#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oop n ASP 11 N 0.00 0.00 0.00 -3.46 10.43 -1.26 -5.00 116.55 117.27 1oop n ASP 11 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 1oop n ASP 11 Cb 0.00 0.00 0.00 0.00 1.84 0.00 0.00 41.12 42.96 1oop n ASP 11 CO 0.00 0.00 0.00 -1.14 -1.07 0.00 0.00 177.20 174.99 1oop n ARG 12 N 0.00 0.00 -2.12 -1.24 0.63 -1.26 -5.03 116.66 107.64 1oop n ARG 12 Ca 0.00 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.64 1oop n ARG 12 Cb 0.00 0.00 0.03 0.00 0.45 0.00 0.00 32.46 32.94 1oop n ARG 12 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1oop s VAL 13 N -0.05 4.00 -0.20 5.15 1.01 -1.26 -0.41 120.40 128.64 1oop s VAL 13 Ca 0.00 0.40 -0.28 0.00 0.00 0.00 0.00 61.98 62.10 1oop s VAL 13 Cb 0.00 -3.61 0.12 0.00 0.00 0.00 0.00 36.38 32.89 1oop s VAL 13 CO 0.00 -0.73 1.00 -0.60 0.00 0.00 0.00 175.10 174.76 1oop s ARG 14 N -5.14 0.58 -0.04 2.72 3.52 0.04 -4.90 118.95 115.73 1oop s ARG 14 Ca 0.55 0.30 -0.00 0.00 -0.13 0.00 0.00 55.73 56.45 1oop s ARG 14 Cb -0.11 0.28 0.03 0.00 -1.56 0.00 0.00 34.95 33.59 1oop s ARG 14 CO 0.50 -0.15 0.01 0.45 -0.81 0.00 0.00 175.30 175.30 1oop s SER 15 N -0.66 0.82 -0.11 -2.12 0.15 -1.26 -0.15 113.70 110.37 1oop s SER 15 Ca -0.01 -0.02 0.01 0.00 0.70 0.00 0.00 55.95 56.64 1oop s SER 15 Cb -0.02 -0.26 0.02 0.00 -1.71 0.00 0.00 66.02 64.05 1oop s SER 15 CO -0.01 -0.15 -0.14 -0.63 1.20 0.00 0.00 173.24 173.52 1oop s ILE 16 N 1.43 1.42 -0.16 6.45 1.01 -0.09 -4.96 121.20 126.30 1oop s ILE 16 Ca -0.04 -0.58 -0.00 0.00 0.00 0.00 0.00 60.65 60.02 1oop s ILE 16 Cb -0.13 -1.32 -0.00 0.00 0.01 0.00 0.00 42.46 41.02 1oop s ILE 16 CO -0.03 0.43 -0.14 -0.89 0.00 0.00 0.00 174.94 174.31 1oop s THR 17 N 1.12 2.76 -0.04 2.92 2.01 -1.26 -1.07 115.64 122.08 1oop s THR 17 Ca -0.04 -0.73 0.01 0.00 0.31 0.00 0.00 61.69 61.24 1oop s THR 17 Cb -0.14 -2.18 0.02 0.00 0.01 0.00 0.00 72.50 70.21 1oop s THR 17 CO -0.03 0.51 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.60 1oop s LEU 18 N 0.88 1.35 0.00 4.42 1.43 -0.15 -4.99 118.68 121.61 1oop s LEU 18 Ca -0.04 -0.11 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 1oop s LEU 18 Cb -0.15 -0.40 0.00 0.00 0.03 0.00 0.00 46.19 45.67 1oop s LEU 18 CO -0.01 -0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.13 1oop n GLY 19 N 3.98 3.63 1.78 -3.19 0.00 -1.23 -0.80 105.19 109.37 1oop n GLY 19 Ca -0.25 -0.10 -0.09 0.00 0.00 0.00 0.00 46.02 45.58 1oop n GLY 19 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1oop n ASN 20 N 5.08 3.96 -4.00 1.61 0.23 -1.26 -4.94 115.26 115.93 1oop n ASN 20 Ca 0.00 -3.43 -0.21 0.00 -0.53 0.00 0.00 54.58 50.41 1oop n ASN 20 Cb 0.00 -0.73 -0.16 0.00 -2.08 0.00 0.00 39.78 36.81 1oop n ASN 20 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1oop s SER 21 N -1.51 1.30 0.01 0.53 1.04 0.02 -5.06 113.70 110.03 1oop s SER 21 Ca 0.52 -0.20 0.07 0.00 0.48 0.00 0.00 55.95 56.82 1oop s SER 21 Cb 0.44 -0.39 -0.02 0.00 0.10 0.00 0.00 66.02 66.14 1oop s SER 21 CO 0.10 0.06 -0.21 -0.89 0.98 0.00 0.00 173.24 173.28 1oop s THR 22 N 0.28 1.65 -0.03 2.02 2.01 -1.26 -0.98 115.64 119.32 1oop s THR 22 Ca -0.05 -1.00 0.06 0.00 0.31 0.00 0.00 61.69 61.01 1oop s THR 22 Cb -0.10 -1.39 -0.02 0.00 0.01 0.00 0.00 72.50 71.00 1oop s THR 22 CO 0.01 0.37 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.47 1oop s ILE 23 N -0.60 2.53 0.07 1.82 1.01 -0.23 -4.96 121.20 120.84 1oop s ILE 23 Ca 0.08 -0.94 0.05 0.00 0.00 0.00 0.00 60.65 59.84 1oop s ILE 23 Cb -0.08 -1.94 -0.03 0.00 0.01 0.00 0.00 42.46 40.42 1oop s ILE 23 CO 0.00 0.58 -0.14 0.42 0.00 0.00 0.00 174.94 175.80 1oop s THR 24 N -0.67 1.08 0.01 2.92 -4.23 -1.26 -0.91 115.64 112.58 1oop s THR 24 Ca 0.11 -1.26 0.03 0.00 -1.18 0.00 0.00 61.69 59.38 1oop s THR 24 Cb -0.10 -1.04 -0.01 0.00 1.34 0.00 0.00 72.50 72.68 1oop s THR 24 CO -0.00 -0.21 -0.08 -0.89 -0.54 0.00 0.00 174.62 172.90 1oop s THR 25 N -1.23 0.62 -0.12 3.99 2.01 0.78 -4.96 115.64 116.73 1oop s THR 25 Ca -0.02 -0.56 0.14 0.00 0.31 0.00 0.00 61.69 61.56 1oop s THR 25 Cb -0.10 -0.56 -0.24 0.00 0.01 0.00 0.00 72.50 71.61 1oop s THR 25 CO 0.02 0.02 0.37 0.00 -0.69 0.00 0.00 174.62 174.34 1oop n GLN 26 N 2.46 0.66 -3.37 4.92 1.13 -1.26 -0.78 117.38 121.13 1oop n GLN 26 Ca -0.16 0.16 -0.15 0.00 -1.94 0.00 0.00 57.00 54.92 1oop n GLN 26 Cb 0.57 -1.67 -0.09 0.00 0.11 0.00 0.00 30.24 29.16 1oop n GLN 26 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 1oop s GLU 27 N -2.55 0.36 0.00 -1.09 -1.05 -1.20 -4.07 118.70 109.09 1oop s GLU 27 Ca -0.09 -0.09 0.00 0.00 -0.15 0.00 0.00 54.97 54.65 1oop s GLU 27 Cb 0.07 -0.56 0.00 0.00 -0.44 0.00 0.00 34.13 33.20 1oop s GLU 27 CO 0.82 -1.04 0.00 0.00 0.95 0.00 0.00 175.26 175.99 1oop n ALA 29 N -3.00 0.00 -1.78 0.00 0.00 -1.26 -4.82 120.51 109.65 1oop n ALA 29 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1oop n ALA 29 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1oop n ALA 29 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1oop n ASN 30 N 0.00 0.00 -4.00 0.00 5.03 -1.26 -4.77 115.26 110.26 1oop n ASN 30 Ca 0.00 0.00 -0.26 0.00 0.87 0.00 0.00 54.58 55.19 1oop n ASN 30 Cb 0.00 0.00 -0.17 0.00 -1.02 0.00 0.00 39.78 38.59 1oop n ASN 30 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1oop s VAL 31 N 2.66 1.22 0.05 2.41 1.01 -1.26 -4.69 120.40 121.79 1oop s VAL 31 Ca 0.00 -0.48 -0.26 0.00 0.00 0.00 0.00 61.98 61.24 1oop s VAL 31 Cb 0.00 -1.14 -0.05 0.00 0.00 0.00 0.00 36.38 35.19 1oop s VAL 31 CO 0.00 0.38 0.80 -0.69 0.00 0.00 0.00 175.10 175.59 1oop s VAL 32 N 1.04 4.72 -0.18 2.92 1.01 -0.79 -4.97 120.40 124.14 1oop s VAL 32 Ca -0.07 1.70 -0.03 0.00 0.00 0.00 0.00 61.98 63.58 1oop s VAL 32 Cb -0.15 -4.15 -0.02 0.00 0.00 0.00 0.00 36.38 32.07 1oop s VAL 32 CO -0.01 0.34 -0.05 -0.69 0.00 0.00 0.00 175.10 174.69 1oop s VAL 33 N 0.05 3.52 0.00 2.92 1.01 -1.26 -1.32 120.40 125.32 1oop s VAL 33 Ca 0.40 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.92 1oop s VAL 33 Cb -0.21 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.61 1oop s VAL 33 CO 0.24 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.41 1oop n GLY 34 N 4.16 0.00 2.79 4.51 0.00 0.21 -1.09 105.19 115.78 1oop n GLY 34 Ca -0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 1oop n GLY 34 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1oop n TYR 35 N 0.00 3.10 0.00 1.61 4.01 -1.26 -4.71 117.16 119.90 1oop n TYR 35 Ca 0.00 -2.54 0.00 0.00 -0.16 0.00 0.00 57.90 55.20 1oop n TYR 35 Cb 0.00 -0.90 0.00 0.00 -0.31 0.00 0.00 39.34 38.13 1oop n TYR 35 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1oop n GLY 36 N -0.53 2.83 3.77 2.72 0.00 -0.25 -4.99 105.19 108.75 1oop n GLY 36 Ca 0.50 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.13 1oop n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oop s VAL 37 N -2.84 4.83 -0.03 1.61 1.01 -1.26 -5.05 120.40 118.67 1oop s VAL 37 Ca 0.00 1.32 -0.03 0.00 0.00 0.00 0.00 61.98 63.27 1oop s VAL 37 Cb 0.00 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 1oop s VAL 37 CO 0.00 0.44 0.13 0.86 0.00 0.00 0.00 175.10 176.53 1oop s TRP 38 N -0.37 3.44 0.53 5.22 -0.11 -1.26 -4.14 118.94 122.24 1oop s TRP 38 Ca 0.32 0.32 -0.22 0.00 1.22 0.00 0.00 56.10 57.74 1oop s TRP 38 Cb -0.19 -1.81 -0.05 0.00 -1.50 0.00 0.00 33.47 29.91 1oop s TRP 38 CO 0.19 0.62 1.32 -1.25 -4.62 0.00 0.00 176.95 173.21 1oop s PRO 39 N -1.65 3.25 -0.01 5.86 0.04 -1.26 -4.94 135.00 136.29 1oop s PRO 39 Ca 0.23 2.15 -0.24 0.00 0.04 0.00 0.00 61.00 63.18 1oop s PRO 39 Cb -0.12 -2.29 0.05 0.00 0.04 0.00 0.00 34.50 32.18 1oop s PRO 39 CO 0.14 -1.07 0.53 0.95 0.04 0.00 0.00 177.00 177.58 1oop s THR 40 N -1.35 0.03 0.90 1.26 -4.23 -1.26 -4.97 115.64 106.01 1oop s THR 40 Ca 0.70 -0.21 -0.10 0.00 -1.18 0.00 0.00 61.69 60.90 1oop s THR 40 Cb -0.38 -0.88 0.13 0.00 1.34 0.00 0.00 72.50 72.71 1oop s THR 40 CO 0.45 -0.12 1.13 -0.31 -0.54 0.00 0.00 174.62 175.23 1oop s TYR 41 N -1.56 1.85 0.17 3.99 2.02 -1.26 -4.93 117.35 117.62 1oop s TYR 41 Ca -0.10 1.69 -0.30 0.00 -0.37 0.00 0.00 57.07 57.98 1oop s TYR 41 Cb -0.02 -3.25 -0.08 0.00 -0.40 0.00 0.00 41.96 38.21 1oop s TYR 41 CO 0.05 -2.63 1.25 -1.17 -1.57 0.00 0.00 175.55 171.49 1oop s LEU 42 N -6.47 4.42 0.27 -1.29 2.96 -1.26 -5.01 118.68 112.30 1oop s LEU 42 Ca 0.65 2.27 -0.19 0.00 -0.22 0.00 0.00 54.13 56.64 1oop s LEU 42 Cb -0.21 -3.60 -0.09 0.00 0.50 0.00 0.00 46.19 42.79 1oop s LEU 42 CO 0.58 -0.46 0.77 -0.54 -1.32 0.00 0.00 176.35 175.37 1oop s LYS 43 N 0.09 4.23 0.56 1.98 1.02 -1.26 -4.95 119.74 121.41 1oop s LYS 43 Ca 0.56 0.89 0.27 0.00 0.02 0.00 0.00 55.97 57.71 1oop s LYS 43 Cb -0.34 -2.73 1.47 0.00 -0.52 0.00 0.00 37.83 35.71 1oop s LYS 43 CO 0.36 0.30 1.99 -0.44 -0.92 0.00 0.00 175.35 176.64 1oop h ASP 44 N 3.03 0.00 1.58 2.83 3.32 -1.95 0.33 116.42 125.56 1oop h ASP 44 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1oop h ASP 44 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1oop h ASP 44 CO 0.65 0.00 0.00 -0.33 -1.72 0.00 0.00 179.24 177.84 1oop h GLU 45 N 0.00 0.00 -0.00 3.56 3.07 -2.03 -3.28 114.58 115.90 1oop h GLU 45 Ca 0.21 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.07 1oop h GLU 45 Cb 0.95 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.86 1oop h GLU 45 CO -0.00 0.00 -0.58 0.39 -1.40 0.00 0.00 179.01 177.42 1oop n GLU 46 N -2.43 2.06 -2.74 2.33 1.02 0.11 -5.02 120.64 115.98 1oop n GLU 46 Ca 0.05 -0.22 -0.33 0.00 -0.02 0.00 0.00 57.16 56.64 1oop n GLU 46 Cb 0.45 -1.20 -0.06 0.00 -0.02 0.00 0.00 31.44 30.60 1oop n GLU 46 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1oop s ALA 47 N -2.22 3.01 0.00 0.62 0.00 -0.70 -4.76 121.76 117.71 1oop s ALA 47 Ca 0.08 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.45 1oop s ALA 47 Cb 0.11 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 20.07 1oop s ALA 47 CO 0.54 0.02 0.00 -2.37 0.00 0.00 0.00 175.76 173.95 1oop n THR 48 N -0.78 0.00 -2.32 0.00 5.66 -1.26 -5.02 114.28 110.56 1oop n THR 48 Ca 0.07 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.65 1oop n THR 48 Cb 0.54 -0.32 -0.03 0.00 -1.55 0.00 0.00 70.33 68.97 1oop n THR 48 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1oop s ALA 49 N -1.62 3.52 -0.84 1.79 0.00 -1.26 -4.91 121.76 118.44 1oop s ALA 49 Ca 0.00 0.83 0.26 0.00 0.00 0.00 0.00 51.96 53.05 1oop s ALA 49 Cb 0.00 -3.54 0.66 0.00 0.00 0.00 0.00 23.12 20.24 1oop s ALA 49 CO 0.00 -0.75 1.55 0.39 0.00 0.00 0.00 175.76 176.96 1oop n GLU 50 N 4.89 0.13 -2.38 0.00 1.02 -1.26 -4.92 120.64 118.12 1oop n GLU 50 Ca 0.12 0.06 -0.33 0.00 -0.02 0.00 0.00 57.16 56.99 1oop n GLU 50 Cb 0.45 -1.61 -0.03 0.00 -0.02 0.00 0.00 31.44 30.23 1oop n GLU 50 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1oop s ASP 51 N -3.62 6.41 -0.01 1.62 -4.77 -1.26 -4.97 116.67 110.05 1oop s ASP 51 Ca 0.10 1.69 -0.30 0.00 -3.30 0.00 0.00 52.55 50.75 1oop s ASP 51 Cb 0.16 -2.53 -0.06 0.00 -1.09 0.00 0.00 42.92 39.40 1oop s ASP 51 CO 0.65 -0.74 1.58 -1.58 0.70 0.00 0.00 175.17 175.79 1oop s GLN 52 N -3.85 4.21 0.82 2.11 2.00 -1.26 -4.97 119.66 118.72 1oop s GLN 52 Ca 0.62 2.15 -0.11 0.00 -2.00 0.00 0.00 55.36 56.02 1oop s GLN 52 Cb -0.12 -3.78 0.08 0.00 0.80 0.00 0.00 33.01 29.99 1oop s GLN 52 CO 0.29 -0.75 1.09 -1.25 -0.50 0.00 0.00 175.29 174.17 1oop s PRO 53 N 3.28 1.89 -0.05 1.67 0.04 -1.26 -4.91 135.00 135.66 1oop s PRO 53 Ca 0.71 0.88 -0.02 0.00 0.04 0.00 0.00 61.00 62.61 1oop s PRO 53 Cb -0.34 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 1oop s PRO 53 CO 0.29 -1.82 0.04 0.99 0.04 0.00 0.00 177.00 176.54 1oop s THR 54 N -2.99 4.56 -0.48 1.26 2.01 -0.73 -4.93 115.64 114.34 1oop s THR 54 Ca 0.62 -0.29 0.05 0.00 0.31 0.00 0.00 61.69 62.37 1oop s THR 54 Cb -0.16 -3.00 0.18 0.00 0.01 0.00 0.00 72.50 69.53 1oop s THR 54 CO 0.56 0.49 0.40 0.00 -0.69 0.00 0.00 174.62 175.38 1oop n GLN 55 N 1.71 0.65 -0.80 4.92 6.02 -1.26 -2.14 117.38 126.48 1oop n GLN 55 Ca -0.16 -3.51 -0.29 0.00 -0.01 0.00 0.00 57.00 53.03 1oop n GLN 55 Cb 0.53 -1.80 0.23 0.00 1.02 0.00 0.00 30.24 30.23 1oop n GLN 55 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1oop s PRO 56 N -0.44 -0.68 0.00 -1.09 0.04 -1.26 -4.96 135.00 126.61 1oop s PRO 56 Ca 0.31 0.57 0.00 0.00 0.04 0.00 0.00 61.00 61.93 1oop s PRO 56 Cb 0.03 -1.60 0.00 0.00 0.04 0.00 0.00 34.50 32.97 1oop s PRO 56 CO -0.18 -3.49 0.00 -0.40 0.04 0.00 0.00 177.00 172.96 1oop n ASP 57 N -4.72 0.00 0.28 6.66 5.68 -1.26 -4.80 116.55 118.39 1oop n ASP 57 Ca 0.05 0.00 0.17 0.00 -0.50 0.00 0.00 54.79 54.51 1oop n ASP 57 Cb 0.56 0.00 0.66 0.00 -1.14 0.00 0.00 41.12 41.21 1oop n ASP 57 CO 0.00 0.00 0.00 1.62 -1.33 0.00 0.00 177.20 177.49 1oop h VAL 58 N 0.00 0.00 -0.00 2.12 3.04 -1.93 0.38 116.25 119.86 1oop h VAL 58 Ca 0.00 -0.54 0.00 0.00 -1.01 0.00 0.00 66.70 65.15 1oop h VAL 58 Cb 0.00 1.53 0.00 0.00 -2.01 0.00 0.00 31.29 30.81 1oop h VAL 58 CO 0.00 0.00 -0.25 0.00 -1.01 0.00 0.00 177.57 176.31 1oop n ALA 59 N -2.09 2.98 0.00 3.17 0.00 -1.26 -4.24 120.51 119.07 1oop n ALA 59 Ca 0.01 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1oop n ALA 59 Cb 0.32 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.49 1oop n ALA 59 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1oop n THR 60 N -1.36 0.00 -3.38 0.00 5.66 -0.66 -4.41 114.28 110.13 1oop n THR 60 Ca 0.08 0.00 -0.44 0.00 -3.05 0.00 0.00 64.05 60.64 1oop n THR 60 Cb 0.33 -0.41 -0.01 0.00 -1.55 0.00 0.00 70.33 68.68 1oop n THR 60 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1oop s ARG 62 N -1.14 1.64 -0.31 0.00 1.70 -1.26 -3.58 118.95 116.00 1oop s ARG 62 Ca 0.29 -1.57 -0.25 0.00 -0.47 0.00 0.00 55.73 53.72 1oop s ARG 62 Cb -0.10 0.41 0.01 0.00 -0.57 0.00 0.00 34.95 34.70 1oop s ARG 62 CO -0.09 -0.66 0.89 -0.06 -1.08 0.00 0.00 175.30 174.30 1oop s PHE 63 N -3.61 3.18 -0.21 5.89 0.08 -1.26 -3.89 117.98 118.16 1oop s PHE 63 Ca 0.30 0.92 -0.08 0.00 0.12 0.00 0.00 56.93 58.19 1oop s PHE 63 Cb 0.01 -3.39 -0.04 0.00 -0.57 0.00 0.00 43.02 39.03 1oop s PHE 63 CO 0.15 -0.65 0.09 0.71 -0.10 0.00 0.00 175.22 175.43 1oop s TYR 64 N 3.20 3.24 -0.36 0.36 2.02 0.59 -4.90 117.35 121.51 1oop s TYR 64 Ca 0.37 0.04 -0.13 0.00 -0.37 0.00 0.00 57.07 56.98 1oop s TYR 64 Cb -0.13 -2.16 -0.00 0.00 -0.40 0.00 0.00 41.96 39.26 1oop s TYR 64 CO 0.14 0.05 0.24 0.99 -1.57 0.00 0.00 175.55 175.39 1oop s THR 65 N 0.77 5.09 1.06 -0.71 2.01 -1.26 -0.78 115.64 121.82 1oop s THR 65 Ca 0.05 -0.43 -0.16 0.00 0.31 0.00 0.00 61.69 61.46 1oop s THR 65 Cb -0.13 -3.69 0.22 0.00 0.01 0.00 0.00 72.50 68.91 1oop s THR 65 CO 0.02 -0.10 1.15 -0.76 -0.69 0.00 0.00 174.62 174.25 1oop s LEU 66 N 1.68 1.52 0.59 4.42 1.43 -0.11 -4.99 118.68 123.22 1oop s LEU 66 Ca 0.05 0.72 -0.20 0.00 -1.03 0.00 0.00 54.13 53.68 1oop s LEU 66 Cb -0.18 -2.73 -0.04 0.00 0.03 0.00 0.00 46.19 43.28 1oop s LEU 66 CO 0.09 -3.33 1.26 -0.62 0.23 0.00 0.00 176.35 173.98 1oop n GLU 67 N -4.25 1.35 -2.33 1.70 -0.58 -1.26 -4.51 120.64 110.76 1oop n GLU 67 Ca 0.11 0.51 -0.25 0.00 -0.42 0.00 0.00 57.16 57.10 1oop n GLU 67 Cb 0.59 -2.47 0.05 0.00 -0.57 0.00 0.00 31.44 29.04 1oop n GLU 67 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1oop s SER 68 N -1.12 5.08 0.02 1.62 0.01 -1.26 -4.47 113.70 113.58 1oop s SER 68 Ca 0.76 0.43 0.00 0.00 1.31 0.00 0.00 55.95 58.45 1oop s SER 68 Cb -0.41 -1.21 -0.02 0.00 0.21 0.00 0.00 66.02 64.59 1oop s SER 68 CO 0.46 -1.39 -0.04 -0.69 0.41 0.00 0.00 173.24 172.00 1oop s VAL 69 N -3.10 0.16 -0.16 3.43 1.01 -0.83 -4.96 120.40 115.95 1oop s VAL 69 Ca 0.58 -0.96 -0.07 0.00 0.00 0.00 0.00 61.98 61.53 1oop s VAL 69 Cb -0.11 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.90 1oop s VAL 69 CO 0.44 -0.50 0.07 -0.04 0.00 0.00 0.00 175.10 175.06 1oop s MET 70 N -1.55 3.82 -0.11 2.72 -1.94 -1.26 -0.08 119.30 120.90 1oop s MET 70 Ca -0.15 -0.32 -0.20 0.00 -1.71 0.00 0.00 55.69 53.31 1oop s MET 70 Cb -0.09 -3.18 -0.04 0.00 2.01 0.00 0.00 34.83 33.53 1oop s MET 70 CO -0.01 0.38 0.58 -0.46 -0.01 0.00 0.00 175.02 175.50 1oop s TRP 71 N 0.06 3.52 0.25 -0.03 -0.00 0.19 -4.94 118.94 118.00 1oop s TRP 71 Ca 0.06 1.03 0.06 0.00 -0.00 0.00 0.00 56.10 57.25 1oop s TRP 71 Cb -0.12 -2.68 -0.05 0.00 -0.00 0.00 0.00 33.47 30.62 1oop s TRP 71 CO 0.01 0.10 -0.07 -0.65 -0.00 0.00 0.00 176.95 176.34 1oop s GLN 72 N 0.84 1.45 0.00 5.86 -0.21 -1.26 -4.29 119.66 122.04 1oop s GLN 72 Ca 0.31 -1.72 0.11 0.00 0.02 0.00 0.00 55.36 54.08 1oop s GLN 72 Cb -0.16 -1.03 0.64 0.00 1.00 0.00 0.00 33.01 33.46 1oop s GLN 72 CO 0.13 0.04 1.08 0.00 -2.12 0.00 0.00 175.29 174.42 1oop n GLN 73 N -0.50 0.34 0.00 2.91 10.64 -1.26 -1.85 117.38 127.65 1oop n GLN 73 Ca -0.06 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.11 1oop n GLN 73 Cb 0.63 -1.49 0.00 0.00 -0.86 0.00 0.00 30.24 28.51 1oop n GLN 73 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 1oop n SER 74 N -0.99 0.29 -4.70 2.61 3.41 -1.26 -4.73 113.62 108.24 1oop n SER 74 Ca 0.08 -0.64 -0.42 0.00 -0.26 0.00 0.00 58.87 57.63 1oop n SER 74 Cb 0.04 0.70 -0.03 0.00 -0.26 0.00 0.00 64.21 64.66 1oop n SER 74 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1oop n SER 75 N -0.70 4.08 0.03 4.04 7.64 -0.77 -4.89 113.62 123.05 1oop n SER 75 Ca 0.00 1.01 -0.07 0.00 1.01 0.00 0.00 58.87 60.82 1oop n SER 75 Cb 0.00 -1.56 -0.12 0.00 -1.01 0.00 0.00 64.21 61.52 1oop n SER 75 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1oop h PRO 76 N 7.98 0.00 0.00 1.43 0.11 -1.91 -3.44 132.00 136.17 1oop h PRO 76 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1oop h PRO 76 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1oop h PRO 76 CO 0.95 0.74 0.00 0.41 -0.21 0.00 0.00 178.00 179.89 1oop n GLY 77 N 1.43 1.74 3.18 -0.55 0.00 -1.26 -4.10 105.19 105.63 1oop n GLY 77 Ca -0.07 -1.51 -0.11 0.00 0.00 0.00 0.00 46.02 44.33 1oop n GLY 77 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1oop s TRP 78 N -1.81 1.00 -0.05 1.61 0.51 -0.28 -1.20 118.94 118.71 1oop s TRP 78 Ca 0.00 -1.20 -0.25 0.00 -2.12 0.00 0.00 56.10 52.53 1oop s TRP 78 Cb 0.00 -0.56 0.05 0.00 -0.81 0.00 0.00 33.47 32.16 1oop s TRP 78 CO 0.00 -0.45 0.55 1.67 -0.51 0.00 0.00 176.95 178.20 1oop s TRP 79 N -3.96 -0.50 0.04 -1.98 -2.14 -0.69 -1.31 118.94 108.40 1oop s TRP 79 Ca 0.26 0.88 0.03 0.00 2.66 0.00 0.00 56.10 59.93 1oop s TRP 79 Cb 0.07 0.29 -0.02 0.00 -3.10 0.00 0.00 33.47 30.71 1oop s TRP 79 CO 0.04 -0.51 -0.08 -1.58 -2.66 0.00 0.00 176.95 172.16 1oop s TRP 80 N -1.10 0.73 -0.13 1.66 0.51 -0.39 -1.89 118.94 118.33 1oop s TRP 80 Ca -0.11 -0.42 -0.02 0.00 -2.12 0.00 0.00 56.10 53.43 1oop s TRP 80 Cb -0.02 -0.43 -0.03 0.00 -0.81 0.00 0.00 33.47 32.18 1oop s TRP 80 CO 0.07 -0.05 -0.05 0.15 -0.51 0.00 0.00 176.95 176.56 1oop s LYS 81 N -1.34 3.42 -0.05 4.98 1.02 -1.26 -0.61 119.74 125.89 1oop s LYS 81 Ca -0.07 -0.54 -0.00 0.00 0.02 0.00 0.00 55.97 55.38 1oop s LYS 81 Cb -0.09 -2.81 -0.03 0.00 -0.52 0.00 0.00 37.83 34.38 1oop s LYS 81 CO 0.01 0.35 -0.01 -0.06 -0.92 0.00 0.00 175.35 174.72 1oop s PHE 82 N 0.06 3.10 0.10 3.18 0.08 -0.84 0.80 117.98 124.46 1oop s PHE 82 Ca -0.01 0.13 0.32 0.00 0.12 0.00 0.00 56.93 57.49 1oop s PHE 82 Cb -0.14 -1.73 1.29 0.00 -0.57 0.00 0.00 43.02 41.88 1oop s PHE 82 CO 0.03 0.45 1.96 -1.35 -0.10 0.00 0.00 175.22 176.21 1oop h PRO 83 N 4.82 0.00 -0.85 0.24 0.11 -1.83 -3.31 132.00 131.18 1oop h PRO 83 Ca -0.50 0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.75 1oop h PRO 83 Cb 1.18 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.15 1oop h PRO 83 CO 0.55 0.03 -0.32 -3.47 -0.21 0.00 0.00 178.00 174.58 1oop n ASP 84 N -3.13 -0.53 0.18 -2.05 2.03 -1.09 0.10 116.55 112.05 1oop n ASP 84 Ca 0.01 1.48 0.18 0.00 0.52 0.00 0.00 54.79 56.98 1oop n ASP 84 Cb 0.32 -0.35 0.78 0.00 -0.72 0.00 0.00 41.12 41.15 1oop n ASP 84 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1oop h ALA 85 N 1.22 1.83 -0.27 -1.67 0.00 0.26 -0.18 119.26 120.45 1oop h ALA 85 Ca 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1oop h ALA 85 Cb 0.52 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1oop h ALA 85 CO -0.85 -0.51 0.00 1.28 0.00 0.00 0.00 179.25 179.17 1oop n LEU 86 N -3.46 3.10 0.01 0.00 4.77 0.29 -4.00 117.00 117.71 1oop n LEU 86 Ca 0.04 -1.40 0.01 0.00 -0.03 0.00 0.00 56.01 54.62 1oop n LEU 86 Cb 0.51 -0.17 0.05 0.00 -2.33 0.00 0.00 43.42 41.48 1oop n LEU 86 CO 0.23 0.65 0.53 -1.54 -1.33 0.00 0.00 177.39 175.92 1oop n SER 87 N 1.23 0.04 0.00 -1.43 3.41 -0.08 -0.99 113.62 115.81 1oop n SER 87 Ca 0.16 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 59.28 1oop n SER 87 Cb 0.54 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 1oop n SER 87 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1oop n ASN 88 N -1.55 1.46 -4.56 4.04 2.85 -1.26 -4.52 115.26 111.72 1oop n ASN 88 Ca -0.00 -1.50 -0.43 0.00 -0.11 0.00 0.00 54.58 52.53 1oop n ASN 88 Cb 0.02 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 40.99 1oop n ASN 88 CO 0.00 0.00 0.00 -0.04 -2.11 0.00 0.00 177.26 175.11 1oop s MET 89 N -0.50 3.48 0.00 1.20 -1.94 -0.16 -4.87 119.30 116.50 1oop s MET 89 Ca 0.00 0.06 0.00 0.00 -1.71 0.00 0.00 55.69 54.04 1oop s MET 89 Cb 0.00 -3.93 0.00 0.00 2.01 0.00 0.00 34.83 32.91 1oop s MET 89 CO 0.00 -1.17 0.00 0.41 -0.01 0.00 0.00 175.02 174.25 1oop n GLY 90 N 4.94 1.68 0.26 -0.03 0.00 -1.26 -1.02 105.19 109.76 1oop n GLY 90 Ca 0.05 -0.01 0.15 0.00 0.00 0.00 0.00 46.02 46.21 1oop n GLY 90 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1oop h LEU 91 N 0.00 0.00 -0.43 0.99 3.38 -1.94 -2.20 115.31 115.11 1oop h LEU 91 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1oop h LEU 91 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1oop h LEU 91 CO 0.00 0.00 -0.01 0.15 0.09 0.00 0.00 178.44 178.67 1oop h PHE 92 N 0.00 0.84 -0.45 1.13 3.57 -1.67 -0.12 116.94 120.24 1oop h PHE 92 Ca 0.00 -0.15 -0.13 0.00 3.53 0.00 0.00 57.97 61.22 1oop h PHE 92 Cb 0.67 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 1oop h PHE 92 CO 0.00 0.83 -0.23 0.78 -2.23 0.00 0.00 178.31 177.46 1oop h GLY 93 N 0.61 1.04 1.56 2.40 0.00 -0.78 -2.04 103.07 105.86 1oop h GLY 93 Ca 0.12 -0.94 -0.05 0.00 0.00 0.00 0.00 47.33 46.46 1oop h GLY 93 CO 0.02 0.85 0.00 1.46 0.00 0.00 0.00 176.54 178.88 1oop h GLN 94 N 0.80 0.55 -0.12 4.80 1.08 -1.10 -2.03 115.11 119.08 1oop h GLN 94 Ca 0.10 -0.12 -0.14 0.00 -1.45 0.00 0.00 58.65 57.04 1oop h GLN 94 Cb 0.81 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.15 1oop h GLN 94 CO 0.07 0.57 -0.51 -0.91 -0.95 0.00 0.00 178.83 177.10 1oop h ASN 95 N 0.53 0.37 -0.47 1.46 2.35 -0.80 -2.31 115.58 116.70 1oop h ASN 95 Ca 0.11 -0.19 -0.02 0.00 -0.55 0.00 0.00 56.30 55.65 1oop h ASN 95 Cb 0.33 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.57 1oop h ASN 95 CO 0.01 0.82 0.22 0.24 -1.65 0.00 0.00 177.43 177.08 1oop h MET 96 N 0.27 0.73 -0.18 0.81 2.86 -0.67 -2.90 114.93 115.86 1oop h MET 96 Ca 0.01 -0.10 -0.08 0.00 -2.06 0.00 0.00 59.70 57.47 1oop h MET 96 Cb 1.00 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.52 1oop h MET 96 CO 0.09 0.59 -0.22 1.96 1.06 0.00 0.00 176.91 180.38 1oop h GLN 97 N 0.73 0.46 0.00 1.72 4.20 -0.96 -3.25 115.11 118.01 1oop h GLN 97 Ca 0.18 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1oop h GLN 97 Cb 0.12 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1oop h GLN 97 CO -0.02 0.84 0.00 0.66 -0.67 0.00 0.00 178.83 179.64 1oop n TYR 98 N -4.44 0.00 -5.22 2.96 4.01 -1.06 -3.17 117.16 110.24 1oop n TYR 98 Ca -0.06 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.37 1oop n TYR 98 Cb 0.42 -0.44 -0.16 0.00 -0.31 0.00 0.00 39.34 38.85 1oop n TYR 98 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 1oop s HIS 99 N -2.87 2.48 0.12 -0.72 3.76 -1.10 -1.53 115.29 115.43 1oop s HIS 99 Ca 0.15 -0.70 -0.18 0.00 -0.15 0.00 0.00 55.06 54.18 1oop s HIS 99 Cb 0.16 -1.62 -0.04 0.00 1.11 0.00 0.00 32.58 32.19 1oop s HIS 99 CO 0.41 -0.20 1.69 -0.92 -0.85 0.00 0.00 174.74 174.87 1oop h TYR 100 N 6.09 0.45 -2.82 1.40 3.20 -0.84 -3.45 116.97 120.99 1oop h TYR 100 Ca -0.32 -0.02 -0.63 0.00 3.14 0.00 0.00 58.73 60.90 1oop h TYR 100 Cb 1.18 -0.14 -0.16 0.00 1.54 0.00 0.00 36.73 39.15 1oop h TYR 100 CO 0.44 0.41 -0.78 -0.51 -1.64 0.00 0.00 178.16 176.08 1oop s LEU 101 N -9.89 2.62 -0.07 2.82 1.43 -0.61 -3.95 118.68 111.02 1oop s LEU 101 Ca -0.13 -0.85 -0.31 0.00 -1.03 0.00 0.00 54.13 51.81 1oop s LEU 101 Cb 0.09 -1.27 0.12 0.00 0.03 0.00 0.00 46.19 45.16 1oop s LEU 101 CO 0.73 0.09 1.02 -0.83 0.23 0.00 0.00 176.35 177.58 1oop s GLY 102 N -2.99 -0.39 -0.02 -3.19 0.00 -0.40 -1.41 107.32 98.90 1oop s GLY 102 Ca 0.25 1.21 -0.22 0.00 0.00 0.00 0.00 44.72 45.96 1oop s GLY 102 CO 0.13 0.40 0.48 1.09 0.00 0.00 0.00 173.10 175.20 1oop s ARG 103 N -2.84 0.87 0.04 2.90 1.70 -0.34 -2.59 118.95 118.68 1oop s ARG 103 Ca 0.07 -0.03 -0.28 0.00 -0.47 0.00 0.00 55.73 55.03 1oop s ARG 103 Cb -0.01 0.40 0.09 0.00 -0.57 0.00 0.00 34.95 34.86 1oop s ARG 103 CO -0.07 -0.26 0.92 0.00 -1.08 0.00 0.00 175.30 174.80 1oop s ALA 104 N -1.43 -1.78 0.50 7.88 0.00 -1.26 -1.80 121.76 123.87 1oop s ALA 104 Ca -0.11 0.75 0.04 0.00 0.00 0.00 0.00 51.96 52.64 1oop s ALA 104 Cb -0.03 0.48 -0.00 0.00 0.00 0.00 0.00 23.12 23.57 1oop s ALA 104 CO 0.06 -0.80 0.20 0.20 0.00 0.00 0.00 175.76 175.42 1oop s GLY 105 N -2.63 2.61 -0.01 0.00 0.00 0.80 -4.17 107.32 103.92 1oop s GLY 105 Ca 0.07 -1.14 -0.15 0.00 0.00 0.00 0.00 44.72 43.50 1oop s GLY 105 CO -0.06 -2.03 0.31 -0.19 0.00 0.00 0.00 173.10 171.13 1oop s TYR 106 N -2.77 -0.18 -0.24 1.90 2.02 -0.42 0.17 117.35 117.84 1oop s TYR 106 Ca 0.25 0.24 -0.05 0.00 -0.37 0.00 0.00 57.07 57.14 1oop s TYR 106 Cb 0.01 0.10 -0.01 0.00 -0.40 0.00 0.00 41.96 41.66 1oop s TYR 106 CO 0.15 -0.41 0.01 0.99 -1.57 0.00 0.00 175.55 174.72 1oop s THR 107 N -1.46 3.72 -0.19 -0.71 2.01 0.08 0.02 115.64 119.11 1oop s THR 107 Ca -0.13 -0.46 -0.06 0.00 0.31 0.00 0.00 61.69 61.36 1oop s THR 107 Cb -0.05 -2.75 -0.03 0.00 0.01 0.00 0.00 72.50 69.68 1oop s THR 107 CO 0.04 0.33 0.03 -0.63 -0.69 0.00 0.00 174.62 173.70 1oop s ILE 108 N 1.51 4.34 -0.27 1.82 1.01 0.89 -0.79 121.20 129.71 1oop s ILE 108 Ca 0.05 -0.19 0.01 0.00 0.00 0.00 0.00 60.65 60.53 1oop s ILE 108 Cb -0.15 -2.96 0.08 0.00 0.01 0.00 0.00 42.46 39.43 1oop s ILE 108 CO -0.00 0.43 -0.00 -2.28 0.00 0.00 0.00 174.94 173.09 1oop s HIS 109 N 0.75 2.47 -0.20 3.97 2.46 0.34 -0.45 115.29 124.64 1oop s HIS 109 Ca 0.02 -1.96 -0.16 0.00 0.47 0.00 0.00 55.06 53.42 1oop s HIS 109 Cb -0.14 -1.84 -0.04 0.00 -0.13 0.00 0.00 32.58 30.43 1oop s HIS 109 CO 0.02 -0.82 0.42 0.08 -2.47 0.00 0.00 174.74 171.97 1oop s VAL 110 N 1.36 5.18 -0.03 0.89 1.01 0.06 -1.36 120.40 127.52 1oop s VAL 110 Ca 0.01 0.76 0.01 0.00 0.00 0.00 0.00 61.98 62.76 1oop s VAL 110 Cb -0.19 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 1oop s VAL 110 CO -0.10 0.24 -0.04 -1.10 0.00 0.00 0.00 175.10 174.10 1oop s GLN 111 N 1.38 2.73 -0.31 2.72 -0.21 0.13 -1.70 119.66 124.40 1oop s GLN 111 Ca 0.20 -0.60 -0.05 0.00 0.02 0.00 0.00 55.36 54.93 1oop s GLN 111 Cb -0.15 -2.62 0.19 0.00 1.00 0.00 0.00 33.01 31.43 1oop s GLN 111 CO 0.08 0.64 0.89 0.00 -2.12 0.00 0.00 175.29 174.78 1oop s ASN 113 N 2.68 6.14 0.00 0.00 4.22 -1.26 -4.50 114.94 122.22 1oop s ASN 113 Ca 0.20 0.34 0.00 0.00 -2.14 0.00 0.00 52.86 51.26 1oop s ASN 113 Cb -0.03 -1.91 0.00 0.00 1.28 0.00 0.00 41.25 40.58 1oop s ASN 113 CO -0.21 0.33 0.00 0.00 -2.04 0.00 0.00 177.10 175.18 1oop n ALA 114 N 1.52 0.00 0.00 3.54 0.00 -1.26 -4.81 120.51 119.50 1oop n ALA 114 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1oop n ALA 114 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1oop n ALA 114 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1oop n SER 115 N 0.00 0.57 0.00 0.00 3.41 -1.26 -5.00 113.62 111.34 1oop n SER 115 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1oop n SER 115 Cb 0.00 0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 1oop n SER 115 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1oop n LYS 116 N -0.54 0.00 -0.00 4.33 5.02 -1.26 -4.79 118.16 120.91 1oop n LYS 116 Ca 0.00 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.39 1oop n LYS 116 Cb 0.04 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 34.93 1oop n LYS 116 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1oop n PHE 117 N 0.00 0.00 -2.61 2.13 3.01 -1.26 -4.94 117.46 113.79 1oop n PHE 117 Ca 0.00 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.20 1oop n PHE 117 Cb 0.00 -0.09 0.02 0.00 -0.01 0.00 0.00 39.48 39.40 1oop n PHE 117 CO 0.00 0.00 0.00 -1.01 1.01 0.00 0.00 176.76 176.76 1oop s HIS 118 N -3.04 3.32 0.08 1.38 3.76 -1.26 -4.60 115.29 114.92 1oop s HIS 118 Ca 0.05 0.57 -0.15 0.00 -0.15 0.00 0.00 55.06 55.38 1oop s HIS 118 Cb 0.15 -2.52 0.03 0.00 1.11 0.00 0.00 32.58 31.35 1oop s HIS 118 CO 0.85 -0.57 0.35 1.14 -0.85 0.00 0.00 174.74 175.66 1oop s GLN 119 N -4.82 0.94 0.00 1.40 -2.07 -0.97 -4.70 119.66 109.44 1oop s GLN 119 Ca 0.51 -0.61 0.00 0.00 -1.82 0.00 0.00 55.36 53.44 1oop s GLN 119 Cb -0.10 0.41 0.00 0.00 -1.09 0.00 0.00 33.01 32.23 1oop s GLN 119 CO 0.43 -0.33 0.00 0.41 -1.32 0.00 0.00 175.29 174.48 1oop n GLY 120 N 0.17 3.20 3.40 2.60 0.00 -1.26 -1.63 105.19 111.68 1oop n GLY 120 Ca -0.17 -1.23 -0.07 0.00 0.00 0.00 0.00 46.02 44.55 1oop n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oop s LEU 122 N 2.25 3.85 -0.18 0.00 1.43 0.53 -0.93 118.68 125.64 1oop s LEU 122 Ca -0.06 0.10 -0.11 0.00 -1.03 0.00 0.00 54.13 53.03 1oop s LEU 122 Cb -0.10 -2.31 -0.05 0.00 0.03 0.00 0.00 46.19 43.76 1oop s LEU 122 CO -0.15 0.25 0.18 -0.22 0.23 0.00 0.00 176.35 176.63 1oop s LEU 123 N -1.89 4.25 -0.25 1.79 2.96 0.38 -1.33 118.68 124.58 1oop s LEU 123 Ca 0.24 0.34 0.03 0.00 -0.22 0.00 0.00 54.13 54.52 1oop s LEU 123 Cb -0.12 -2.17 0.06 0.00 0.50 0.00 0.00 46.19 44.46 1oop s LEU 123 CO 0.16 0.19 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.58 1oop s VAL 124 N 0.19 2.06 0.14 1.68 1.01 -0.11 -1.57 120.40 123.80 1oop s VAL 124 Ca 0.11 -1.53 0.07 0.00 0.00 0.00 0.00 61.98 60.63 1oop s VAL 124 Cb -0.12 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 1oop s VAL 124 CO 0.00 -0.01 -0.16 -0.69 0.00 0.00 0.00 175.10 174.25 1oop s VAL 125 N 1.16 1.52 -0.23 2.92 1.01 -0.54 -1.66 120.40 124.58 1oop s VAL 125 Ca -0.08 -1.79 0.02 0.00 0.00 0.00 0.00 61.98 60.13 1oop s VAL 125 Cb -0.19 -1.65 0.05 0.00 0.00 0.00 0.00 36.38 34.58 1oop s VAL 125 CO -0.06 -0.37 -0.12 0.00 0.00 0.00 0.00 175.10 174.55 1oop s VAL 127 N 1.25 5.06 0.35 0.00 1.01 0.59 -4.06 120.40 124.60 1oop s VAL 127 Ca -0.04 -0.80 -0.28 0.00 0.00 0.00 0.00 61.98 60.86 1oop s VAL 127 Cb -0.18 -3.86 -0.10 0.00 0.00 0.00 0.00 36.38 32.25 1oop s VAL 127 CO -0.07 -0.35 1.25 -2.16 0.00 0.00 0.00 175.10 173.77 1oop s PRO 128 N 1.63 4.27 -0.84 2.72 0.04 -1.26 -0.69 135.00 140.88 1oop s PRO 128 Ca 0.04 2.07 -0.03 0.00 0.04 0.00 0.00 61.00 63.12 1oop s PRO 128 Cb -0.20 -2.95 -0.00 0.00 0.04 0.00 0.00 34.50 31.39 1oop s PRO 128 CO 0.08 -0.21 0.67 -1.91 0.04 0.00 0.00 177.00 175.68 1oop n GLU 129 N 0.59 -1.40 -2.60 4.56 4.07 0.88 -4.88 120.64 121.85 1oop n GLU 129 Ca 0.01 1.02 -0.42 0.00 -0.06 0.00 0.00 57.16 57.71 1oop n GLU 129 Cb 0.43 -3.98 0.01 0.00 -0.06 0.00 0.00 31.44 27.84 1oop n GLU 129 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1oop n ALA 130 N -2.50 5.57 -1.70 4.31 0.00 -1.25 -5.00 120.51 119.93 1oop n ALA 130 Ca -0.16 -4.53 -0.43 0.00 0.00 0.00 0.00 53.44 48.32 1oop n ALA 130 Cb 0.60 -2.59 -0.03 0.00 0.00 0.00 0.00 19.45 17.43 1oop n ALA 130 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1oop n GLU 131 N 2.04 2.52 -4.23 0.00 1.02 -1.26 -4.97 120.64 115.75 1oop n GLU 131 Ca 0.38 0.91 -0.29 0.00 -0.02 0.00 0.00 57.16 58.13 1oop n GLU 131 Cb 0.32 -2.70 -0.10 0.00 -0.02 0.00 0.00 31.44 28.94 1oop n GLU 131 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1oop s MET 132 N 0.64 2.13 0.27 3.49 -1.94 -1.26 -4.68 119.30 117.96 1oop s MET 132 Ca 0.73 -1.07 -0.09 0.00 -1.71 0.00 0.00 55.69 53.55 1oop s MET 132 Cb -0.57 -2.29 -0.07 0.00 2.01 0.00 0.00 34.83 33.92 1oop s MET 132 CO 0.38 0.49 0.60 0.20 -0.01 0.00 0.00 175.02 176.68 1oop s GLY 133 N -2.35 2.17 0.45 -0.03 0.00 -0.79 -4.82 107.32 101.94 1oop s GLY 133 Ca 0.22 -0.28 -0.14 0.00 0.00 0.00 0.00 44.72 44.52 1oop s GLY 133 CO 0.14 -0.14 0.87 0.00 0.00 0.00 0.00 173.10 173.98 1oop h ALA 135 N 1.19 0.69 -2.92 0.00 0.00 -0.19 -3.37 119.26 114.67 1oop h ALA 135 Ca -0.47 -0.41 -0.65 0.00 0.00 0.00 0.00 54.91 53.37 1oop h ALA 135 Cb 1.18 -0.15 -0.21 0.00 0.00 0.00 0.00 17.79 18.62 1oop h ALA 135 CO 0.63 0.67 -0.58 0.95 0.00 0.00 0.00 179.25 180.92 1oop s THR 136 N -4.55 4.65 0.50 0.00 -4.23 -1.26 -4.89 115.64 105.86 1oop s THR 136 Ca -0.11 -0.14 0.32 0.00 -1.18 0.00 0.00 61.69 60.59 1oop s THR 136 Cb 0.12 -3.23 0.52 0.00 1.34 0.00 0.00 72.50 71.25 1oop s THR 136 CO 0.87 0.25 1.77 -0.07 -0.54 0.00 0.00 174.62 176.90 1oop h LEU 137 N 8.30 0.14 -1.43 4.79 3.38 -1.96 -1.82 115.31 126.70 1oop h LEU 137 Ca -0.36 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1oop h LEU 137 Cb 1.17 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1oop h LEU 137 CO 0.58 0.01 0.00 0.00 0.09 0.00 0.00 178.44 179.12 1oop n ALA 138 N -2.68 2.46 -2.61 1.53 0.00 -1.26 -4.92 120.51 113.03 1oop n ALA 138 Ca 0.28 -0.67 -0.28 0.00 0.00 0.00 0.00 53.44 52.76 1oop n ALA 138 Cb 1.22 -1.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.57 1oop n ALA 138 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1oop s ASN 139 N -1.21 3.48 -0.05 0.00 0.01 -0.69 -5.14 114.94 111.34 1oop s ASN 139 Ca 0.30 -1.51 0.03 0.00 -0.71 0.00 0.00 52.86 50.96 1oop s ASN 139 Cb 0.16 0.10 -0.03 0.00 0.41 0.00 0.00 41.25 41.89 1oop s ASN 139 CO 0.22 -0.69 -0.11 -1.59 -1.51 0.00 0.00 177.10 173.42 1oop s LYS 140 N -3.80 2.58 0.92 -0.60 -2.85 -1.26 -4.51 119.74 110.23 1oop s LYS 140 Ca 0.24 -0.65 -0.11 0.00 -1.00 0.00 0.00 55.97 54.45 1oop s LYS 140 Cb 0.06 -2.46 0.15 0.00 -2.06 0.00 0.00 37.83 33.51 1oop s LYS 140 CO 0.12 0.63 1.10 -1.25 0.10 0.00 0.00 175.35 176.06 1oop s PRO 141 N -0.85 1.01 0.09 1.78 0.04 -1.26 -4.81 135.00 130.99 1oop s PRO 141 Ca 0.12 1.16 0.01 0.00 0.04 0.00 0.00 61.00 62.33 1oop s PRO 141 Cb -0.11 -1.75 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 1oop s PRO 141 CO 0.02 -2.51 0.24 0.16 0.04 0.00 0.00 177.00 174.94 1oop s ASP 142 N -3.00 6.36 0.17 6.66 1.47 -0.60 -4.95 116.67 122.78 1oop s ASP 142 Ca 0.65 0.25 0.00 0.00 1.18 0.00 0.00 52.55 54.64 1oop s ASP 142 Cb -0.21 -1.95 0.39 0.00 -0.34 0.00 0.00 42.92 40.81 1oop s ASP 142 CO 0.58 0.13 0.84 -2.65 0.68 0.00 0.00 175.17 174.76 1oop n PRO 143 N 0.06 -0.04 0.15 2.11 -0.02 -1.26 0.97 135.00 136.96 1oop n PRO 143 Ca -0.05 0.81 0.02 0.00 -2.02 0.00 0.00 63.50 62.26 1oop n PRO 143 Cb 0.52 -1.28 0.15 0.00 -0.02 0.00 0.00 33.50 32.86 1oop n PRO 143 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1oop h LYS 144 N 0.00 0.00 0.00 -0.52 6.56 -1.94 0.36 116.57 121.02 1oop h LYS 144 Ca 0.32 0.00 -0.08 0.00 -1.06 0.00 0.00 60.65 59.83 1oop h LYS 144 Cb 0.64 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.29 1oop h LYS 144 CO -0.51 0.55 -0.37 0.77 -2.06 0.00 0.00 179.45 177.82 1oop h SER 145 N 0.00 0.00 0.02 0.86 0.02 0.30 -3.22 113.55 111.52 1oop h SER 145 Ca -0.01 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 1oop h SER 145 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1oop h SER 145 CO 0.07 0.37 -0.15 -0.07 -1.14 0.00 0.00 176.83 175.91 1oop h LEU 146 N 0.00 0.10 -7.24 5.07 3.38 -1.09 -3.43 115.31 112.10 1oop h LEU 146 Ca -0.00 -0.95 -0.17 0.00 0.09 0.00 0.00 57.88 56.85 1oop h LEU 146 Cb 0.98 -0.03 -0.30 0.00 0.09 0.00 0.00 40.66 41.40 1oop h LEU 146 CO 0.05 1.04 -0.44 -0.55 0.09 0.00 0.00 178.44 178.62 1oop s SER 147 N -6.33 -0.12 -0.43 -0.43 0.15 0.09 -4.83 113.70 101.81 1oop s SER 147 Ca -0.18 0.70 0.04 0.00 0.70 0.00 0.00 55.95 57.21 1oop s SER 147 Cb -0.02 0.73 0.66 0.00 -1.71 0.00 0.00 66.02 65.67 1oop s SER 147 CO 0.72 -0.21 1.89 1.17 1.20 0.00 0.00 173.24 178.01 1oop n LYS 148 N 4.78 2.30 0.00 5.44 3.00 -1.26 -4.37 118.16 128.06 1oop n LYS 148 Ca -0.16 -2.93 0.00 0.00 -0.00 0.00 0.00 58.31 55.22 1oop n LYS 148 Cb 0.52 -2.15 0.00 0.00 0.00 0.00 0.00 35.03 33.40 1oop n LYS 148 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1oop n GLY 149 N -1.05 2.03 0.00 3.14 0.00 -1.26 -2.11 105.19 105.94 1oop n GLY 149 Ca 0.57 -0.39 0.15 0.00 0.00 0.00 0.00 46.02 46.35 1oop n GLY 149 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1oop n GLU 150 N 12.82 0.86 -3.61 1.61 0.28 -1.26 -4.04 120.64 127.31 1oop n GLU 150 Ca 0.00 0.00 -0.37 0.00 -0.16 0.00 0.00 57.16 56.63 1oop n GLU 150 Cb 0.00 -1.50 -0.10 0.00 1.43 0.00 0.00 31.44 31.27 1oop n GLU 150 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1oop s ILE 151 N -2.09 5.32 0.50 3.84 1.09 -0.90 -4.04 121.20 124.93 1oop s ILE 151 Ca 0.43 0.25 -0.23 0.00 -1.10 0.00 0.00 60.65 59.99 1oop s ILE 151 Cb 0.21 -3.54 -0.06 0.00 -1.06 0.00 0.00 42.46 38.01 1oop s ILE 151 CO 0.37 0.31 1.37 0.00 -0.10 0.00 0.00 174.94 176.88 1oop s ALA 152 N 1.28 2.99 0.43 9.38 0.00 -1.26 -3.98 121.76 130.59 1oop s ALA 152 Ca 0.09 1.35 0.05 0.00 0.00 0.00 0.00 51.96 53.45 1oop s ALA 152 Cb -0.14 -3.56 0.01 0.00 0.00 0.00 0.00 23.12 19.43 1oop s ALA 152 CO 0.06 -1.24 0.60 -0.80 0.00 0.00 0.00 175.76 174.38 1oop s ASN 153 N -0.82 5.68 0.06 0.00 0.01 -0.79 -4.91 114.94 114.17 1oop s ASN 153 Ca 0.67 -0.20 0.05 0.00 -0.71 0.00 0.00 52.86 52.67 1oop s ASN 153 Cb -0.41 -0.94 -0.03 0.00 0.41 0.00 0.00 41.25 40.29 1oop s ASN 153 CO 0.50 -0.75 -0.15 -0.04 -1.51 0.00 0.00 177.10 175.15 1oop s MET 154 N -4.41 0.93 0.74 -0.60 -1.94 -1.26 -1.71 119.30 111.05 1oop s MET 154 Ca 0.52 -0.88 -0.07 0.00 -1.71 0.00 0.00 55.69 53.55 1oop s MET 154 Cb -0.10 -0.97 0.08 0.00 2.01 0.00 0.00 34.83 35.86 1oop s MET 154 CO 0.34 0.23 1.05 -0.06 -0.01 0.00 0.00 175.02 176.57 1oop s PHE 155 N -1.04 2.62 0.15 -0.03 0.08 -0.34 -4.94 117.98 114.47 1oop s PHE 155 Ca 0.01 0.36 0.05 0.00 0.12 0.00 0.00 56.93 57.47 1oop s PHE 155 Cb -0.09 -3.29 -0.04 0.00 -0.57 0.00 0.00 43.02 39.03 1oop s PHE 155 CO 0.02 -1.60 -0.12 -1.21 -0.10 0.00 0.00 175.22 172.21 1oop s GLU 156 N -5.32 1.07 -0.31 0.44 2.02 -0.26 -4.47 118.70 111.87 1oop s GLU 156 Ca 0.62 -1.39 0.07 0.00 0.02 0.00 0.00 54.97 54.29 1oop s GLU 156 Cb -0.09 -0.76 0.63 0.00 0.10 0.00 0.00 34.13 34.01 1oop s GLU 156 CO 0.46 0.12 1.71 -1.13 0.02 0.00 0.00 175.26 176.43 1oop n SER 157 N 0.02 4.24 -3.46 -0.19 3.41 -1.26 -1.23 113.62 115.14 1oop n SER 157 Ca -0.12 -3.15 -0.12 0.00 -0.26 0.00 0.00 58.87 55.22 1oop n SER 157 Cb 0.59 -0.74 -0.03 0.00 -0.26 0.00 0.00 64.21 63.78 1oop n SER 157 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1oop s GLN 158 N -2.71 1.10 0.05 4.33 1.03 -1.26 -5.01 119.66 117.19 1oop s GLN 158 Ca 0.48 -0.30 -0.34 0.00 0.04 0.00 0.00 55.36 55.25 1oop s GLN 158 Cb 0.39 0.51 -0.13 0.00 0.03 0.00 0.00 33.01 33.82 1oop s GLN 158 CO 0.11 -0.46 1.74 0.09 -2.54 0.00 0.00 175.29 174.23 1oop n ASN 159 N -0.12 3.35 -4.81 12.60 4.13 -1.26 -4.31 115.26 124.84 1oop n ASN 159 Ca -0.15 1.02 -0.33 0.00 1.68 0.00 0.00 54.58 56.80 1oop n ASN 159 Cb 0.63 -1.42 -0.04 0.00 -1.54 0.00 0.00 39.78 37.41 1oop n ASN 159 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1oop s SER 160 N 2.46 6.51 0.11 6.41 1.04 -1.26 -4.99 113.70 123.98 1oop s SER 160 Ca 0.85 1.81 0.07 0.00 0.48 0.00 0.00 55.95 59.16 1oop s SER 160 Cb -0.66 -2.55 -0.03 0.00 0.10 0.00 0.00 66.02 62.88 1oop s SER 160 CO 0.44 -0.66 -0.18 0.42 0.98 0.00 0.00 173.24 174.23 1oop s THR 161 N -2.14 1.52 0.00 2.02 -4.23 -1.26 -4.87 115.64 106.68 1oop s THR 161 Ca 0.65 -1.56 0.00 0.00 -1.18 0.00 0.00 61.69 59.60 1oop s THR 161 Cb -0.13 -1.47 0.00 0.00 1.34 0.00 0.00 72.50 72.24 1oop s THR 161 CO 0.20 -0.18 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 1oop n GLY 162 N 0.96 2.86 0.10 3.99 0.00 -1.26 -4.88 105.19 106.96 1oop n GLY 162 Ca -0.19 -0.62 0.12 0.00 0.00 0.00 0.00 46.02 45.34 1oop n GLY 162 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1oop n GLU 163 N -0.78 0.33 -0.34 1.61 -0.00 -1.26 -3.98 120.64 116.21 1oop n GLU 163 Ca 0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 57.16 56.95 1oop n GLU 163 Cb 0.00 -1.50 0.00 0.00 -0.00 0.00 0.00 31.44 29.94 1oop n GLU 163 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 1oop n THR 164 N -1.16 0.00 -2.46 3.84 5.66 -1.26 -4.67 114.28 114.23 1oop n THR 164 Ca 0.08 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.82 1oop n THR 164 Cb 0.34 0.27 0.03 0.00 -1.55 0.00 0.00 70.33 69.43 1oop n THR 164 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1oop s ALA 165 N 0.00 3.37 0.04 1.79 0.00 -1.26 -1.56 121.76 124.14 1oop s ALA 165 Ca 0.00 -0.79 -0.22 0.00 0.00 0.00 0.00 51.96 50.95 1oop s ALA 165 Cb 0.00 -2.52 -0.06 0.00 0.00 0.00 0.00 23.12 20.54 1oop s ALA 165 CO 0.00 -0.79 0.67 0.08 0.00 0.00 0.00 175.76 175.73 1oop s VAL 166 N -2.95 4.76 -1.04 0.00 1.01 -1.26 0.50 120.40 121.42 1oop s VAL 166 Ca 0.54 1.43 -0.23 0.00 0.00 0.00 0.00 61.98 63.71 1oop s VAL 166 Cb -0.10 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 32.21 1oop s VAL 166 CO 0.44 0.43 1.89 -1.58 0.00 0.00 0.00 175.10 176.28 1oop s GLN 167 N -0.39 2.69 -0.02 2.72 2.00 0.31 -4.52 119.66 122.46 1oop s GLN 167 Ca 0.34 -0.78 0.03 0.00 -2.00 0.00 0.00 55.36 52.95 1oop s GLN 167 Cb -0.20 -5.18 0.12 0.00 0.80 0.00 0.00 33.01 28.55 1oop s GLN 167 CO 0.20 -3.45 0.93 0.00 -0.50 0.00 0.00 175.29 172.47 1oop n ALA 168 N 13.43 2.58 -1.80 1.58 0.00 -1.26 -3.92 120.51 131.12 1oop n ALA 168 Ca 0.42 -0.25 -0.42 0.00 0.00 0.00 0.00 53.44 53.18 1oop n ALA 168 Cb 0.47 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.89 1oop n ALA 168 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1oop s ASN 169 N -0.64 6.35 0.27 0.00 3.04 -1.26 -1.10 114.94 121.60 1oop s ASN 169 Ca 0.08 2.33 -0.04 0.00 0.04 0.00 0.00 52.86 55.28 1oop s ASN 169 Cb 0.05 -2.53 0.55 0.00 -1.54 0.00 0.00 41.25 37.79 1oop s ASN 169 CO 0.04 -1.18 1.61 0.58 -3.04 0.00 0.00 177.10 175.12 1oop h VAL 170 N 5.90 0.22 0.00 -5.21 2.07 -1.50 -2.35 116.25 115.38 1oop h VAL 170 Ca -0.44 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1oop h VAL 170 Cb 1.21 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1oop h VAL 170 CO 0.95 0.01 0.49 0.16 0.02 0.00 0.00 177.57 179.21 1oop h ILE 171 N 0.08 0.00 -0.05 4.57 -0.00 -1.88 0.40 117.51 120.62 1oop h ILE 171 Ca 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 65.34 1oop h ILE 171 Cb 0.91 0.42 0.00 0.00 -0.00 0.00 0.00 36.82 38.14 1oop h ILE 171 CO -0.77 0.00 0.00 0.59 -0.00 0.00 0.00 178.15 177.97 1oop n ASN 172 N -2.59 2.35 -1.90 2.16 3.02 -0.88 -1.68 115.26 115.74 1oop n ASN 172 Ca -0.01 -2.49 -0.03 0.00 -0.03 0.00 0.00 54.58 52.02 1oop n ASN 172 Cb 0.52 -0.22 -0.01 0.00 -0.61 0.00 0.00 39.78 39.47 1oop n ASN 172 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1oop n ALA 173 N -0.77 -0.56 -0.93 5.41 0.00 0.14 0.09 120.51 123.89 1oop n ALA 173 Ca 0.09 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1oop n ALA 173 Cb 0.46 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 19.23 1oop n ALA 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oop n GLY 174 N -0.36 0.53 0.00 0.00 0.00 -1.25 -4.80 105.19 99.31 1oop n GLY 174 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1oop n GLY 174 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1oop n MET 175 N -1.92 1.39 -1.78 1.61 2.81 0.11 -1.89 117.12 117.46 1oop n MET 175 Ca 0.00 -0.31 0.00 0.00 -1.81 0.00 0.00 57.70 55.58 1oop n MET 175 Cb 0.07 -0.79 0.00 0.00 -0.71 0.00 0.00 33.22 31.79 1oop n MET 175 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1oop n GLY 176 N 0.29 0.62 3.26 3.03 0.00 -0.50 -4.93 105.19 106.95 1oop n GLY 176 Ca 0.00 -0.76 -0.14 0.00 0.00 0.00 0.00 46.02 45.12 1oop n GLY 176 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1oop s VAL 177 N -2.08 0.45 -0.09 1.61 -7.23 -1.19 -5.07 120.40 106.80 1oop s VAL 177 Ca 0.00 -1.98 -0.30 0.00 -1.81 0.00 0.00 61.98 57.89 1oop s VAL 177 Cb 0.00 -2.39 -0.04 0.00 0.56 0.00 0.00 36.38 34.51 1oop s VAL 177 CO 0.00 -0.19 1.40 -0.83 -0.31 0.00 0.00 175.10 175.17 1oop s GLY 178 N -3.22 1.69 0.52 2.32 0.00 -1.26 -3.87 107.32 103.51 1oop s GLY 178 Ca 0.32 0.70 0.22 0.00 0.00 0.00 0.00 44.72 45.96 1oop s GLY 178 CO 0.09 2.64 2.05 -0.24 0.00 0.00 0.00 173.10 177.64 1oop h VAL 179 N 5.35 0.84 0.00 1.40 3.04 -1.57 -0.91 116.25 124.40 1oop h VAL 179 Ca -0.33 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.35 1oop h VAL 179 Cb 1.15 0.82 0.00 0.00 -2.01 0.00 0.00 31.29 31.25 1oop h VAL 179 CO 0.94 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 178.12 1oop n GLY 180 N -1.60 -0.79 1.06 3.17 0.00 -1.26 -1.94 105.19 103.82 1oop n GLY 180 Ca 0.05 -0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.13 1oop n GLY 180 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1oop n ASN 181 N -1.45 3.43 0.00 1.61 3.02 -0.35 -4.41 115.26 117.12 1oop n ASN 181 Ca 0.03 -1.96 0.03 0.00 -0.03 0.00 0.00 54.58 52.65 1oop n ASN 181 Cb 0.11 -0.32 0.14 0.00 -0.61 0.00 0.00 39.78 39.10 1oop n ASN 181 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1oop n LEU 182 N 1.26 0.00 0.27 3.41 4.77 -0.82 -2.93 117.00 122.95 1oop n LEU 182 Ca 0.19 0.32 0.12 0.00 -0.03 0.00 0.00 56.01 56.61 1oop n LEU 182 Cb 0.55 -0.32 0.76 0.00 -2.33 0.00 0.00 43.42 42.07 1oop n LEU 182 CO 0.14 -0.26 1.03 0.74 -1.33 0.00 0.00 177.39 177.71 1oop h THR 183 N 0.00 0.70 0.00 -5.08 2.02 -1.83 -2.37 112.91 106.35 1oop h THR 183 Ca 0.00 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.91 1oop h THR 183 Cb 0.06 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1oop h THR 183 CO 0.00 0.07 0.00 2.30 0.37 0.00 0.00 175.52 178.26 1oop n ILE 184 N -3.95 0.00 -4.05 3.11 -6.64 -1.15 -4.66 119.36 102.02 1oop n ILE 184 Ca -0.03 0.00 -0.25 0.00 -1.77 0.00 0.00 62.75 60.71 1oop n ILE 184 Cb 0.16 -0.58 -0.04 0.00 -1.44 0.00 0.00 39.64 37.74 1oop n ILE 184 CO 0.00 0.00 0.00 -0.36 -1.77 0.00 0.00 176.55 174.42 1oop s PHE 185 N -2.00 3.25 0.10 4.28 0.08 -0.89 -5.04 117.98 117.76 1oop s PHE 185 Ca 0.19 -0.01 -0.33 0.00 0.12 0.00 0.00 56.93 56.90 1oop s PHE 185 Cb 0.09 -1.53 -0.13 0.00 -0.57 0.00 0.00 43.02 40.88 1oop s PHE 185 CO 0.15 0.51 1.70 -0.35 -0.10 0.00 0.00 175.22 177.13 1oop n PRO 186 N -0.70 2.31 -3.90 0.24 -0.04 -1.26 -4.83 135.00 126.82 1oop n PRO 186 Ca -0.08 0.84 -0.09 0.00 -0.04 0.00 0.00 63.50 64.13 1oop n PRO 186 Cb 0.55 -2.65 -0.01 0.00 -0.04 0.00 0.00 33.50 31.35 1oop n PRO 186 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1oop s HIS 187 N 1.96 0.22 0.25 0.54 -3.43 -1.26 -1.91 115.29 111.66 1oop s HIS 187 Ca 0.82 -0.70 -0.13 0.00 -0.80 0.00 0.00 55.06 54.25 1oop s HIS 187 Cb -0.64 0.54 -0.00 0.00 -1.43 0.00 0.00 32.58 31.05 1oop s HIS 187 CO 0.40 -1.30 0.48 -0.65 -2.00 0.00 0.00 174.74 171.68 1oop s GLN 188 N -3.23 1.56 0.19 -0.38 -0.21 -0.67 -4.92 119.66 112.00 1oop s GLN 188 Ca 0.18 -1.26 0.11 0.00 0.02 0.00 0.00 55.36 54.41 1oop s GLN 188 Cb -0.04 0.47 -0.04 0.00 1.00 0.00 0.00 33.01 34.40 1oop s GLN 188 CO 0.11 -0.65 -0.22 -1.58 -2.12 0.00 0.00 175.29 170.83 1oop s TRP 189 N -3.99 2.18 -0.40 0.91 0.52 -1.26 -0.93 118.94 115.96 1oop s TRP 189 Ca 0.22 -0.38 0.03 0.00 0.02 0.00 0.00 56.10 55.99 1oop s TRP 189 Cb -0.01 -1.08 0.11 0.00 -1.15 0.00 0.00 33.47 31.35 1oop s TRP 189 CO 0.09 0.46 0.14 0.42 0.02 0.00 0.00 176.95 178.08 1oop s ILE 190 N -1.77 2.06 -0.44 2.03 1.01 -0.45 -4.87 121.20 118.78 1oop s ILE 190 Ca 0.19 -2.52 -0.16 0.00 0.00 0.00 0.00 60.65 58.17 1oop s ILE 190 Cb -0.07 -2.49 0.05 0.00 0.01 0.00 0.00 42.46 39.95 1oop s ILE 190 CO 0.09 -0.71 0.37 0.21 0.00 0.00 0.00 174.94 174.90 1oop s ASN 191 N 0.59 6.14 0.59 3.58 2.47 -1.26 -0.35 114.94 126.70 1oop s ASN 191 Ca 0.13 -1.08 0.30 0.00 0.42 0.00 0.00 52.86 52.63 1oop s ASN 191 Cb -0.21 -2.18 1.33 0.00 -1.45 0.00 0.00 41.25 38.73 1oop s ASN 191 CO -0.07 -0.57 1.69 -0.07 -3.72 0.00 0.00 177.10 174.36 1oop h LEU 192 N 8.77 0.00 -1.68 3.21 3.38 -1.39 0.29 115.31 127.89 1oop h LEU 192 Ca -0.28 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 1oop h LEU 192 Cb 1.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1oop h LEU 192 CO 0.81 0.00 -0.17 -0.09 0.09 0.00 0.00 178.44 179.09 1oop h ARG 193 N 0.00 0.00 0.00 1.13 2.43 -1.84 -3.39 114.38 112.71 1oop h ARG 193 Ca 0.37 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.54 1oop h ARG 193 Cb 1.94 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.49 1oop h ARG 193 CO -0.00 0.17 -0.70 0.25 -1.51 0.00 0.00 179.97 178.17 1oop n THR 194 N -4.30 0.00 -2.65 0.20 -2.24 0.90 -5.05 114.28 101.14 1oop n THR 194 Ca -0.02 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.62 1oop n THR 194 Cb 0.23 -0.38 0.06 0.00 -2.10 0.00 0.00 70.33 68.15 1oop n THR 194 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1oop n ASN 195 N -2.22 1.00 0.00 3.42 3.02 -0.38 -4.81 115.26 115.29 1oop n ASN 195 Ca 0.00 -1.79 0.00 0.00 -0.03 0.00 0.00 54.58 52.76 1oop n ASN 195 Cb 0.35 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 1oop n ASN 195 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1oop n ASN 196 N -2.83 0.00 -3.63 6.41 0.23 -1.18 -4.46 115.26 109.80 1oop n ASN 196 Ca 0.10 -0.36 -0.09 0.00 -0.53 0.00 0.00 54.58 53.70 1oop n ASN 196 Cb 0.37 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.05 1oop n ASN 196 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1oop s SER 197 N 0.00 -0.41 -0.00 0.53 1.04 -1.26 -0.78 113.70 112.82 1oop s SER 197 Ca 0.00 -0.28 -0.00 0.00 0.48 0.00 0.00 55.95 56.15 1oop s SER 197 Cb 0.00 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.77 1oop s SER 197 CO 0.00 -1.11 0.01 0.00 0.98 0.00 0.00 173.24 173.12 1oop s ALA 198 N -3.77 -0.00 -0.09 5.32 0.00 -0.69 -4.67 121.76 117.86 1oop s ALA 198 Ca 0.06 0.06 0.01 0.00 0.00 0.00 0.00 51.96 52.08 1oop s ALA 198 Cb -0.03 -0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.07 1oop s ALA 198 CO -0.03 -0.02 -0.08 0.99 0.00 0.00 0.00 175.76 176.62 1oop s THR 199 N 0.15 0.95 -0.06 0.00 2.01 -1.26 -0.76 115.64 116.67 1oop s THR 199 Ca -0.01 -0.30 0.00 0.00 0.31 0.00 0.00 61.69 61.70 1oop s THR 199 Cb -0.02 -0.94 0.02 0.00 0.01 0.00 0.00 72.50 71.57 1oop s THR 199 CO -0.00 0.34 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.59 1oop s ILE 200 N 1.29 0.60 -0.25 1.82 1.01 0.41 -1.89 121.20 124.20 1oop s ILE 200 Ca -0.03 -0.11 -0.11 0.00 0.00 0.00 0.00 60.65 60.40 1oop s ILE 200 Cb -0.14 -0.65 -0.05 0.00 0.01 0.00 0.00 42.46 41.64 1oop s ILE 200 CO -0.03 0.26 0.18 -0.69 0.00 0.00 0.00 174.94 174.66 1oop s VAL 201 N 1.25 5.34 -0.19 2.92 1.01 -0.44 -0.08 120.40 130.23 1oop s VAL 201 Ca -0.05 0.21 -0.02 0.00 0.00 0.00 0.00 61.98 62.11 1oop s VAL 201 Cb -0.14 -3.52 -0.01 0.00 0.00 0.00 0.00 36.38 32.72 1oop s VAL 201 CO -0.02 0.32 -0.09 -0.04 0.00 0.00 0.00 175.10 175.27 1oop s MET 202 N 1.21 3.33 0.82 2.72 -1.94 0.10 0.66 119.30 126.20 1oop s MET 202 Ca 0.08 -0.67 -0.12 0.00 -1.71 0.00 0.00 55.69 53.27 1oop s MET 202 Cb -0.14 -2.83 0.08 0.00 2.01 0.00 0.00 34.83 33.95 1oop s MET 202 CO 0.06 -0.07 1.13 -1.25 -0.01 0.00 0.00 175.02 174.89 1oop s PRO 203 N 1.08 1.92 -0.23 2.03 0.04 -1.26 -1.29 135.00 137.29 1oop s PRO 203 Ca 0.00 0.36 -0.29 0.00 0.04 0.00 0.00 61.00 61.11 1oop s PRO 203 Cb -0.15 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1oop s PRO 203 CO -0.02 -1.67 1.15 -0.47 0.04 0.00 0.00 177.00 176.03 1oop s TYR 204 N -3.35 3.06 -0.17 0.56 5.04 -1.26 -4.84 117.35 116.40 1oop s TYR 204 Ca 0.61 1.20 0.00 0.00 -2.44 0.00 0.00 57.07 56.44 1oop s TYR 204 Cb -0.13 -3.48 0.01 0.00 0.35 0.00 0.00 41.96 38.71 1oop s TYR 204 CO 0.52 -1.10 -0.16 0.42 -1.34 0.00 0.00 175.55 173.89 1oop s ILE 205 N 3.50 2.47 0.00 3.14 1.01 -1.26 -5.08 121.20 124.98 1oop s ILE 205 Ca 0.49 -0.82 -0.29 0.00 0.00 0.00 0.00 60.65 60.04 1oop s ILE 205 Cb -0.17 -2.05 0.10 0.00 0.01 0.00 0.00 42.46 40.35 1oop s ILE 205 CO 0.12 0.51 1.02 0.21 0.00 0.00 0.00 174.94 176.81 1oop s ASN 206 N 1.12 -0.23 -0.08 3.58 3.04 -1.26 -4.93 114.94 116.18 1oop s ASN 206 Ca 0.01 -0.13 0.11 0.00 0.04 0.00 0.00 52.86 52.89 1oop s ASN 206 Cb -0.14 0.34 0.46 0.00 -1.54 0.00 0.00 41.25 40.37 1oop s ASN 206 CO -0.06 -0.59 1.31 -1.54 -3.04 0.00 0.00 177.10 173.18 1oop n SER 207 N -0.31 3.27 -3.84 -4.21 3.41 -1.26 -4.80 113.62 105.87 1oop n SER 207 Ca -0.06 -2.31 -0.12 0.00 -0.26 0.00 0.00 58.87 56.12 1oop n SER 207 Cb 0.61 -0.47 -0.10 0.00 -0.26 0.00 0.00 64.21 63.99 1oop n SER 207 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1oop s VAL 208 N -1.77 0.07 0.47 -3.33 -7.23 -1.26 -5.06 120.40 102.30 1oop s VAL 208 Ca 0.33 -0.61 0.16 0.00 -1.81 0.00 0.00 61.98 60.05 1oop s VAL 208 Cb 0.21 -0.48 0.32 0.00 0.56 0.00 0.00 36.38 36.99 1oop s VAL 208 CO 0.15 -0.33 2.03 1.55 -0.31 0.00 0.00 175.10 178.19 1oop h PRO 209 N 4.19 0.24 -3.69 4.82 0.13 -1.87 -3.45 132.00 132.38 1oop h PRO 209 Ca -0.30 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 64.74 1oop h PRO 209 Cb 1.19 -0.05 -0.10 0.00 0.13 0.00 0.00 31.00 32.16 1oop h PRO 209 CO 0.40 0.16 -0.16 -1.64 -0.23 0.00 0.00 178.00 176.54 1oop s MET 210 N -5.25 1.46 0.25 0.86 -1.94 -1.26 -4.92 119.30 108.50 1oop s MET 210 Ca -0.07 -1.22 -0.21 0.00 -1.71 0.00 0.00 55.69 52.48 1oop s MET 210 Cb 0.19 0.45 0.03 0.00 2.01 0.00 0.00 34.83 37.51 1oop s MET 210 CO 0.73 -0.60 0.68 0.34 -0.01 0.00 0.00 175.02 176.16 1oop s ASP 211 N -3.00 -0.34 0.19 3.03 -1.08 -1.07 -4.94 116.67 109.45 1oop s ASP 211 Ca 0.21 -0.45 -0.30 0.00 -0.52 0.00 0.00 52.55 51.49 1oop s ASP 211 Cb 0.00 0.69 -0.08 0.00 -1.46 0.00 0.00 42.92 42.07 1oop s ASP 211 CO 0.07 -1.24 1.11 0.21 0.52 0.00 0.00 175.17 175.84 1oop s ASN 212 N -2.88 7.24 0.00 -0.34 3.84 -1.25 -1.28 114.94 120.27 1oop s ASN 212 Ca 0.09 2.13 0.28 0.00 0.21 0.00 0.00 52.86 55.57 1oop s ASN 212 Cb -0.04 -2.61 1.16 0.00 -0.55 0.00 0.00 41.25 39.21 1oop s ASN 212 CO 0.02 -0.24 1.82 0.23 -2.79 0.00 0.00 177.10 176.14 1oop n MET 213 N 2.27 0.84 -0.11 0.43 2.81 -1.26 -3.67 117.12 118.43 1oop n MET 213 Ca 0.03 -0.34 -0.15 0.00 -1.81 0.00 0.00 57.70 55.43 1oop n MET 213 Cb 0.46 -1.49 -0.14 0.00 -0.71 0.00 0.00 33.22 31.34 1oop n MET 213 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1oop n PHE 214 N -0.78 0.10 0.86 2.03 3.72 -1.26 -4.45 117.46 117.67 1oop n PHE 214 Ca 0.15 0.03 0.10 0.00 -0.05 0.00 0.00 57.45 57.68 1oop n PHE 214 Cb 0.29 -1.01 0.30 0.00 -0.94 0.00 0.00 39.48 38.11 1oop n PHE 214 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 1oop n ARG 215 N -3.06 2.01 -3.77 -1.08 1.85 -1.25 -4.84 116.66 106.52 1oop n ARG 215 Ca -0.39 -1.53 -0.14 0.00 -1.00 0.00 0.00 57.85 54.79 1oop n ARG 215 Cb 1.06 -1.42 -0.15 0.00 -1.05 0.00 0.00 32.46 30.90 1oop n ARG 215 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 1oop s HIS 216 N -1.65 -0.11 -0.17 2.89 2.46 -1.24 -5.06 115.29 112.41 1oop s HIS 216 Ca 0.34 0.36 0.19 0.00 0.47 0.00 0.00 55.06 56.42 1oop s HIS 216 Cb 0.19 -0.10 -0.08 0.00 -0.13 0.00 0.00 32.58 32.45 1oop s HIS 216 CO 0.27 -0.13 0.92 0.09 -2.47 0.00 0.00 174.74 173.41 1oop n ASN 217 N 4.03 0.86 0.00 9.88 3.02 -1.26 -4.65 115.26 127.13 1oop n ASN 217 Ca -0.25 0.36 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 1oop n ASN 217 Cb 0.52 0.28 0.00 0.00 -0.61 0.00 0.00 39.78 39.98 1oop n ASN 217 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1oop n ASN 218 N -2.80 0.00 -3.51 6.41 3.02 -1.26 -3.73 115.26 113.39 1oop n ASN 218 Ca -0.06 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.34 1oop n ASN 218 Cb 0.72 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.84 1oop n ASN 218 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1oop s PHE 219 N 0.00 -0.58 -0.05 3.10 -0.71 -1.25 -0.09 117.98 118.40 1oop s PHE 219 Ca 0.00 0.83 0.05 0.00 -1.04 0.00 0.00 56.93 56.77 1oop s PHE 219 Cb 0.00 0.42 -0.01 0.00 -1.21 0.00 0.00 43.02 42.23 1oop s PHE 219 CO 0.00 -0.66 -0.21 0.99 -1.34 0.00 0.00 175.22 174.00 1oop s THR 220 N -1.95 1.70 -0.07 -4.49 2.01 0.14 -1.98 115.64 111.00 1oop s THR 220 Ca -0.08 -0.87 -0.20 0.00 0.31 0.00 0.00 61.69 60.86 1oop s THR 220 Cb -0.00 -1.45 -0.04 0.00 0.01 0.00 0.00 72.50 71.01 1oop s THR 220 CO 0.03 0.48 0.57 -0.22 -0.69 0.00 0.00 174.62 174.79 1oop s LEU 221 N -0.01 4.33 -0.06 4.42 2.96 0.22 -0.30 118.68 130.24 1oop s LEU 221 Ca -0.05 1.01 0.03 0.00 -0.22 0.00 0.00 54.13 54.90 1oop s LEU 221 Cb -0.13 -2.86 0.01 0.00 0.50 0.00 0.00 46.19 43.71 1oop s LEU 221 CO 0.03 -0.00 -0.15 -0.04 -1.32 0.00 0.00 176.35 174.87 1oop s MET 222 N 0.44 1.85 -0.18 1.98 -1.94 0.34 -1.26 119.30 120.53 1oop s MET 222 Ca 0.30 -0.53 0.01 0.00 -1.71 0.00 0.00 55.69 53.76 1oop s MET 222 Cb -0.17 -1.53 0.03 0.00 2.01 0.00 0.00 34.83 35.17 1oop s MET 222 CO 0.14 0.12 -0.15 0.08 -0.01 0.00 0.00 175.02 175.21 1oop s VAL 223 N 0.38 1.77 -0.10 -6.03 1.01 -0.43 -1.47 120.40 115.54 1oop s VAL 223 Ca -0.11 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 60.98 1oop s VAL 223 Cb -0.14 -1.70 0.03 0.00 0.00 0.00 0.00 36.38 34.57 1oop s VAL 223 CO 0.04 0.39 -0.01 -0.63 0.00 0.00 0.00 175.10 174.89 1oop s ILE 224 N 1.38 0.50 -0.18 2.22 1.01 -0.61 -1.13 121.20 124.40 1oop s ILE 224 Ca 0.03 -0.04 -0.29 0.00 0.00 0.00 0.00 60.65 60.34 1oop s ILE 224 Cb -0.14 -0.69 -0.00 0.00 0.01 0.00 0.00 42.46 41.64 1oop s ILE 224 CO -0.10 0.21 1.09 -2.16 0.00 0.00 0.00 174.94 173.98 1oop s PRO 225 N 1.91 4.29 0.10 2.79 0.04 -1.26 -0.47 135.00 142.41 1oop s PRO 225 Ca 0.04 1.46 0.23 0.00 0.04 0.00 0.00 61.00 62.76 1oop s PRO 225 Cb -0.13 -3.64 -0.05 0.00 0.04 0.00 0.00 34.50 30.72 1oop s PRO 225 CO -0.06 -0.57 0.93 1.19 0.04 0.00 0.00 177.00 178.53 1oop n PHE 226 N 6.03 0.52 -3.85 0.56 3.01 -0.10 -4.71 117.46 118.92 1oop n PHE 226 Ca 0.12 0.15 -0.22 0.00 1.01 0.00 0.00 57.45 58.50 1oop n PHE 226 Cb 0.46 -0.68 -0.17 0.00 -0.01 0.00 0.00 39.48 39.08 1oop n PHE 226 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1oop s ALA 227 N -3.34 0.72 0.57 4.37 0.00 -1.13 -4.97 121.76 117.98 1oop s ALA 227 Ca -0.01 -0.13 -0.19 0.00 0.00 0.00 0.00 51.96 51.64 1oop s ALA 227 Cb 0.12 -0.68 -0.05 0.00 0.00 0.00 0.00 23.12 22.51 1oop s ALA 227 CO 0.82 -0.37 1.18 -1.25 0.00 0.00 0.00 175.76 176.14 1oop s PRO 228 N 1.74 3.13 0.33 0.00 0.04 -1.26 -1.17 135.00 137.81 1oop s PRO 228 Ca 0.02 1.75 -0.29 0.00 0.04 0.00 0.00 61.00 62.52 1oop s PRO 228 Cb -0.13 -1.96 -0.12 0.00 0.04 0.00 0.00 34.50 32.33 1oop s PRO 228 CO -0.04 -1.06 1.49 -0.11 0.04 0.00 0.00 177.00 177.31 1oop n LEU 229 N -1.46 4.31 -3.70 -3.56 7.94 -1.26 -4.14 117.00 115.13 1oop n LEU 229 Ca 0.13 1.19 -0.14 0.00 -1.11 0.00 0.00 56.01 56.08 1oop n LEU 229 Cb 0.50 -1.58 -0.07 0.00 0.53 0.00 0.00 43.42 42.80 1oop n LEU 229 CO 0.44 0.01 0.12 -0.55 -1.11 0.00 0.00 177.39 176.29 1oop s SER 230 N 0.10 -0.27 -0.11 1.96 0.15 -0.64 -4.56 113.70 110.33 1oop s SER 230 Ca 0.59 0.11 -0.33 0.00 0.70 0.00 0.00 55.95 57.02 1oop s SER 230 Cb -0.51 0.38 0.12 0.00 -1.71 0.00 0.00 66.02 64.30 1oop s SER 230 CO 0.57 -0.55 1.15 -0.72 1.20 0.00 0.00 173.24 174.89 1oop s TYR 231 N -1.80 -0.15 0.41 3.44 -0.85 -1.26 -2.29 117.35 114.85 1oop s TYR 231 Ca -0.10 0.06 -0.07 0.00 -0.52 0.00 0.00 57.07 56.45 1oop s TYR 231 Cb -0.03 0.53 -0.05 0.00 0.38 0.00 0.00 41.96 42.79 1oop s TYR 231 CO 0.02 -0.32 0.72 -1.12 -1.52 0.00 0.00 175.55 173.34 1oop s SER 232 N -2.42 6.40 0.21 -0.18 0.01 -1.26 -5.00 113.70 111.46 1oop s SER 232 Ca 0.10 0.95 -0.31 0.00 1.31 0.00 0.00 55.95 57.99 1oop s SER 232 Cb 0.00 -2.25 -0.11 0.00 0.21 0.00 0.00 66.02 63.87 1oop s SER 232 CO -0.05 -0.42 1.64 0.42 0.41 0.00 0.00 173.24 175.24 1oop s THR 233 N -2.45 2.23 0.00 1.44 -4.23 -1.26 -2.29 115.64 109.08 1oop s THR 233 Ca 0.48 0.17 0.00 0.00 -1.18 0.00 0.00 61.69 61.16 1oop s THR 233 Cb -0.10 -3.11 0.00 0.00 1.34 0.00 0.00 72.50 70.63 1oop s THR 233 CO 0.36 0.02 0.00 0.61 -0.54 0.00 0.00 174.62 175.07 1oop n GLY 234 N 3.48 3.21 3.75 3.99 0.00 -1.26 -5.08 105.19 113.28 1oop n GLY 234 Ca 0.13 -1.12 -0.37 0.00 0.00 0.00 0.00 46.02 44.66 1oop n GLY 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oop s ALA 235 N 0.00 2.73 0.31 4.61 0.00 -0.97 -4.90 121.76 123.53 1oop s ALA 235 Ca 0.00 1.19 -0.29 0.00 0.00 0.00 0.00 51.96 52.85 1oop s ALA 235 Cb 0.00 -3.51 -0.11 0.00 0.00 0.00 0.00 23.12 19.50 1oop s ALA 235 CO 0.00 -1.24 1.44 -0.08 0.00 0.00 0.00 175.76 175.88 1oop s THR 236 N -1.41 2.44 -2.04 0.00 -1.32 -1.26 -4.89 115.64 107.16 1oop s THR 236 Ca 0.73 0.40 0.24 0.00 -1.21 0.00 0.00 61.69 61.85 1oop s THR 236 Cb -0.36 -3.26 0.09 0.00 -1.51 0.00 0.00 72.50 67.47 1oop s THR 236 CO 0.41 0.08 1.24 0.35 -2.21 0.00 0.00 174.62 174.50 1oop n THR 237 N 1.44 0.00 -3.34 5.08 -2.24 -1.26 -4.80 114.28 109.16 1oop n THR 237 Ca 0.04 -0.24 -0.46 0.00 -2.27 0.00 0.00 64.05 61.12 1oop n THR 237 Cb 0.40 1.02 -0.05 0.00 -2.10 0.00 0.00 70.33 69.61 1oop n THR 237 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1oop s TYR 238 N -2.44 3.39 -0.49 4.78 1.51 -1.26 -4.94 117.35 117.90 1oop s TYR 238 Ca 0.21 -1.52 0.04 0.00 -1.01 0.00 0.00 57.07 54.79 1oop s TYR 238 Cb 0.19 -3.78 0.13 0.00 -0.11 0.00 0.00 41.96 38.38 1oop s TYR 238 CO 0.54 -1.01 0.23 0.08 -1.11 0.00 0.00 175.55 174.27 1oop s VAL 239 N 1.22 2.58 0.64 0.71 1.01 -1.26 -5.06 120.40 120.23 1oop s VAL 239 Ca 0.07 -3.13 -0.12 0.00 0.00 0.00 0.00 61.98 58.80 1oop s VAL 239 Cb -0.25 -2.81 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 1oop s VAL 239 CO -0.00 -0.77 1.04 -2.16 0.00 0.00 0.00 175.10 173.21 1oop s PRO 240 N -0.06 3.33 -0.18 2.72 0.04 -1.26 -0.64 135.00 138.94 1oop s PRO 240 Ca 0.16 0.90 0.00 0.00 0.04 0.00 0.00 61.00 62.10 1oop s PRO 240 Cb -0.24 -2.04 0.04 0.00 0.04 0.00 0.00 34.50 32.29 1oop s PRO 240 CO -0.02 -0.79 -0.09 0.42 0.04 0.00 0.00 177.00 176.57 1oop s ILE 241 N -3.01 1.45 0.05 0.56 1.01 0.89 -4.51 121.20 117.64 1oop s ILE 241 Ca 0.57 -0.84 0.03 0.00 0.00 0.00 0.00 60.65 60.42 1oop s ILE 241 Cb -0.13 -1.55 -0.04 0.00 0.01 0.00 0.00 42.46 40.76 1oop s ILE 241 CO 0.51 0.18 0.00 -0.89 0.00 0.00 0.00 174.94 174.74 1oop s THR 242 N 1.49 4.07 -0.19 2.92 2.01 -0.04 -1.96 115.64 123.94 1oop s THR 242 Ca 0.00 -0.82 0.01 0.00 0.31 0.00 0.00 61.69 61.19 1oop s THR 242 Cb -0.16 -2.89 0.03 0.00 0.01 0.00 0.00 72.50 69.50 1oop s THR 242 CO -0.08 0.23 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.26 1oop s VAL 243 N -1.21 1.70 -0.13 3.82 1.01 -1.26 0.18 120.40 124.51 1oop s VAL 243 Ca 0.23 -0.93 -0.00 0.00 0.00 0.00 0.00 61.98 61.28 1oop s VAL 243 Cb -0.12 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 1oop s VAL 243 CO 0.15 0.29 -0.13 -0.89 0.00 0.00 0.00 175.10 174.51 1oop s THR 244 N 1.39 3.01 0.04 3.92 2.01 -0.46 -0.93 115.64 124.61 1oop s THR 244 Ca 0.01 -0.68 0.05 0.00 0.31 0.00 0.00 61.69 61.38 1oop s THR 244 Cb -0.15 -2.26 -0.02 0.00 0.01 0.00 0.00 72.50 70.08 1oop s THR 244 CO -0.09 0.52 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.53 1oop s VAL 245 N 0.37 1.08 -0.08 3.82 1.01 0.04 -0.50 120.40 126.14 1oop s VAL 245 Ca -0.11 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 60.90 1oop s VAL 245 Cb -0.16 -0.98 0.02 0.00 0.00 0.00 0.00 36.38 35.26 1oop s VAL 245 CO 0.06 0.01 -0.06 0.00 0.00 0.00 0.00 175.10 175.10 1oop s ALA 246 N -0.83 1.01 0.65 5.51 0.00 0.03 -0.30 121.76 127.83 1oop s ALA 246 Ca 0.01 -0.31 -0.16 0.00 0.00 0.00 0.00 51.96 51.50 1oop s ALA 246 Cb -0.08 -0.69 -0.01 0.00 0.00 0.00 0.00 23.12 22.34 1oop s ALA 246 CO 0.01 -0.23 1.16 -2.14 0.00 0.00 0.00 175.76 174.55 1oop s PRO 247 N 1.39 2.75 -0.04 0.00 0.02 -1.25 -0.74 135.00 137.14 1oop s PRO 247 Ca -0.02 1.60 0.00 0.00 0.02 0.00 0.00 61.00 62.60 1oop s PRO 247 Cb -0.13 -1.93 0.03 0.00 0.02 0.00 0.00 34.50 32.49 1oop s PRO 247 CO -0.03 -1.33 -0.01 -1.64 -0.33 0.00 0.00 177.00 173.66 1oop s MET 248 N -3.77 0.44 -1.24 5.54 -1.94 0.46 -4.13 119.30 114.65 1oop s MET 248 Ca 0.72 0.04 -0.01 0.00 -1.71 0.00 0.00 55.69 54.73 1oop s MET 248 Cb -0.25 -0.59 0.00 0.00 2.01 0.00 0.00 34.83 36.00 1oop s MET 248 CO 0.38 -0.14 0.97 0.00 -0.01 0.00 0.00 175.02 176.22 1oop s ALA 250 N -3.41 3.21 0.07 0.00 0.00 -1.26 -4.45 121.76 115.93 1oop s ALA 250 Ca 0.07 0.44 0.04 0.00 0.00 0.00 0.00 51.96 52.50 1oop s ALA 250 Cb -0.03 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 1oop s ALA 250 CO 0.75 -0.21 -0.10 -1.21 0.00 0.00 0.00 175.76 174.98 1oop s GLU 251 N 1.00 0.75 0.09 0.00 2.02 -0.75 -4.35 118.70 117.47 1oop s GLU 251 Ca 0.48 -1.00 0.03 0.00 0.02 0.00 0.00 54.97 54.50 1oop s GLU 251 Cb -0.20 -0.54 -0.04 0.00 0.10 0.00 0.00 34.13 33.46 1oop s GLU 251 CO 0.25 0.10 -0.09 0.71 0.02 0.00 0.00 175.26 176.25 1oop s TYR 252 N -1.87 0.97 0.07 1.61 2.02 -0.91 -1.20 117.35 118.04 1oop s TYR 252 Ca -0.01 -0.73 -0.08 0.00 -0.37 0.00 0.00 57.07 55.88 1oop s TYR 252 Cb -0.06 -0.54 -0.01 0.00 -0.40 0.00 0.00 41.96 40.95 1oop s TYR 252 CO 0.01 -0.06 0.16 -0.80 -1.57 0.00 0.00 175.55 173.29 1oop s ASN 253 N -2.60 0.16 -0.30 2.29 -0.87 -0.50 -1.78 114.94 111.34 1oop s ASN 253 Ca 0.07 -0.65 -0.01 0.00 -1.57 0.00 0.00 52.86 50.69 1oop s ASN 253 Cb -0.01 0.31 -0.01 0.00 -0.02 0.00 0.00 41.25 41.52 1oop s ASN 253 CO -0.02 -0.68 0.27 0.61 -2.57 0.00 0.00 177.10 174.72 1oop n GLY 254 N 0.10 -0.23 3.78 0.66 0.00 -1.26 -1.57 105.19 106.66 1oop n GLY 254 Ca -0.16 0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 1oop n GLY 254 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1oop s LEU 255 N -3.21 4.30 0.00 0.99 2.96 -1.26 -0.77 118.68 121.69 1oop s LEU 255 Ca 0.07 1.84 0.00 0.00 -0.22 0.00 0.00 54.13 55.82 1oop s LEU 255 Cb -0.01 -4.07 0.00 0.00 0.50 0.00 0.00 46.19 42.61 1oop s LEU 255 CO 0.25 -0.12 0.00 -2.11 -1.32 0.00 0.00 176.35 173.06 1oop n ARG 256 N 0.43 0.00 -0.95 1.98 1.85 -0.58 -4.96 116.66 114.42 1oop n ARG 256 Ca 0.03 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 56.59 1oop n ARG 256 Cb 0.50 0.00 0.22 0.00 -1.05 0.00 0.00 32.46 32.13 1oop n ARG 256 CO 0.00 0.00 0.00 -0.48 -0.01 0.00 0.00 177.63 177.14 1oop s LEU 257 N 0.00 0.98 0.37 2.89 2.34 -1.26 -4.72 118.68 119.28 1oop s LEU 257 Ca 0.00 1.11 0.04 0.00 0.06 0.00 0.00 54.13 55.33 1oop s LEU 257 Cb 0.00 -3.06 -0.01 0.00 -0.56 0.00 0.00 46.19 42.56 1oop s LEU 257 CO 0.00 -3.78 0.53 0.00 -1.06 0.00 0.00 176.35 172.04 1oop s ALA 258 N -2.81 4.01 0.00 1.48 0.00 -1.26 -4.60 121.76 118.58 1oop s ALA 258 Ca 0.67 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 51.37 1oop s ALA 258 Cb -0.18 -1.87 0.00 0.00 0.00 0.00 0.00 23.12 21.07 1oop s ALA 258 CO 0.59 -0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.63 1oop n GLY 259 N -1.78 0.44 1.72 0.00 0.00 -1.19 -4.99 105.19 99.39 1oop n GLY 259 Ca -0.01 -2.25 -0.11 0.00 0.00 0.00 0.00 46.02 43.65 1oop n GLY 259 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1oop n LYS 260 N -0.22 1.07 0.00 1.61 5.02 -1.26 -4.85 118.16 119.53 1oop n LYS 260 Ca 0.00 -1.52 0.00 0.00 -2.02 0.00 0.00 58.31 54.77 1oop n LYS 260 Cb 0.00 0.11 0.00 0.00 -0.02 0.00 0.00 35.03 35.12 1oop n LYS 260 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82