68.15 67.33 2onk h THR 161 CO -0.80 0.24 -0.44 0.50 0.37 0.00 0.00 175.52 175.40 2onk h LYS 162 N 0.86 -0.25 -0.76 6.66 3.64 0.67 -1.28 116.57 126.10 2onk h LYS 162 Ca 0.22 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.71 2onk h LYS 162 Cb 0.11 0.06 -0.12 0.00 -0.41 0.00 0.00 32.23 31.86 2onk h LYS 162 CO -0.03 -0.17 -0.48 0.78 -2.27 0.00 0.00 179.45 177.29 2onk h GLY 163 N -0.26 -0.49 0.37 5.01 0.00 -1.47 0.33 103.07 106.56 2onk h GLY 163 Ca 0.07 0.63 0.09 0.00 0.00 0.00 0.00 47.33 48.12 2onk h GLY 163 CO -0.51 -0.11 0.20 -0.39 0.00 0.00 0.00 176.54 175.73 2onk h VAL 164 N -0.14 0.76 -0.57 4.60 -1.51 -1.49 -1.62 116.25 116.28 2onk h VAL 164 Ca 0.20 -0.13 -0.00 0.00 -1.23 0.00 0.00 66.70 65.54 2onk h VAL 164 Cb 0.53 0.35 -0.03 0.00 -2.13 0.00 0.00 31.29 30.02 2onk h VAL 164 CO -0.81 0.07 0.35 -0.07 -1.23 0.00 0.00 177.57 175.88 2onk h LEU 165 N 0.37 0.68 -0.45 4.19 3.38 0.47 -2.35 115.31 121.60 2onk h LEU 165 Ca 0.30 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.25 2onk h LEU 165 Cb 0.37 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 2onk h LEU 165 CO -0.31 0.53 0.23 0.24 0.09 0.00 0.00 178.44 179.21 2onk h MET 166 N 0.77 0.44 -0.64 1.13 2.86 0.39 0.50 114.93 120.37 2onk h MET 166 Ca 0.21 -0.03 0.08 0.00 -2.06 0.00 0.00 59.70 57.90 2onk h MET 166 Cb -0.03 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.49 2onk h MET 166 CO -0.04 0.29 0.43 0.93 1.06 0.00 0.00 176.91 179.58 2onk h GLU 167 N 0.45 0.54 -0.27 1.72 5.08 -1.02 0.77 114.58 121.86 2onk h GLU 167 Ca 0.19 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.41 2onk h GLU 167 Cb 0.10 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2onk h GLU 167 CO -0.14 0.36 -0.29 0.93 -1.00 0.00 0.00 179.01 178.87 2onk h GLU 168 N 0.56 0.54 -0.01 2.33 5.08 -0.43 -1.59 114.58 121.07 2onk h GLU 168 Ca 0.29 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2onk h GLU 168 Cb 0.40 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 2onk h GLU 168 CO -0.09 0.78 -0.00 -0.07 -1.00 0.00 0.00 179.01 178.63 2onk h LEU 169 N 0.47 0.01 -0.24 1.33 3.38 0.37 0.14 115.31 120.76 2onk h LEU 169 Ca 0.06 -0.34 0.05 0.00 0.09 0.00 0.00 57.88 57.74 2onk h LEU 169 Cb 0.74 -0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.42 2onk h LEU 169 CO 0.06 0.34 -0.46 0.03 0.09 0.00 0.00 178.44 178.50 2onk h ARG 170 N -0.32 -0.44 -0.07 1.13 3.08 -1.08 0.10 114.38 116.78 2onk h ARG 170 Ca 0.00 0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.12 2onk h ARG 170 Cb 0.34 0.10 -0.06 0.00 0.08 0.00 0.00 29.97 30.43 2onk h ARG 170 CO 0.00 -0.29 -0.43 0.35 -1.07 0.00 0.00 179.97 178.53 2onk h PHE 171 N -0.46 -1.23 -0.97 3.04 3.57 -1.18 -0.10 116.94 119.60 2onk h PHE 171 Ca 0.08 0.04 0.20 0.00 3.53 0.00 0.00 57.97 61.83 2onk h PHE 171 Cb 0.63 0.55 -0.09 0.00 2.79 0.00 0.00 35.95 39.83 2onk h PHE 171 CO -0.57 -0.49 0.62 0.28 -2.23 0.00 0.00 178.31 175.91 2onk h VAL 172 N -0.54 0.68 -0.17 1.41 2.07 0.09 0.75 116.25 120.53 2onk h VAL 172 Ca 0.06 -0.21 -0.15 0.00 0.82 0.00 0.00 66.70 67.23 2onk h VAL 172 Cb 0.65 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2onk h VAL 172 CO -0.36 0.11 -0.46 -0.61 0.02 0.00 0.00 177.57 176.26 2onk h GLN 173 N 0.60 0.61 -0.24 1.57 4.15 0.50 -1.22 115.11 121.09 2onk h GLN 173 Ca 0.54 -0.43 -0.10 0.00 0.77 0.00 0.00 58.65 59.42 2onk h GLN 173 Cb 1.06 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.81 2onk h GLN 173 CO -0.29 1.05 -0.29 0.00 -1.93 0.00 0.00 178.83 177.37 2onk h ARG 174 N 0.28 0.48 -0.23 1.69 3.08 0.31 0.87 114.38 120.86 2onk h ARG 174 Ca -0.01 -0.19 -0.18 0.00 0.07 0.00 0.00 59.98 59.67 2onk h ARG 174 Cb 1.08 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.11 2onk h ARG 174 CO 0.10 0.72 -0.58 1.49 -1.07 0.00 0.00 179.97 180.64 2onk h GLU 175 N 0.42 0.73 -0.20 0.04 4.57 0.51 -3.29 114.58 117.36 2onk h GLU 175 Ca 0.06 -0.48 0.00 0.00 -1.18 0.00 0.00 59.36 57.76 2onk h GLU 175 Cb 0.72 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.37 2onk h GLU 175 CO 0.06 1.10 0.00 1.19 -1.18 0.00 0.00 179.01 180.18 2onk n PHE 176 N -3.97 0.25 -4.12 0.92 3.01 -0.47 -4.98 117.46 108.10 2onk n PHE 176 Ca -0.04 -0.23 -0.38 0.00 1.01 0.00 0.00 57.45 57.81 2onk n PHE 176 Cb 0.63 -0.01 -0.03 0.00 -0.01 0.00 0.00 39.48 40.07 2onk n PHE 176 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2onk n ASP 177 N 0.72 -1.94 -4.21 4.37 8.00 0.29 -4.90 116.55 118.90 2onk n ASP 177 Ca 0.10 -1.21 -0.35 0.00 0.71 0.00 0.00 54.79 54.04 2onk n ASP 177 Cb 0.39 -1.47 -0.14 0.00 -0.02 0.00 0.00 41.12 39.88 2onk n ASP 177 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2onk s VAL 178 N -3.90 3.06 0.58 2.53 1.01 -1.17 -5.07 120.40 117.44 2onk s VAL 178 Ca 0.28 -1.14 -0.19 0.00 0.00 0.00 0.00 61.98 60.93 2onk s VAL 178 Cb -0.16 -2.65 -0.06 0.00 0.00 0.00 0.00 36.38 33.51 2onk s VAL 178 CO 0.92 0.05 0.87 -0.81 0.00 0.00 0.00 175.10 176.13 2onk n PRO 179 N 4.68 0.86 -4.26 2.72 -0.04 -1.25 -4.81 135.00 132.89 2onk n PRO 179 Ca -0.15 0.33 -0.20 0.00 -0.04 0.00 0.00 63.50 63.44 2onk n PRO 179 Cb 0.45 -2.05 -0.16 0.00 -0.04 0.00 0.00 33.50 31.70 2onk n PRO 179 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2onk s ILE 180 N -1.53 0.64 -0.38 0.52 1.01 0.46 -2.23 121.20 119.68 2onk s ILE 180 Ca 0.73 -0.22 -0.05 0.00 0.00 0.00 0.00 60.65 61.11 2onk s ILE 180 Cb -0.44 -0.61 0.08 0.00 0.01 0.00 0.00 42.46 41.50 2onk s ILE 180 CO 0.50 0.23 0.16 -0.22 0.00 0.00 0.00 174.94 175.61 2onk s LEU 181 N 0.61 4.83 -0.22 2.97 2.96 0.80 -0.15 118.68 130.47 2onk s LEU 181 Ca -0.09 -1.63 -0.08 0.00 -0.22 0.00 0.00 54.13 52.11 2onk s LEU 181 Cb -0.12 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 2onk s LEU 181 CO 0.01 -0.46 0.10 -2.28 -1.32 0.00 0.00 176.35 172.40 2onk s HIS 182 N 1.27 3.22 -0.16 5.38 5.65 -0.93 -1.15 115.29 128.58 2onk s HIS 182 Ca 0.03 -0.00 -0.01 0.00 0.25 0.00 0.00 55.06 55.32 2onk s HIS 182 Cb -0.22 -2.19 -0.01 0.00 -1.18 0.00 0.00 32.58 28.99 2onk s HIS 182 CO -0.01 -0.01 -0.11 0.08 -0.65 0.00 0.00 174.74 174.03 2onk s VAL 183 N 0.94 3.06 0.37 0.89 1.01 -0.17 -1.29 120.40 125.21 2onk s VAL 183 Ca 0.05 -0.63 -0.06 0.00 0.00 0.00 0.00 61.98 61.34 2onk s VAL 183 Cb -0.14 -2.32 0.02 0.00 0.00 0.00 0.00 36.38 33.95 2onk s VAL 183 CO 0.03 0.49 0.59 -0.89 0.00 0.00 0.00 175.10 175.33 2onk s THR 184 N 0.79 0.00 0.00 3.92 2.01 -1.01 0.11 115.64 121.45 2onk s THR 184 Ca -0.04 -1.40 0.00 0.00 0.31 0.00 0.00 61.69 60.56 2onk s THR 184 Cb -0.15 -2.78 0.00 0.00 0.01 0.00 0.00 72.50 69.58 2onk s THR 184 CO 0.01 0.00 0.65 0.00 -0.69 0.00 0.00 174.62 174.59 2onk n HIS 185 N -0.58 0.00 -3.68 4.92 1.44 -1.25 -1.69 115.22 114.38 2onk n HIS 185 Ca -0.02 -0.18 -0.38 0.00 -2.01 0.00 0.00 57.72 55.13 2onk n HIS 185 Cb 0.61 -0.02 -0.12 0.00 0.12 0.00 0.00 29.99 30.58 2onk n HIS 185 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 2onk s ASP 186 N -0.36 5.50 0.12 4.39 2.15 -1.26 -4.78 116.67 122.43 2onk s ASP 186 Ca 0.00 -0.28 -0.25 0.00 0.43 0.00 0.00 52.55 52.46 2onk s ASP 186 Cb 0.00 -2.00 -0.06 0.00 -0.30 0.00 0.00 42.92 40.56 2onk s ASP 186 CO 0.00 -0.10 1.65 -0.07 -0.17 0.00 0.00 175.17 176.48 2onk h LEU 187 N 8.31 -0.63 -1.39 -1.34 3.38 -1.98 -2.13 115.31 119.53 2onk h LEU 187 Ca -0.35 0.09 0.48 0.00 0.09 0.00 0.00 57.88 58.18 2onk h LEU 187 Cb 1.17 0.26 -0.14 0.00 0.09 0.00 0.00 40.66 42.04 2onk h LEU 187 CO 0.59 -0.28 0.88 0.40 0.09 0.00 0.00 178.44 180.12 2onk h ILE 188 N -0.34 0.02 0.11 1.22 2.04 -1.98 0.82 117.51 119.39 2onk h ILE 188 Ca 0.06 -0.00 -0.27 0.00 1.00 0.00 0.00 64.86 65.65 2onk h ILE 188 Cb 0.42 0.00 0.03 0.00 -0.74 0.00 0.00 36.82 36.53 2onk h ILE 188 CO -0.19 0.00 -1.11 -0.33 0.00 0.00 0.00 178.15 176.53 2onk h GLU 189 N 0.01 0.56 0.61 2.37 5.08 -1.81 -2.02 114.58 119.38 2onk h GLU 189 Ca 0.88 -0.75 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 2onk h GLU 189 Cb 2.82 0.25 0.01 0.00 0.50 0.00 0.00 28.75 32.32 2onk h GLU 189 CO -0.47 1.33 -0.29 0.00 -1.00 0.00 0.00 179.01 178.58 2onk h ALA 190 N 0.26 -0.82 -0.71 3.43 0.00 0.63 -1.54 119.26 120.52 2onk h ALA 190 Ca -0.17 -0.18 0.13 0.00 0.00 0.00 0.00 54.91 54.68 2onk h ALA 190 Cb 1.80 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 19.86 2onk h ALA 190 CO 0.21 -0.95 0.47 0.00 0.00 0.00 0.00 179.25 178.98 2onk h ALA 191 N -0.44 2.04 0.00 0.00 0.00 -0.43 -1.70 119.26 118.73 2onk h ALA 191 Ca -0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2onk h ALA 191 Cb 0.63 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2onk h ALA 191 CO 0.14 -0.22 -0.62 0.52 0.00 0.00 0.00 179.25 179.07 2onk h MET 192 N 0.45 0.00 0.00 0.00 2.07 -1.09 -3.43 114.93 112.93 2onk h MET 192 Ca 0.34 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.97 2onk h MET 192 Cb 0.70 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.43 2onk h MET 192 CO -0.11 0.00 -0.76 1.28 1.07 0.00 0.00 176.91 178.39 2onk n LEU 193 N -2.72 2.24 -4.71 1.22 4.77 -0.60 -4.98 117.00 112.22 2onk n LEU 193 Ca 0.02 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.59 2onk n LEU 193 Cb 0.53 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.62 2onk n LEU 193 CO 0.37 0.37 0.94 0.00 -1.33 0.00 0.00 177.39 177.74 2onk n ALA 194 N -2.27 1.50 -0.04 -1.18 0.00 -0.67 -4.86 120.51 112.98 2onk n ALA 194 Ca 0.00 0.30 0.02 0.00 0.00 0.00 0.00 53.44 53.76 2onk n ALA 194 Cb 0.38 -2.29 -0.15 0.00 0.00 0.00 0.00 19.45 17.38 2onk n ALA 194 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2onk n ASP 195 N 0.36 0.41 -3.97 0.00 8.00 0.17 -4.93 116.55 116.59 2onk n ASP 195 Ca 0.05 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.46 2onk n ASP 195 Cb 0.39 1.53 -0.10 0.00 -0.02 0.00 0.00 41.12 42.92 2onk n ASP 195 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2onk s GLU 196 N -3.02 0.58 -0.03 -1.24 2.02 -1.24 -4.81 118.70 110.97 2onk s GLU 196 Ca -0.08 -0.86 -0.00 0.00 0.02 0.00 0.00 54.97 54.05 2onk s GLU 196 Cb 0.10 0.22 0.03 0.00 0.10 0.00 0.00 34.13 34.58 2onk s GLU 196 CO 0.81 -0.14 0.02 0.08 0.02 0.00 0.00 175.26 176.05 2onk s VAL 197 N -2.87 0.09 0.39 2.63 1.01 0.28 -2.70 120.40 119.23 2onk s VAL 197 Ca -0.03 0.16 0.08 0.00 0.00 0.00 0.00 61.98 62.19 2onk s VAL 197 Cb 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 36.38 36.16 2onk s VAL 197 CO -0.06 0.14 0.43 0.00 0.00 0.00 0.00 175.10 175.61 2onk s ALA 198 N 1.21 4.18 -0.20 5.51 0.00 -0.75 -0.88 121.76 130.83 2onk s ALA 198 Ca -0.07 -1.73 -0.04 0.00 0.00 0.00 0.00 51.96 50.12 2onk s ALA 198 Cb -0.13 -1.30 0.09 0.00 0.00 0.00 0.00 23.12 21.78 2onk s ALA 198 CO -0.02 -0.17 0.22 0.08 0.00 0.00 0.00 175.76 175.86 2onk s VAL 199 N -2.37 -0.33 -0.02 0.00 1.01 -0.38 -1.03 120.40 117.27 2onk s VAL 199 Ca 0.48 -0.11 -0.11 0.00 0.00 0.00 0.00 61.98 62.25 2onk s VAL 199 Cb -0.06 -0.68 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 2onk s VAL 199 CO 0.29 -0.20 0.31 -0.32 0.00 0.00 0.00 175.10 175.19 2onk s MET 200 N 2.33 3.72 -0.27 2.72 1.75 0.88 -1.45 119.30 128.98 2onk s MET 200 Ca 0.07 0.16 -0.01 0.00 -1.25 0.00 0.00 55.69 54.67 2onk s MET 200 Cb -0.16 -3.16 0.15 0.00 2.84 0.00 0.00 34.83 34.50 2onk s MET 200 CO -0.12 0.69 0.39 -0.51 -0.65 0.00 0.00 175.02 174.82 2onk s LEU 201 N -1.28 -0.69 -0.69 4.11 1.43 0.07 -4.23 118.68 117.40 2onk s LEU 201 Ca 0.23 -0.08 -0.01 0.00 -1.03 0.00 0.00 54.13 53.24 2onk s LEU 201 Cb -0.15 1.09 0.00 0.00 0.03 0.00 0.00 46.19 47.17 2onk s LEU 201 CO 0.12 -0.33 0.58 0.59 0.23 0.00 0.00 176.35 177.54 2onk n ASN 202 N 5.36 -2.56 0.00 2.29 3.02 -1.24 -3.18 115.26 118.96 2onk n ASN 202 Ca -0.02 -0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.20 2onk n ASN 202 Cb 0.50 -3.06 0.00 0.00 -0.61 0.00 0.00 39.78 36.60 2onk n ASN 202 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2onk n GLY 203 N -1.13 2.54 3.70 7.41 0.00 0.29 -4.76 105.19 113.24 2onk n GLY 203 Ca -0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 2onk n GLY 203 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2onk s ARG 204 N 0.00 3.37 -1.03 1.61 3.52 -1.19 -2.92 118.95 122.32 2onk s ARG 204 Ca 0.00 -0.35 -0.17 0.00 -0.13 0.00 0.00 55.73 55.09 2onk s ARG 204 Cb 0.00 -2.98 0.15 0.00 -1.56 0.00 0.00 34.95 30.55 2onk s ARG 204 CO 0.00 0.58 1.23 0.42 -0.81 0.00 0.00 175.30 176.71 2onk s ILE 205 N -0.50 4.86 0.13 4.11 1.01 -1.26 -0.75 121.20 128.79 2onk s ILE 205 Ca 0.10 -1.98 -0.32 0.00 0.00 0.00 0.00 60.65 58.45 2onk s ILE 205 Cb -0.12 -4.82 -0.11 0.00 0.01 0.00 0.00 42.46 37.42 2onk s ILE 205 CO 0.02 -1.54 1.53 0.58 0.00 0.00 0.00 174.94 175.54 2onk h VAL 206 N 5.39 0.00 -2.87 2.92 2.07 -1.58 -3.45 116.25 118.72 2onk h VAL 206 Ca 0.21 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.62 2onk h VAL 206 Cb 0.97 0.00 -0.21 0.00 -1.52 0.00 0.00 31.29 30.53 2onk h VAL 206 CO 1.15 0.00 -0.22 -1.61 0.02 0.00 0.00 177.57 176.90 2onk s GLU 207 N -5.57 0.66 0.16 1.57 2.02 -1.23 -5.01 118.70 111.30 2onk s GLU 207 Ca -0.14 0.01 0.07 0.00 0.02 0.00 0.00 54.97 54.93 2onk s GLU 207 Cb 0.08 0.30 -0.04 0.00 0.10 0.00 0.00 34.13 34.57 2onk s GLU 207 CO 0.60 -0.17 -0.14 0.21 0.02 0.00 0.00 175.26 175.78 2onk s LYS 208 N -0.98 1.15 0.00 1.61 2.20 -1.26 -1.25 119.74 121.21 2onk s LYS 208 Ca -0.10 -1.40 0.00 0.00 -0.36 0.00 0.00 55.97 54.11 2onk s LYS 208 Cb -0.04 -0.98 0.00 0.00 -1.51 0.00 0.00 37.83 35.30 2onk s LYS 208 CO 0.04 0.17 0.00 0.41 -0.36 0.00 0.00 175.35 175.61 2onk n GLY 209 N 0.11 -0.33 3.36 5.54 0.00 -0.06 -4.96 105.19 108.85 2onk n GLY 209 Ca -0.12 -0.45 -0.30 0.00 0.00 0.00 0.00 46.02 45.14 2onk n GLY 209 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2onk s LYS 210 N -1.13 1.89 0.14 1.61 1.02 -1.26 0.10 119.74 122.11 2onk s LYS 210 Ca 0.00 -1.06 -0.30 0.00 0.02 0.00 0.00 55.97 54.63 2onk s LYS 210 Cb 0.00 -2.03 -0.09 0.00 -0.52 0.00 0.00 37.83 35.20 2onk s LYS 210 CO 0.00 0.52 1.51 -0.07 -0.92 0.00 0.00 175.35 176.40 2onk h LEU 211 N 4.86 -1.89 -0.76 3.17 3.38 -1.93 -0.18 115.31 121.96 2onk h LEU 211 Ca -0.46 0.27 0.14 0.00 0.09 0.00 0.00 57.88 57.91 2onk h LEU 211 Cb 1.14 0.81 -0.14 0.00 0.09 0.00 0.00 40.66 42.56 2onk h LEU 211 CO 0.45 -0.30 -0.30 0.11 0.09 0.00 0.00 178.44 178.48 2onk h LYS 212 N -0.20 -0.07 -0.57 1.13 1.57 -2.00 0.34 116.57 116.77 2onk h LYS 212 Ca 0.11 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.95 2onk h LYS 212 Cb 0.48 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.75 2onk h LYS 212 CO -0.71 -0.05 0.29 0.93 -0.57 0.00 0.00 179.45 179.34 2onk h GLU 213 N -0.07 0.54 -0.19 3.15 5.08 -1.60 -2.32 114.58 119.18 2onk h GLU 213 Ca 0.31 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.68 2onk h GLU 213 Cb 0.57 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2onk h GLU 213 CO -0.80 0.36 0.13 -0.07 -1.00 0.00 0.00 179.01 177.63 2onk h LEU 214 N 0.56 0.07 0.00 1.33 3.38 0.13 -2.46 115.31 118.32 2onk h LEU 214 Ca 0.26 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2onk h LEU 214 Cb 0.18 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2onk h LEU 214 CO -0.18 0.05 0.00 0.49 0.09 0.00 0.00 178.44 178.89 2onk n PHE 215 N -4.49 0.00 -0.31 1.13 3.01 -0.60 -4.18 117.46 112.02 2onk n PHE 215 Ca 0.01 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.43 2onk n PHE 215 Cb 0.21 -0.30 -0.02 0.00 -0.01 0.00 0.00 39.48 39.36 2onk n PHE 215 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2onk n SER 216 N -1.39 -0.65 -3.31 4.37 3.41 -1.16 -1.61 113.62 113.28 2onk n SER 216 Ca 0.00 1.34 -0.29 0.00 -0.26 0.00 0.00 58.87 59.67 2onk n SER 216 Cb 0.00 -0.24 -0.03 0.00 -0.26 0.00 0.00 64.21 63.68 2onk n SER 216 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2onk n ALA 217 N -3.51 4.40 -2.11 7.33 0.00 -0.93 -4.89 120.51 120.80 2onk n ALA 217 Ca 0.05 -2.42 -0.43 0.00 0.00 0.00 0.00 53.44 50.64 2onk n ALA 217 Cb 0.25 -3.19 -0.03 0.00 0.00 0.00 0.00 19.45 16.49 2onk n ALA 217 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2onk s LYS 218 N 3.81 3.87 -0.20 0.00 1.02 -0.63 -4.88 119.74 122.73 2onk s LYS 218 Ca 0.45 1.75 0.15 0.00 0.02 0.00 0.00 55.97 58.34 2onk s LYS 218 Cb 0.12 -4.02 0.57 0.00 -0.52 0.00 0.00 37.83 33.98 2onk s LYS 218 CO 0.01 -1.20 1.49 0.09 -0.92 0.00 0.00 175.35 174.81 2onk n ASN 219 N 8.18 4.03 0.00 2.83 3.02 -1.26 -4.97 115.26 127.09 2onk n ASN 219 Ca 0.18 -3.09 0.00 0.00 -0.03 0.00 0.00 54.58 51.65 2onk n ASN 219 Cb 0.45 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 39.04 2onk n ASN 219 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2onk n GLY 220 N -0.42 0.19 1.08 7.41 0.00 -1.26 -4.63 105.19 107.56 2onk n GLY 220 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 2onk n GLY 220 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2onk n GLU 221 N -1.73 0.00 0.15 1.61 2.13 -1.26 -4.19 120.64 117.35 2onk n GLU 221 Ca 0.00 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.83 2onk n GLU 221 Cb 0.05 -0.48 0.21 0.00 0.27 0.00 0.00 31.44 31.49 2onk n GLU 221 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2onk h VAL 222 N 0.00 1.24 -0.05 6.31 2.07 -1.96 -2.19 116.25 121.67 2onk h VAL 222 Ca 0.00 -1.96 -0.00 0.00 0.82 0.00 0.00 66.70 65.56 2onk h VAL 222 Cb 0.11 2.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.98 2onk h VAL 222 CO 0.00 0.53 0.01 0.00 0.02 0.00 0.00 177.57 178.13 2onk h ALA 223 N 1.46 0.06 0.07 1.67 0.00 -1.84 0.11 119.26 120.79 2onk h ALA 223 Ca -0.01 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.81 2onk h ALA 223 Cb 1.06 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 2onk h ALA 223 CO 0.07 -0.33 -0.17 1.49 0.00 0.00 0.00 179.25 180.30 2onk h GLU 224 N -0.13 -0.31 -0.16 0.00 4.81 -1.67 -1.52 114.58 115.61 2onk h GLU 224 Ca 0.01 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.30 2onk h GLU 224 Cb 0.21 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 2onk h GLU 224 CO -0.00 -0.21 -0.05 0.35 -0.73 0.00 0.00 179.01 178.37 2onk h PHE 225 N -0.33 -0.11 0.00 0.92 3.57 -1.28 -1.67 116.94 118.05 2onk h PHE 225 Ca 0.03 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.55 2onk h PHE 225 Cb 0.36 0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.17 2onk h PHE 225 CO -0.19 -0.08 0.00 1.28 -2.23 0.00 0.00 178.31 177.09 2onk n LEU 226 N -5.19 0.00 0.00 0.59 4.77 0.01 -3.31 117.00 113.88 2onk n LEU 226 Ca -0.03 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.03 2onk n LEU 226 Cb 0.12 0.00 0.39 0.00 -2.33 0.00 0.00 43.42 41.59 2onk n LEU 226 CO 0.25 0.00 0.76 -1.54 -1.33 0.00 0.00 177.39 175.53 2onk n SER 227 N -0.86 0.00 0.00 -1.43 3.41 -0.58 -2.89 113.62 111.26 2onk n SER 227 Ca 0.13 0.29 0.02 0.00 -0.26 0.00 0.00 58.87 59.06 2onk n SER 227 Cb 0.06 -0.40 0.10 0.00 -0.26 0.00 0.00 64.21 63.71 2onk n SER 227 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2onk n ALA 228 N -1.40 1.25 -0.19 7.33 0.00 -1.21 -2.29 120.51 123.99 2onk n ALA 228 Ca 0.06 -0.02 0.09 0.00 0.00 0.00 0.00 53.44 53.57 2onk n ALA 228 Cb 0.17 -1.08 0.39 0.00 0.00 0.00 0.00 19.45 18.93 2onk n ALA 228 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2onk h ARG 229 N 0.00 0.66 -0.22 0.00 2.47 -1.85 -1.96 114.38 113.47 2onk h ARG 229 Ca 0.00 -0.04 0.04 0.00 -1.26 0.00 0.00 59.98 58.72 2onk h ARG 229 Cb 0.08 -0.15 -0.04 0.00 -1.65 0.00 0.00 29.97 28.21 2onk h ARG 229 CO 0.00 0.43 -0.04 -0.91 0.56 0.00 0.00 179.97 180.02 2onk h ASN 230 N 0.68 -0.16 -0.78 7.04 2.35 -1.76 0.49 115.58 123.43 2onk h ASN 230 Ca 0.34 0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 56.14 2onk h ASN 230 Cb 0.44 0.12 -0.04 0.00 0.05 0.00 0.00 38.32 38.89 2onk h ASN 230 CO -0.12 -0.05 0.46 -0.07 -1.65 0.00 0.00 177.43 175.99 2onk h LEU 231 N 0.02 0.95 -0.87 1.61 3.38 -1.59 0.95 115.31 119.76 2onk h LEU 231 Ca 0.11 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 2onk h LEU 231 Cb 0.15 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2onk h LEU 231 CO -0.21 0.74 -0.30 -0.07 0.09 0.00 0.00 178.44 178.69 2onk h LEU 232 N 1.09 0.49 -0.02 1.67 3.38 -0.83 -0.92 115.31 120.17 2onk h LEU 232 Ca 0.28 -0.18 -0.16 0.00 0.09 0.00 0.00 57.88 57.91 2onk h LEU 232 Cb -0.02 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.61 2onk h LEU 232 CO -0.05 0.77 -0.60 -0.07 0.09 0.00 0.00 178.44 178.58 2onk h LEU 233 N 0.42 0.56 -1.06 1.67 3.38 0.15 -2.42 115.31 118.00 2onk h LEU 233 Ca 0.05 -0.74 0.02 0.00 0.09 0.00 0.00 57.88 57.30 2onk h LEU 233 Cb 0.74 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.27 2onk h LEU 233 CO 0.06 1.22 0.64 0.11 0.09 0.00 0.00 178.44 180.56 2onk h LYS 234 N -0.05 1.25 -0.45 1.13 1.57 0.95 -1.62 116.57 119.35 2onk h LYS 234 Ca -0.07 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.57 2onk h LYS 234 Cb 1.30 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 33.31 2onk h LYS 234 CO 0.12 0.82 0.04 0.28 -0.57 0.00 0.00 179.45 180.14 2onk h VAL 235 N 1.28 1.25 -0.32 0.50 2.07 -1.18 -1.00 116.25 118.86 2onk h VAL 235 Ca 0.36 -0.97 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 2onk h VAL 235 Cb -0.12 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 2onk h VAL 235 CO -0.09 0.34 0.11 0.77 0.02 0.00 0.00 177.57 178.72 2onk h SER 236 N 0.63 0.40 0.27 0.57 4.64 -0.97 -1.78 113.55 117.32 2onk h SER 236 Ca 0.13 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.40 2onk h SER 236 Cb 0.44 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 2onk h SER 236 CO 0.02 0.39 -0.13 0.11 -0.87 0.00 0.00 176.83 176.34 2onk h LYS 237 N 0.45 -0.35 0.00 4.77 1.57 -0.83 -3.09 116.57 119.09 2onk h LYS 237 Ca 0.11 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2onk h LYS 237 Cb 0.13 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2onk h LYS 237 CO -0.01 -0.01 0.04 0.82 -0.57 0.00 0.00 179.45 179.72 2onk h ILE 238 N -0.78 0.00 -4.31 1.86 2.04 -0.78 -3.41 117.51 112.14 2onk h ILE 238 Ca -0.04 0.00 -0.69 0.00 1.00 0.00 0.00 64.86 65.13 2onk h ILE 238 Cb 0.51 0.67 -0.26 0.00 -0.74 0.00 0.00 36.82 36.99 2onk h ILE 238 CO 0.06 0.00 -0.84 -0.76 0.00 0.00 0.00 178.15 176.61 2onk s LEU 239 N -5.14 2.35 0.00 1.44 1.43 -0.71 -5.09 118.68 112.96 2onk s LEU 239 Ca -0.03 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 2onk s LEU 239 Cb 0.09 -1.43 0.00 0.00 0.03 0.00 0.00 46.19 44.88 2onk s LEU 239 CO 0.27 0.31 0.00 0.47 0.23 0.00 0.00 176.35 177.64