#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mqt s TYR 9 N 0.00 -0.10 -0.14 1.61 -0.85 -1.26 -5.17 117.35 111.45 1mqt s TYR 9 Ca 0.00 -0.28 -0.10 0.00 -0.52 0.00 0.00 57.07 56.17 1mqt s TYR 9 Cb 0.00 0.68 0.05 0.00 0.38 0.00 0.00 41.96 43.06 1mqt s TYR 9 CO 0.00 -0.98 0.35 0.45 -1.52 0.00 0.00 175.55 173.86 1mqt s SER 10 N -3.01 -0.41 0.00 -0.18 0.15 -1.26 -5.02 113.70 103.98 1mqt s SER 10 Ca 0.13 0.75 0.00 0.00 0.70 0.00 0.00 55.95 57.53 1mqt s SER 10 Cb -0.03 0.68 0.00 0.00 -1.71 0.00 0.00 66.02 64.96 1mqt s SER 10 CO 0.04 -0.16 0.52 0.47 1.20 0.00 0.00 173.24 175.31 1mqt n ASP 11 N 3.73 1.55 -0.01 5.45 8.00 -1.26 0.09 116.55 134.10 1mqt n ASP 11 Ca -0.20 -1.07 -0.01 0.00 0.71 0.00 0.00 54.79 54.23 1mqt n ASP 11 Cb 0.56 -0.27 -0.00 0.00 -0.02 0.00 0.00 41.12 41.39 1mqt n ASP 11 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1mqt n ARG 12 N 0.71 0.02 -1.00 -1.24 5.12 -1.26 -4.25 116.66 114.75 1mqt n ARG 12 Ca 0.00 0.01 -0.34 0.00 -1.93 0.00 0.00 57.85 55.59 1mqt n ARG 12 Cb 0.26 -0.80 0.10 0.00 -1.16 0.00 0.00 32.46 30.86 1mqt n ARG 12 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1mqt n VAL 13 N -2.77 0.85 0.00 1.55 0.31 0.11 -3.08 118.33 115.31 1mqt n VAL 13 Ca -0.02 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 1mqt n VAL 13 Cb 0.52 -0.70 0.00 0.00 -0.91 0.00 0.00 33.84 32.75 1mqt n VAL 13 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1mqt n ARG 14 N -1.37 0.00 -3.78 5.55 3.00 -0.55 -4.82 116.66 114.69 1mqt n ARG 14 Ca 0.08 0.00 -0.28 0.00 -0.00 0.00 0.00 57.85 57.65 1mqt n ARG 14 Cb 0.52 0.00 -0.16 0.00 0.00 0.00 0.00 32.46 32.82 1mqt n ARG 14 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1mqt s SER 15 N 0.00 3.16 -0.14 6.15 0.15 -1.26 0.96 113.70 122.73 1mqt s SER 15 Ca 0.00 -0.94 -0.02 0.00 0.70 0.00 0.00 55.95 55.70 1mqt s SER 15 Cb 0.00 -0.73 -0.02 0.00 -1.71 0.00 0.00 66.02 63.56 1mqt s SER 15 CO 0.00 -0.30 -0.08 -0.63 1.20 0.00 0.00 173.24 173.43 1mqt s ILE 16 N 1.75 3.48 -0.05 6.45 1.09 0.83 -4.94 121.20 129.81 1mqt s ILE 16 Ca -0.02 -0.51 0.02 0.00 -1.10 0.00 0.00 60.65 59.04 1mqt s ILE 16 Cb -0.17 -2.50 0.02 0.00 -1.06 0.00 0.00 42.46 38.75 1mqt s ILE 16 CO -0.08 0.51 -0.08 -0.89 -0.10 0.00 0.00 174.94 174.30 1mqt s THR 17 N 0.34 0.78 -0.23 2.92 2.01 -1.26 0.13 115.64 120.33 1mqt s THR 17 Ca -0.07 -0.28 -0.03 0.00 0.31 0.00 0.00 61.69 61.62 1mqt s THR 17 Cb -0.15 -0.75 0.10 0.00 0.01 0.00 0.00 72.50 71.71 1mqt s THR 17 CO 0.04 0.27 0.21 -0.76 -0.69 0.00 0.00 174.62 173.70 1mqt s LEU 18 N 0.75 -0.01 0.00 4.42 1.43 -0.75 -5.02 118.68 119.50 1mqt s LEU 18 Ca -0.12 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.47 1mqt s LEU 18 Cb -0.15 0.25 0.00 0.00 0.03 0.00 0.00 46.19 46.33 1mqt s LEU 18 CO 0.02 -0.36 0.00 0.61 0.23 0.00 0.00 176.35 176.85 1mqt n GLY 19 N 5.30 0.75 0.67 -3.19 0.00 -1.26 -2.80 105.19 104.67 1mqt n GLY 19 Ca -0.05 -0.63 0.13 0.00 0.00 0.00 0.00 46.02 45.47 1mqt n GLY 19 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1mqt n ASN 20 N 7.05 2.08 -4.86 1.61 2.04 -1.26 -4.93 115.26 116.99 1mqt n ASN 20 Ca 0.00 -1.71 -0.31 0.00 -0.44 0.00 0.00 54.58 52.12 1mqt n ASN 20 Cb 0.00 -0.04 -0.05 0.00 -2.53 0.00 0.00 39.78 37.16 1mqt n ASN 20 CO 0.00 0.00 0.00 -0.94 -0.44 0.00 0.00 177.26 175.88 1mqt s SER 21 N -1.89 6.05 -0.08 0.53 1.04 -1.12 -5.06 113.70 113.18 1mqt s SER 21 Ca 0.35 0.18 -0.05 0.00 0.48 0.00 0.00 55.95 56.90 1mqt s SER 21 Cb 0.20 -1.79 0.03 0.00 0.10 0.00 0.00 66.02 64.56 1mqt s SER 21 CO 0.31 0.18 0.19 -0.89 0.98 0.00 0.00 173.24 174.01 1mqt s THR 22 N -1.44 -0.02 -0.07 2.02 2.01 -1.26 -1.81 115.64 115.07 1mqt s THR 22 Ca 0.32 0.08 0.02 0.00 0.31 0.00 0.00 61.69 62.42 1mqt s THR 22 Cb -0.13 -0.28 -0.02 0.00 0.01 0.00 0.00 72.50 72.08 1mqt s THR 22 CO 0.24 0.03 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.46 1mqt s ILE 23 N 0.67 3.20 0.02 1.82 -1.09 0.34 -4.95 121.20 121.21 1mqt s ILE 23 Ca -0.05 -0.66 0.08 0.00 -2.23 0.00 0.00 60.65 57.79 1mqt s ILE 23 Cb -0.06 -2.29 -0.02 0.00 -1.58 0.00 0.00 42.46 38.51 1mqt s ILE 23 CO -0.04 0.58 -0.23 0.42 -1.23 0.00 0.00 174.94 174.44 1mqt s THR 24 N -0.51 1.87 -0.28 2.92 -4.23 -1.25 -0.12 115.64 114.04 1mqt s THR 24 Ca 0.07 -1.17 0.01 0.00 -1.18 0.00 0.00 61.69 59.41 1mqt s THR 24 Cb -0.12 -1.59 0.08 0.00 1.34 0.00 0.00 72.50 72.22 1mqt s THR 24 CO 0.02 0.37 0.02 -0.89 -0.54 0.00 0.00 174.62 173.60 1mqt s THR 25 N -0.70 1.43 -0.79 3.99 2.01 0.27 -4.95 115.64 116.90 1mqt s THR 25 Ca 0.09 -1.48 0.26 0.00 0.31 0.00 0.00 61.69 60.88 1mqt s THR 25 Cb -0.09 -1.90 0.17 0.00 0.01 0.00 0.00 72.50 70.68 1mqt s THR 25 CO 0.01 -0.39 1.62 0.00 -0.69 0.00 0.00 174.62 175.16 1mqt n GLN 26 N 4.66 0.18 -3.33 4.92 1.13 -1.26 -1.49 117.38 122.19 1mqt n GLN 26 Ca -0.05 0.10 -0.08 0.00 -1.94 0.00 0.00 57.00 55.03 1mqt n GLN 26 Cb 0.43 -1.67 -0.07 0.00 0.11 0.00 0.00 30.24 29.04 1mqt n GLN 26 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1mqt s GLU 27 N -3.09 0.37 0.29 -1.09 2.02 -1.23 -4.39 118.70 111.59 1mqt s GLU 27 Ca 0.10 0.55 -0.03 0.00 0.02 0.00 0.00 54.97 55.61 1mqt s GLU 27 Cb 0.15 -0.40 -0.01 0.00 0.10 0.00 0.00 34.13 33.96 1mqt s GLU 27 CO 0.64 -0.66 0.38 0.00 0.02 0.00 0.00 175.26 175.64 1mqt n ALA 29 N -0.48 0.00 -3.00 0.00 0.00 -1.26 -4.25 120.51 111.52 1mqt n ALA 29 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1mqt n ALA 29 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 1mqt n ALA 29 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1mqt n ASN 30 N -0.33 0.00 -3.61 0.00 5.03 -1.26 -4.59 115.26 110.49 1mqt n ASN 30 Ca 0.00 0.00 -0.22 0.00 0.87 0.00 0.00 54.58 55.23 1mqt n ASN 30 Cb 0.00 0.00 -0.16 0.00 -1.02 0.00 0.00 39.78 38.60 1mqt n ASN 30 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1mqt s VAL 31 N 1.82 -0.15 0.18 2.41 1.01 -1.26 -4.70 120.40 119.72 1mqt s VAL 31 Ca 0.00 0.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.73 1mqt s VAL 31 Cb 0.00 -0.46 -0.08 0.00 0.00 0.00 0.00 36.38 35.85 1mqt s VAL 31 CO 0.00 -0.11 1.13 -0.69 0.00 0.00 0.00 175.10 175.43 1mqt s VAL 32 N 2.19 3.77 -0.30 2.92 1.01 -0.81 -4.96 120.40 124.22 1mqt s VAL 32 Ca 0.04 1.52 -0.00 0.00 0.00 0.00 0.00 61.98 63.54 1mqt s VAL 32 Cb -0.15 -3.97 0.06 0.00 0.00 0.00 0.00 36.38 32.32 1mqt s VAL 32 CO -0.08 0.26 -0.01 -0.69 0.00 0.00 0.00 175.10 174.58 1mqt s VAL 33 N -0.21 2.72 0.00 2.92 1.01 -1.26 -1.12 120.40 124.45 1mqt s VAL 33 Ca 0.50 -1.59 0.00 0.00 0.00 0.00 0.00 61.98 60.89 1mqt s VAL 33 Cb -0.30 -2.63 0.00 0.00 0.00 0.00 0.00 36.38 33.44 1mqt s VAL 33 CO 0.36 -0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.90 1mqt n GLY 34 N 4.53 0.00 2.36 4.51 0.00 0.44 -0.20 105.19 116.84 1mqt n GLY 34 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 1mqt n GLY 34 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1mqt n TYR 35 N 0.00 3.18 0.00 1.61 4.01 -1.26 -4.71 117.16 119.98 1mqt n TYR 35 Ca 0.00 -2.90 0.00 0.00 -0.16 0.00 0.00 57.90 54.84 1mqt n TYR 35 Cb 0.00 -1.32 0.00 0.00 -0.31 0.00 0.00 39.34 37.71 1mqt n TYR 35 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1mqt n GLY 36 N -0.86 2.28 3.67 2.72 0.00 0.72 -5.00 105.19 108.72 1mqt n GLY 36 Ca 0.60 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.22 1mqt n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mqt s VAL 37 N -2.34 5.02 -0.10 1.61 1.01 -1.26 -5.05 120.40 119.30 1mqt s VAL 37 Ca 0.00 1.24 -0.16 0.00 0.00 0.00 0.00 61.98 63.07 1mqt s VAL 37 Cb 0.00 -3.97 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 1mqt s VAL 37 CO 0.00 0.14 0.39 0.86 0.00 0.00 0.00 175.10 176.49 1mqt s TRP 38 N 1.69 3.56 0.54 5.22 -0.11 -1.26 -4.39 118.94 124.19 1mqt s TRP 38 Ca 0.31 0.82 -0.20 0.00 1.22 0.00 0.00 56.10 58.25 1mqt s TRP 38 Cb -0.16 -2.40 -0.07 0.00 -1.50 0.00 0.00 33.47 29.34 1mqt s TRP 38 CO 0.12 0.34 0.88 -0.35 -4.62 0.00 0.00 176.95 173.32 1mqt n PRO 39 N 3.08 0.94 -3.54 5.86 -0.04 -1.26 -5.02 135.00 135.02 1mqt n PRO 39 Ca -0.11 0.36 -0.09 0.00 -0.04 0.00 0.00 63.50 63.62 1mqt n PRO 39 Cb 0.52 -2.03 -0.03 0.00 -0.04 0.00 0.00 33.50 31.91 1mqt n PRO 39 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mqt s ALA 40 N -1.49 -1.89 0.33 0.55 0.00 -1.26 -5.01 121.76 112.99 1mqt s ALA 40 Ca 0.71 1.32 -0.29 0.00 0.00 0.00 0.00 51.96 53.69 1mqt s ALA 40 Cb -0.46 -0.11 -0.11 0.00 0.00 0.00 0.00 23.12 22.43 1mqt s ALA 40 CO 0.51 -0.52 1.55 0.66 0.00 0.00 0.00 175.76 177.96 1mqt n TYR 41 N 0.19 2.92 -1.68 0.00 4.01 -1.26 -4.92 117.16 116.43 1mqt n TYR 41 Ca -0.08 0.34 -0.46 0.00 -0.16 0.00 0.00 57.90 57.53 1mqt n TYR 41 Cb 0.60 -2.57 -0.04 0.00 -0.31 0.00 0.00 39.34 37.02 1mqt n TYR 41 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 1mqt n LEU 42 N 1.36 3.41 -4.81 7.72 7.94 -1.26 -4.98 117.00 126.38 1mqt n LEU 42 Ca 0.05 1.01 -0.33 0.00 -1.11 0.00 0.00 56.01 55.64 1mqt n LEU 42 Cb 0.38 -1.42 -0.01 0.00 0.53 0.00 0.00 43.42 42.90 1mqt n LEU 42 CO 0.64 -0.11 0.71 -0.54 -1.11 0.00 0.00 177.39 176.98 1mqt s LYS 43 N 2.72 3.52 0.67 1.96 1.02 -1.26 -4.94 119.74 123.43 1mqt s LYS 43 Ca 0.86 1.17 0.44 0.00 0.02 0.00 0.00 55.97 58.46 1mqt s LYS 43 Cb -0.65 -2.06 2.41 0.00 -0.52 0.00 0.00 37.83 37.01 1mqt s LYS 43 CO 0.44 -0.64 2.37 -0.44 -0.92 0.00 0.00 175.35 176.16 1mqt h ASP 44 N 0.69 0.00 1.57 2.83 3.32 -1.97 -1.67 116.42 121.19 1mqt h ASP 44 Ca -0.47 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.52 1mqt h ASP 44 Cb 1.21 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 1mqt h ASP 44 CO 0.58 0.00 -0.44 -0.33 -1.72 0.00 0.00 179.24 177.33 1mqt h GLU 45 N 0.00 0.00 -0.24 3.56 3.07 -2.02 -3.30 114.58 115.65 1mqt h GLU 45 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1mqt h GLU 45 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1mqt h GLU 45 CO -0.00 0.22 0.00 0.39 -1.40 0.00 0.00 179.01 178.22 1mqt n GLU 46 N -3.08 1.95 -3.23 2.33 1.02 -0.65 -5.02 120.64 113.95 1mqt n GLU 46 Ca 0.02 -1.83 -0.28 0.00 -0.02 0.00 0.00 57.16 55.04 1mqt n GLU 46 Cb 0.64 -1.34 -0.03 0.00 -0.02 0.00 0.00 31.44 30.69 1mqt n GLU 46 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1mqt s ALA 47 N -1.17 3.59 0.00 0.62 0.00 -1.10 -4.70 121.76 119.00 1mqt s ALA 47 Ca 0.25 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.64 1mqt s ALA 47 Cb 0.15 -2.34 0.00 0.00 0.00 0.00 0.00 23.12 20.93 1mqt s ALA 47 CO 0.21 0.13 0.00 2.41 0.00 0.00 0.00 175.76 178.51 1mqt n THR 48 N -1.21 0.00 -1.67 0.00 -1.04 -1.26 -5.01 114.28 104.09 1mqt n THR 48 Ca -0.02 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.57 1mqt n THR 48 Cb 0.54 -1.09 -0.03 0.00 -1.82 0.00 0.00 70.33 67.94 1mqt n THR 48 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1mqt n ALA 49 N -2.76 1.72 0.44 2.41 0.00 -1.26 -4.87 120.51 116.19 1mqt n ALA 49 Ca 0.00 0.24 0.12 0.00 0.00 0.00 0.00 53.44 53.80 1mqt n ALA 49 Cb 0.40 -2.66 0.20 0.00 0.00 0.00 0.00 19.45 17.39 1mqt n ALA 49 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1mqt h GLU 50 N 10.11 0.00 -7.18 0.00 5.08 -2.04 -3.47 114.58 117.08 1mqt h GLU 50 Ca -0.49 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.38 1mqt h GLU 50 Cb 1.24 0.00 0.06 0.00 0.50 0.00 0.00 28.75 30.55 1mqt h GLU 50 CO 0.94 0.00 0.38 0.16 -1.00 0.00 0.00 179.01 179.49 1mqt s ASP 51 N -4.87 5.78 0.11 1.42 -4.77 -1.26 -4.98 116.67 108.11 1mqt s ASP 51 Ca 0.06 1.85 -0.30 0.00 -3.30 0.00 0.00 52.55 50.85 1mqt s ASP 51 Cb 0.11 -2.54 -0.07 0.00 -1.09 0.00 0.00 42.92 39.33 1mqt s ASP 51 CO 0.69 -1.17 1.22 -1.58 0.70 0.00 0.00 175.17 175.03 1mqt s GLN 52 N -3.99 4.44 0.65 2.11 0.74 -1.26 -4.98 119.66 117.37 1mqt s GLN 52 Ca 0.64 1.84 -0.11 0.00 0.05 0.00 0.00 55.36 57.78 1mqt s GLN 52 Cb -0.17 -3.30 -0.02 0.00 1.10 0.00 0.00 33.01 30.62 1mqt s GLN 52 CO 0.36 -0.21 1.05 -1.25 -0.55 0.00 0.00 175.29 174.68 1mqt s PRO 53 N 0.60 3.36 -0.13 1.67 0.04 -1.26 -4.90 135.00 134.39 1mqt s PRO 53 Ca 0.57 0.66 -0.05 0.00 0.04 0.00 0.00 61.00 62.22 1mqt s PRO 53 Cb -0.31 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.13 1mqt s PRO 53 CO 0.32 -0.72 0.06 0.99 0.04 0.00 0.00 177.00 177.69 1mqt s THR 54 N -3.23 4.79 -0.62 1.26 2.01 -0.78 -4.89 115.64 114.17 1mqt s THR 54 Ca 0.56 -0.05 0.05 0.00 0.31 0.00 0.00 61.69 62.55 1mqt s THR 54 Cb -0.11 -3.08 0.17 0.00 0.01 0.00 0.00 72.50 69.49 1mqt s THR 54 CO 0.53 0.56 0.47 0.00 -0.69 0.00 0.00 174.62 175.49 1mqt n GLN 55 N 2.54 1.40 -0.32 4.92 6.02 -1.26 -2.25 117.38 128.43 1mqt n GLN 55 Ca -0.18 -4.12 0.18 0.00 -0.01 0.00 0.00 57.00 52.86 1mqt n GLN 55 Cb 0.54 -2.10 0.35 0.00 1.02 0.00 0.00 30.24 30.05 1mqt n GLN 55 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1mqt h PRO 56 N 5.38 0.11 0.00 -1.09 0.11 -1.98 -3.46 132.00 131.06 1mqt h PRO 56 Ca 0.18 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1mqt h PRO 56 Cb 0.79 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1mqt h PRO 56 CO 0.62 0.07 0.00 -3.47 -0.21 0.00 0.00 178.00 175.01 1mqt n ASP 57 N -5.31 0.00 -0.32 -2.05 2.03 -1.26 -3.54 116.55 106.09 1mqt n ASP 57 Ca 0.26 0.00 0.16 0.00 0.52 0.00 0.00 54.79 55.73 1mqt n ASP 57 Cb 0.84 0.00 0.35 0.00 -0.72 0.00 0.00 41.12 41.59 1mqt n ASP 57 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1mqt h VAL 58 N 0.00 0.47 0.00 5.18 2.07 -1.89 0.79 116.25 122.87 1mqt h VAL 58 Ca 0.00 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 1mqt h VAL 58 Cb 0.00 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 29.75 1mqt h VAL 58 CO 0.00 0.08 -0.04 0.00 0.02 0.00 0.00 177.57 177.63 1mqt h ALA 59 N 1.74 1.33 0.00 1.67 0.00 -1.96 -3.34 119.26 118.70 1mqt h ALA 59 Ca 0.61 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.48 1mqt h ALA 59 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1mqt h ALA 59 CO -0.52 0.05 -0.93 -2.37 0.00 0.00 0.00 179.25 175.48 1mqt n THR 60 N -3.62 0.00 -2.45 0.00 5.66 0.27 -4.45 114.28 109.69 1mqt n THR 60 Ca -0.02 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.55 1mqt n THR 60 Cb 0.14 -0.49 0.00 0.00 -1.55 0.00 0.00 70.33 68.43 1mqt n THR 60 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1mqt n ARG 62 N 7.43 0.54 -3.10 0.00 1.85 -1.25 -4.29 116.66 117.83 1mqt n ARG 62 Ca 0.48 -3.00 -0.43 0.00 -1.00 0.00 0.00 57.85 53.90 1mqt n ARG 62 Cb 0.44 2.66 -0.07 0.00 -1.05 0.00 0.00 32.46 34.44 1mqt n ARG 62 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1mqt s PHE 63 N -3.13 3.06 -0.19 2.89 0.08 -1.26 -3.60 117.98 115.83 1mqt s PHE 63 Ca 0.34 -0.05 -0.10 0.00 0.12 0.00 0.00 56.93 57.24 1mqt s PHE 63 Cb 0.00 -3.36 -0.05 0.00 -0.57 0.00 0.00 43.02 39.05 1mqt s PHE 63 CO 0.24 -0.87 0.12 0.71 -0.10 0.00 0.00 175.22 175.32 1mqt s TYR 64 N 2.83 3.40 -0.40 0.36 2.02 0.66 -4.93 117.35 121.29 1mqt s TYR 64 Ca 0.23 0.30 -0.05 0.00 -0.37 0.00 0.00 57.07 57.18 1mqt s TYR 64 Cb -0.14 -2.14 0.09 0.00 -0.40 0.00 0.00 41.96 39.37 1mqt s TYR 64 CO 0.19 0.29 0.21 0.99 -1.57 0.00 0.00 175.55 175.66 1mqt s THR 65 N 0.30 3.64 1.27 -0.71 2.01 -1.26 -0.62 115.64 120.27 1mqt s THR 65 Ca 0.08 -1.73 -0.17 0.00 0.31 0.00 0.00 61.69 60.18 1mqt s THR 65 Cb -0.11 -3.34 0.29 0.00 0.01 0.00 0.00 72.50 69.35 1mqt s THR 65 CO -0.02 -0.56 0.77 0.18 -0.69 0.00 0.00 174.62 174.31 1mqt n LEU 66 N 4.73 -1.47 -4.77 4.42 4.77 -0.70 -4.94 117.00 119.04 1mqt n LEU 66 Ca -0.07 -0.42 -0.39 0.00 -0.03 0.00 0.00 56.01 55.10 1mqt n LEU 66 Cb 0.42 -1.09 -0.00 0.00 -2.33 0.00 0.00 43.42 40.41 1mqt n LEU 66 CO 0.35 -3.72 0.93 -0.70 -1.33 0.00 0.00 177.39 172.92 1mqt s GLU 67 N -4.39 3.91 0.89 3.23 2.12 -1.26 -4.63 118.70 118.57 1mqt s GLU 67 Ca 0.64 2.08 -0.13 0.00 0.36 0.00 0.00 54.97 57.92 1mqt s GLU 67 Cb -0.18 -2.69 0.13 0.00 0.26 0.00 0.00 34.13 31.65 1mqt s GLU 67 CO 0.61 -0.52 1.19 -1.12 -0.54 0.00 0.00 175.26 174.88 1mqt s SER 68 N -0.86 3.79 0.00 -1.70 0.01 -1.26 -4.65 113.70 109.02 1mqt s SER 68 Ca 0.58 0.75 -0.05 0.00 1.31 0.00 0.00 55.95 58.55 1mqt s SER 68 Cb -0.36 -1.19 -0.00 0.00 0.21 0.00 0.00 66.02 64.67 1mqt s SER 68 CO 0.46 -2.36 0.09 0.54 0.41 0.00 0.00 173.24 172.38 1mqt s VAL 69 N -3.50 0.08 -0.16 3.43 0.11 -0.62 -4.97 120.40 114.77 1mqt s VAL 69 Ca 0.65 -0.65 -0.14 0.00 -2.93 0.00 0.00 61.98 58.91 1mqt s VAL 69 Cb -0.11 -0.34 -0.05 0.00 -1.53 0.00 0.00 36.38 34.35 1mqt s VAL 69 CO 0.51 -0.36 0.31 -0.04 -3.33 0.00 0.00 175.10 172.20 1mqt s MET 70 N -1.18 4.26 0.07 1.54 -1.94 -1.26 -0.53 119.30 120.25 1mqt s MET 70 Ca -0.13 0.12 -0.20 0.00 -1.71 0.00 0.00 55.69 53.78 1mqt s MET 70 Cb -0.07 -3.43 -0.07 0.00 2.01 0.00 0.00 34.83 33.27 1mqt s MET 70 CO 0.01 0.22 0.58 -0.46 -0.01 0.00 0.00 175.02 175.36 1mqt s TRP 71 N 0.51 3.80 0.24 -0.03 -0.11 0.09 -4.95 118.94 118.48 1mqt s TRP 71 Ca 0.17 1.28 0.01 0.00 1.22 0.00 0.00 56.10 58.78 1mqt s TRP 71 Cb -0.13 -2.52 -0.05 0.00 -1.50 0.00 0.00 33.47 29.27 1mqt s TRP 71 CO 0.04 0.56 0.09 -0.65 -4.62 0.00 0.00 176.95 172.37 1mqt s GLN 72 N -1.00 1.33 0.14 5.86 -0.21 -1.26 -4.27 119.66 120.26 1mqt s GLN 72 Ca 0.29 -1.71 0.14 0.00 0.02 0.00 0.00 55.36 54.10 1mqt s GLN 72 Cb -0.19 -0.14 0.66 0.00 1.00 0.00 0.00 33.01 34.33 1mqt s GLN 72 CO 0.19 -0.30 1.43 1.04 -2.12 0.00 0.00 175.29 175.53 1mqt n GLN 73 N -0.40 0.08 -0.00 2.91 6.02 -1.26 -2.42 117.38 122.31 1mqt n GLN 73 Ca -0.00 0.47 0.03 0.00 -0.01 0.00 0.00 57.00 57.49 1mqt n GLN 73 Cb 0.66 -1.71 -0.04 0.00 1.02 0.00 0.00 30.24 30.17 1mqt n GLN 73 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1mqt n GLY 74 N -0.82 -0.01 3.56 1.08 0.00 -1.26 -4.69 105.19 103.05 1mqt n GLY 74 Ca 0.01 -0.15 -0.62 0.00 0.00 0.00 0.00 46.02 45.25 1mqt n GLY 74 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1mqt n SER 75 N -1.50 1.35 0.06 1.61 7.64 -1.02 -4.84 113.62 116.93 1mqt n SER 75 Ca -0.00 0.95 -0.16 0.00 1.01 0.00 0.00 58.87 60.67 1mqt n SER 75 Cb 0.13 -0.96 -0.07 0.00 -1.01 0.00 0.00 64.21 62.30 1mqt n SER 75 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1mqt h PRO 76 N 7.23 0.48 0.00 1.43 0.11 -1.91 -3.43 132.00 135.91 1mqt h PRO 76 Ca -0.32 -0.54 0.00 0.00 0.11 0.00 0.00 66.00 65.25 1mqt h PRO 76 Cb 1.37 0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.64 1mqt h PRO 76 CO 1.01 1.18 0.00 0.41 -0.21 0.00 0.00 178.00 180.39 1mqt n GLY 77 N 1.04 0.34 3.21 -0.55 0.00 -1.26 -4.01 105.19 103.96 1mqt n GLY 77 Ca -0.08 -1.38 -0.10 0.00 0.00 0.00 0.00 46.02 44.46 1mqt n GLY 77 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1mqt s TRP 78 N -1.87 0.73 0.05 1.61 0.51 -0.43 -2.30 118.94 117.24 1mqt s TRP 78 Ca 0.00 -1.09 -0.25 0.00 -2.12 0.00 0.00 56.10 52.63 1mqt s TRP 78 Cb 0.00 -0.35 0.06 0.00 -0.81 0.00 0.00 33.47 32.38 1mqt s TRP 78 CO 0.00 -0.59 0.60 1.67 -0.51 0.00 0.00 176.95 178.12 1mqt s TRP 79 N -4.03 -0.54 -0.05 -1.98 -2.14 -0.76 -0.90 118.94 108.54 1mqt s TRP 79 Ca 0.23 0.65 -0.02 0.00 2.66 0.00 0.00 56.10 59.62 1mqt s TRP 79 Cb 0.06 0.43 0.03 0.00 -3.10 0.00 0.00 33.47 30.90 1mqt s TRP 79 CO 0.02 -0.70 0.08 -1.58 -2.66 0.00 0.00 176.95 172.11 1mqt s TRP 80 N -2.43 -0.01 0.69 1.66 0.51 -0.03 -1.64 118.94 117.70 1mqt s TRP 80 Ca -0.05 0.33 -0.14 0.00 -2.12 0.00 0.00 56.10 54.12 1mqt s TRP 80 Cb -0.01 -0.38 0.02 0.00 -0.81 0.00 0.00 33.47 32.29 1mqt s TRP 80 CO -0.01 -0.19 1.11 0.15 -0.51 0.00 0.00 176.95 177.49 1mqt s LYS 81 N 2.01 2.62 -0.11 4.98 -0.14 -1.26 -1.13 119.74 126.72 1mqt s LYS 81 Ca 0.02 1.33 -0.06 0.00 -1.36 0.00 0.00 55.97 55.90 1mqt s LYS 81 Cb -0.12 -1.93 -0.05 0.00 -1.68 0.00 0.00 37.83 34.05 1mqt s LYS 81 CO -0.04 -1.38 -0.16 1.19 -0.76 0.00 0.00 175.35 174.21 1mqt n PHE 82 N -2.75 0.00 -0.28 3.18 3.01 -0.13 -4.40 117.46 116.09 1mqt n PHE 82 Ca 0.10 0.00 0.17 0.00 1.01 0.00 0.00 57.45 58.73 1mqt n PHE 82 Cb 0.52 -0.41 0.32 0.00 -0.01 0.00 0.00 39.48 39.90 1mqt n PHE 82 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 1mqt n PRO 83 N -3.58 -0.06 -3.96 -1.08 -0.02 -1.26 -3.52 135.00 121.52 1mqt n PRO 83 Ca -0.22 1.20 -0.35 0.00 -2.02 0.00 0.00 63.50 62.11 1mqt n PRO 83 Cb 0.62 -1.98 -0.08 0.00 -0.02 0.00 0.00 33.50 32.03 1mqt n PRO 83 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1mqt s ASP 84 N -4.87 5.92 0.00 2.55 2.15 -1.26 -4.32 116.67 116.83 1mqt s ASP 84 Ca -0.10 0.23 0.00 0.00 0.43 0.00 0.00 52.55 53.11 1mqt s ASP 84 Cb 0.25 -1.96 0.00 0.00 -0.30 0.00 0.00 42.92 40.92 1mqt s ASP 84 CO 0.64 0.27 0.00 0.00 -0.17 0.00 0.00 175.17 175.91 1mqt n ALA 85 N 2.92 0.00 -0.04 3.66 0.00 -1.23 -4.48 120.51 121.34 1mqt n ALA 85 Ca -0.18 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.33 1mqt n ALA 85 Cb 0.53 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.13 1mqt n ALA 85 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1mqt n LEU 86 N 0.00 2.83 0.12 0.00 4.77 -1.26 -3.79 117.00 119.66 1mqt n LEU 86 Ca 0.00 -1.78 0.08 0.00 -0.03 0.00 0.00 56.01 54.28 1mqt n LEU 86 Cb 0.00 -0.20 0.43 0.00 -2.33 0.00 0.00 43.42 41.31 1mqt n LEU 86 CO 0.00 0.68 0.75 -1.54 -1.33 0.00 0.00 177.39 175.95 1mqt n SER 87 N 0.66 0.41 -0.04 -1.43 3.41 -1.26 -1.51 113.62 113.87 1mqt n SER 87 Ca 0.12 0.68 0.05 0.00 -0.26 0.00 0.00 58.87 59.46 1mqt n SER 87 Cb 0.42 -0.74 0.07 0.00 -0.26 0.00 0.00 64.21 63.70 1mqt n SER 87 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1mqt n ASN 88 N -2.05 2.12 -4.43 4.04 3.02 -1.26 -4.55 115.26 112.16 1mqt n ASN 88 Ca -0.01 -2.52 -0.43 0.00 -0.03 0.00 0.00 54.58 51.59 1mqt n ASN 88 Cb 0.04 -0.21 -0.10 0.00 -0.61 0.00 0.00 39.78 38.90 1mqt n ASN 88 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1mqt s MET 89 N -1.90 2.92 0.00 3.52 -1.94 -0.57 -4.92 119.30 116.41 1mqt s MET 89 Ca 0.16 -1.09 0.00 0.00 -1.71 0.00 0.00 55.69 53.05 1mqt s MET 89 Cb 0.14 -3.93 0.00 0.00 2.01 0.00 0.00 34.83 33.04 1mqt s MET 89 CO 0.01 -0.78 0.00 0.41 -0.01 0.00 0.00 175.02 174.66 1mqt n GLY 90 N 5.12 0.82 0.00 -0.03 0.00 -1.26 -1.13 105.19 108.71 1mqt n GLY 90 Ca -0.11 -0.23 0.07 0.00 0.00 0.00 0.00 46.02 45.75 1mqt n GLY 90 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1mqt n LEU 91 N 0.00 0.00 0.12 0.99 4.77 -1.26 -2.63 117.00 118.99 1mqt n LEU 91 Ca 0.00 0.33 -0.06 0.00 -0.03 0.00 0.00 56.01 56.25 1mqt n LEU 91 Cb 0.00 -0.33 -0.03 0.00 -2.33 0.00 0.00 43.42 40.73 1mqt n LEU 91 CO 0.00 -0.17 0.18 0.15 -1.33 0.00 0.00 177.39 176.22 1mqt h PHE 92 N 0.00 -0.35 -1.15 -1.77 3.57 -1.48 -2.43 116.94 113.34 1mqt h PHE 92 Ca 0.00 -0.01 0.33 0.00 3.53 0.00 0.00 57.97 61.82 1mqt h PHE 92 Cb 0.16 0.12 -0.06 0.00 2.79 0.00 0.00 35.95 38.95 1mqt h PHE 92 CO 0.00 -0.22 0.80 0.78 -2.23 0.00 0.00 178.31 177.45 1mqt h GLY 93 N -0.92 0.38 0.53 2.40 0.00 -0.88 -0.61 103.07 103.96 1mqt h GLY 93 Ca -0.04 -0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.21 1mqt h GLY 93 CO 0.06 -0.05 -0.25 1.46 0.00 0.00 0.00 176.54 177.76 1mqt h GLN 94 N 0.11 -0.68 -0.39 4.80 1.08 -1.51 -1.99 115.11 116.52 1mqt h GLN 94 Ca 0.58 0.05 0.11 0.00 -1.45 0.00 0.00 58.65 57.94 1mqt h GLN 94 Cb 2.07 0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 29.64 1mqt h GLN 94 CO -0.10 -0.46 0.47 -0.91 -0.95 0.00 0.00 178.83 176.88 1mqt h ASN 95 N -1.14 0.00 1.19 1.46 2.35 -0.82 0.99 115.58 119.61 1mqt h ASN 95 Ca -0.07 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.61 1mqt h ASN 95 Cb 0.54 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 1mqt h ASN 95 CO 0.12 0.00 -0.33 -0.03 -1.65 0.00 0.00 177.43 175.54 1mqt h MET 96 N 0.00 0.00 0.00 0.81 4.05 -0.88 -2.95 114.93 115.96 1mqt h MET 96 Ca 0.19 0.00 -0.29 0.00 -0.28 0.00 0.00 59.70 59.32 1mqt h MET 96 Cb 1.12 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.86 1mqt h MET 96 CO -0.00 0.33 -1.82 1.04 0.23 0.00 0.00 176.91 176.68 1mqt n GLN 97 N -3.33 0.64 0.00 0.39 6.02 0.33 -4.22 117.38 117.22 1mqt n GLN 97 Ca 0.01 0.21 0.13 0.00 -0.01 0.00 0.00 57.00 57.34 1mqt n GLN 97 Cb 0.56 -1.73 0.41 0.00 1.02 0.00 0.00 30.24 30.50 1mqt n GLN 97 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1mqt n TYR 98 N -2.94 0.00 -4.49 1.08 4.01 -0.71 -2.69 117.16 111.42 1mqt n TYR 98 Ca -0.19 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.25 1mqt n TYR 98 Cb 1.04 -0.28 -0.12 0.00 -0.31 0.00 0.00 39.34 39.66 1mqt n TYR 98 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 1mqt s HIS 99 N -2.85 2.48 0.02 -0.72 3.76 -1.12 -1.86 115.29 115.01 1mqt s HIS 99 Ca 0.16 -0.30 -0.15 0.00 -0.15 0.00 0.00 55.06 54.62 1mqt s HIS 99 Cb 0.18 -1.37 -0.35 0.00 1.11 0.00 0.00 32.58 32.15 1mqt s HIS 99 CO 0.60 0.31 0.97 -0.92 -0.85 0.00 0.00 174.74 174.86 1mqt h TYR 100 N 4.11 0.97 -3.70 1.40 3.20 -0.96 -3.46 116.97 118.53 1mqt h TYR 100 Ca -0.49 -0.71 -0.68 0.00 3.14 0.00 0.00 58.73 59.99 1mqt h TYR 100 Cb 1.16 -0.04 -0.21 0.00 1.54 0.00 0.00 36.73 39.19 1mqt h TYR 100 CO 0.57 1.58 -0.85 -0.51 -1.64 0.00 0.00 178.16 177.31 1mqt s LEU 101 N -7.57 2.42 -0.07 2.82 1.43 -0.82 -3.75 118.68 113.15 1mqt s LEU 101 Ca -0.10 -0.74 -0.29 0.00 -1.03 0.00 0.00 54.13 51.97 1mqt s LEU 101 Cb 0.04 -1.27 0.10 0.00 0.03 0.00 0.00 46.19 45.09 1mqt s LEU 101 CO 0.94 0.17 0.88 -0.83 0.23 0.00 0.00 176.35 177.73 1mqt s GLY 102 N -2.22 -0.41 -0.09 -3.19 0.00 -0.27 -0.96 107.32 100.17 1mqt s GLY 102 Ca 0.16 1.47 -0.14 0.00 0.00 0.00 0.00 44.72 46.22 1mqt s GLY 102 CO 0.08 0.74 0.35 1.09 0.00 0.00 0.00 173.10 175.36 1mqt s ARG 103 N -1.94 0.52 -0.05 2.90 1.70 -0.95 -2.47 118.95 118.68 1mqt s ARG 103 Ca -0.01 0.25 -0.29 0.00 -0.47 0.00 0.00 55.73 55.21 1mqt s ARG 103 Cb -0.01 0.24 0.11 0.00 -0.57 0.00 0.00 34.95 34.73 1mqt s ARG 103 CO -0.01 -0.10 0.92 0.00 -1.08 0.00 0.00 175.30 175.03 1mqt s ALA 104 N -0.37 -1.86 0.56 7.88 0.00 -1.26 -1.63 121.76 125.07 1mqt s ALA 104 Ca -0.05 1.16 0.08 0.00 0.00 0.00 0.00 51.96 53.15 1mqt s ALA 104 Cb -0.03 0.16 0.08 0.00 0.00 0.00 0.00 23.12 23.33 1mqt s ALA 104 CO 0.02 -0.60 0.68 0.41 0.00 0.00 0.00 175.76 176.27 1mqt n GLY 105 N -0.02 2.17 3.30 0.00 0.00 0.50 -4.05 105.19 107.08 1mqt n GLY 105 Ca -0.09 -2.24 -0.11 0.00 0.00 0.00 0.00 46.02 43.58 1mqt n GLY 105 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mqt s TYR 106 N -2.55 -0.16 -0.31 1.61 2.02 0.13 0.15 117.35 118.25 1mqt s TYR 106 Ca 0.52 -0.10 0.02 0.00 -0.37 0.00 0.00 57.07 57.13 1mqt s TYR 106 Cb -0.04 0.19 0.09 0.00 -0.40 0.00 0.00 41.96 41.80 1mqt s TYR 106 CO 0.33 -0.64 0.05 0.99 -1.57 0.00 0.00 175.55 174.71 1mqt s THR 107 N -3.44 1.67 -0.11 -0.71 2.01 -0.62 -1.04 115.64 113.40 1mqt s THR 107 Ca 0.01 -1.82 -0.15 0.00 0.31 0.00 0.00 61.69 60.04 1mqt s THR 107 Cb 0.02 -2.18 -0.05 0.00 0.01 0.00 0.00 72.50 70.30 1mqt s THR 107 CO -0.09 -0.53 0.36 -0.63 -0.69 0.00 0.00 174.62 173.04 1mqt s ILE 108 N 1.23 5.22 -0.28 1.82 1.01 0.40 -1.89 121.20 128.71 1mqt s ILE 108 Ca 0.07 0.72 -0.02 0.00 0.00 0.00 0.00 60.65 61.42 1mqt s ILE 108 Cb -0.18 -3.69 0.09 0.00 0.01 0.00 0.00 42.46 38.68 1mqt s ILE 108 CO -0.14 0.43 0.09 -2.28 0.00 0.00 0.00 174.94 173.04 1mqt s HIS 109 N 0.06 1.26 -0.14 3.97 2.46 0.19 -0.75 115.29 122.33 1mqt s HIS 109 Ca 0.21 -1.34 -0.17 0.00 0.47 0.00 0.00 55.06 54.22 1mqt s HIS 109 Cb -0.14 -1.38 -0.04 0.00 -0.13 0.00 0.00 32.58 30.89 1mqt s HIS 109 CO 0.08 -0.80 0.44 0.08 -2.47 0.00 0.00 174.74 172.06 1mqt s VAL 110 N 1.77 5.20 -0.07 0.89 1.01 -0.35 -1.55 120.40 127.31 1mqt s VAL 110 Ca 0.07 0.85 0.04 0.00 0.00 0.00 0.00 61.98 62.94 1mqt s VAL 110 Cb -0.17 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.44 1mqt s VAL 110 CO -0.23 0.31 -0.20 -1.10 0.00 0.00 0.00 175.10 173.88 1mqt s GLN 111 N 0.78 2.28 -0.21 2.72 -0.21 0.04 -0.88 119.66 124.18 1mqt s GLN 111 Ca 0.23 -0.70 -0.14 0.00 0.02 0.00 0.00 55.36 54.77 1mqt s GLN 111 Cb -0.15 -1.85 0.06 0.00 1.00 0.00 0.00 33.01 32.08 1mqt s GLN 111 CO 0.09 0.20 0.53 0.00 -2.12 0.00 0.00 175.29 173.99 1mqt s ASN 113 N 1.18 0.40 0.00 0.00 4.22 -1.26 -4.46 114.94 115.02 1mqt s ASN 113 Ca -0.07 -0.06 0.00 0.00 -2.14 0.00 0.00 52.86 50.59 1mqt s ASN 113 Cb -0.06 -0.05 0.00 0.00 1.28 0.00 0.00 41.25 42.42 1mqt s ASN 113 CO -0.11 0.04 0.00 0.00 -2.04 0.00 0.00 177.10 174.98 1mqt n ALA 114 N 3.05 0.00 -2.19 3.54 0.00 -1.26 -4.81 120.51 118.84 1mqt n ALA 114 Ca -0.13 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.09 1mqt n ALA 114 Cb 0.58 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.05 1mqt n ALA 114 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1mqt s SER 115 N -0.65 5.01 0.26 0.00 1.04 -1.26 -4.96 113.70 113.14 1mqt s SER 115 Ca 0.00 -0.89 0.20 0.00 0.48 0.00 0.00 55.95 55.73 1mqt s SER 115 Cb 0.00 0.01 0.98 0.00 0.10 0.00 0.00 66.02 67.11 1mqt s SER 115 CO 0.00 -1.03 1.60 0.29 0.98 0.00 0.00 173.24 175.08 1mqt n LYS 116 N -1.88 0.14 0.00 4.02 4.76 -1.26 -1.48 118.16 122.45 1mqt n LYS 116 Ca 0.07 0.55 0.11 0.00 -2.87 0.00 0.00 58.31 56.16 1mqt n LYS 116 Cb 0.62 -1.87 -0.00 0.00 -1.84 0.00 0.00 35.03 31.94 1mqt n LYS 116 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1mqt n PHE 117 N -2.15 0.00 -2.86 2.13 3.01 -1.26 -4.93 117.46 111.41 1mqt n PHE 117 Ca -0.00 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.21 1mqt n PHE 117 Cb 0.09 -0.03 0.01 0.00 -0.01 0.00 0.00 39.48 39.55 1mqt n PHE 117 CO 0.00 0.00 0.00 -1.01 1.01 0.00 0.00 176.76 176.76 1mqt s HIS 118 N -2.71 3.31 -0.08 1.38 3.76 -0.55 -4.65 115.29 115.75 1mqt s HIS 118 Ca 0.14 0.42 -0.18 0.00 -0.15 0.00 0.00 55.06 55.29 1mqt s HIS 118 Cb 0.17 -2.35 0.04 0.00 1.11 0.00 0.00 32.58 31.56 1mqt s HIS 118 CO 0.69 -0.38 0.44 1.14 -0.85 0.00 0.00 174.74 175.78 1mqt s GLN 119 N -4.65 0.69 0.00 1.40 -2.07 -1.03 -4.65 119.66 109.36 1mqt s GLN 119 Ca 0.48 0.22 0.00 0.00 -1.82 0.00 0.00 55.36 54.25 1mqt s GLN 119 Cb -0.10 0.32 0.00 0.00 -1.09 0.00 0.00 33.01 32.14 1mqt s GLN 119 CO 0.40 -0.16 0.00 0.41 -1.32 0.00 0.00 175.29 174.62 1mqt n GLY 120 N 1.82 1.60 3.25 2.60 0.00 -1.26 -1.38 105.19 111.83 1mqt n GLY 120 Ca -0.18 -1.01 -0.10 0.00 0.00 0.00 0.00 46.02 44.73 1mqt n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mqt s LEU 122 N 1.94 3.60 -0.20 0.00 1.43 0.60 -1.39 118.68 124.65 1mqt s LEU 122 Ca -0.06 -0.14 -0.04 0.00 -1.03 0.00 0.00 54.13 52.87 1mqt s LEU 122 Cb -0.10 -2.29 -0.01 0.00 0.03 0.00 0.00 46.19 43.81 1mqt s LEU 122 CO -0.12 0.15 -0.04 -0.22 0.23 0.00 0.00 176.35 176.35 1mqt s LEU 123 N -2.48 2.97 -0.28 1.79 2.96 0.38 -1.02 118.68 123.00 1mqt s LEU 123 Ca 0.28 -0.33 -0.03 0.00 -0.22 0.00 0.00 54.13 53.83 1mqt s LEU 123 Cb -0.11 -1.74 0.03 0.00 0.50 0.00 0.00 46.19 44.87 1mqt s LEU 123 CO 0.20 0.03 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.57 1mqt s VAL 124 N 1.16 3.15 0.22 1.68 1.01 -0.21 -2.17 120.40 125.24 1mqt s VAL 124 Ca 0.02 -1.14 0.06 0.00 0.00 0.00 0.00 61.98 60.91 1mqt s VAL 124 Cb -0.14 -2.71 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 1mqt s VAL 124 CO -0.01 0.02 -0.08 0.68 0.00 0.00 0.00 175.10 175.72 1mqt s VAL 125 N 1.32 1.43 -0.37 2.92 -7.23 -0.83 -1.56 120.40 116.08 1mqt s VAL 125 Ca -0.02 -2.11 0.02 0.00 -1.81 0.00 0.00 61.98 58.06 1mqt s VAL 125 Cb -0.18 -2.20 0.11 0.00 0.56 0.00 0.00 36.38 34.67 1mqt s VAL 125 CO -0.01 -0.47 0.12 0.00 -0.31 0.00 0.00 175.10 174.43 1mqt s VAL 127 N 0.91 4.52 0.22 0.00 1.01 0.23 -4.16 120.40 123.13 1mqt s VAL 127 Ca 0.12 0.27 -0.30 0.00 0.00 0.00 0.00 61.98 62.07 1mqt s VAL 127 Cb -0.20 -4.45 -0.08 0.00 0.00 0.00 0.00 36.38 31.65 1mqt s VAL 127 CO -0.11 -0.95 1.01 -2.16 0.00 0.00 0.00 175.10 172.88 1mqt s PRO 128 N 3.60 4.74 -1.06 2.72 0.04 -1.26 0.18 135.00 143.97 1mqt s PRO 128 Ca 0.29 1.60 -0.06 0.00 0.04 0.00 0.00 61.00 62.87 1mqt s PRO 128 Cb -0.13 -3.27 -0.07 0.00 0.04 0.00 0.00 34.50 31.07 1mqt s PRO 128 CO 0.20 0.33 0.92 -1.91 0.04 0.00 0.00 177.00 176.58 1mqt n GLU 129 N 1.77 -2.48 -2.73 4.56 4.07 -1.15 -4.87 120.64 119.79 1mqt n GLU 129 Ca -0.00 0.86 -0.43 0.00 -0.06 0.00 0.00 57.16 57.53 1mqt n GLU 129 Cb 0.47 -5.82 0.00 0.00 -0.06 0.00 0.00 31.44 26.03 1mqt n GLU 129 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1mqt n ALA 130 N -3.29 4.54 -1.97 4.31 0.00 -1.24 -4.99 120.51 117.87 1mqt n ALA 130 Ca -0.08 -4.32 -0.41 0.00 0.00 0.00 0.00 53.44 48.62 1mqt n ALA 130 Cb 0.62 -2.96 -0.03 0.00 0.00 0.00 0.00 19.45 17.08 1mqt n ALA 130 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1mqt s GLU 131 N 0.73 4.44 0.21 0.00 2.12 -1.26 -4.95 118.70 119.98 1mqt s GLU 131 Ca 0.40 2.00 0.10 0.00 0.36 0.00 0.00 54.97 57.83 1mqt s GLU 131 Cb 0.02 -3.19 -0.04 0.00 0.26 0.00 0.00 34.13 31.17 1mqt s GLU 131 CO 0.00 -0.16 -0.16 -1.64 -0.54 0.00 0.00 175.26 172.77 1mqt s MET 132 N -0.46 1.81 0.55 4.30 -1.94 -1.26 -4.64 119.30 117.66 1mqt s MET 132 Ca 0.54 -1.46 -0.01 0.00 -1.71 0.00 0.00 55.69 53.04 1mqt s MET 132 Cb -0.35 -1.97 0.03 0.00 2.01 0.00 0.00 34.83 34.54 1mqt s MET 132 CO 0.40 0.40 0.79 0.20 -0.01 0.00 0.00 175.02 176.80 1mqt s GLY 133 N -2.95 1.72 0.20 -0.03 0.00 -0.63 -4.92 107.32 100.71 1mqt s GLY 133 Ca 0.25 -1.14 -0.04 0.00 0.00 0.00 0.00 44.72 43.78 1mqt s GLY 133 CO 0.13 -0.87 0.44 0.00 0.00 0.00 0.00 173.10 172.80 1mqt h ALA 135 N 2.32 1.44 -3.18 0.00 0.00 -0.78 -3.39 119.26 115.67 1mqt h ALA 135 Ca -0.47 -0.31 -0.70 0.00 0.00 0.00 0.00 54.91 53.44 1mqt h ALA 135 Cb 1.18 -0.05 -0.31 0.00 0.00 0.00 0.00 17.79 18.61 1mqt h ALA 135 CO 0.70 0.42 -0.60 0.99 0.00 0.00 0.00 179.25 180.76 1mqt s THR 136 N -4.27 3.57 0.23 0.00 2.01 -1.26 -4.64 115.64 111.28 1mqt s THR 136 Ca -0.03 -1.40 0.05 0.00 0.31 0.00 0.00 61.69 60.62 1mqt s THR 136 Cb 0.15 -3.13 0.29 0.00 0.01 0.00 0.00 72.50 69.81 1mqt s THR 136 CO 0.72 -0.30 1.11 0.18 -0.69 0.00 0.00 174.62 175.64 1mqt n LEU 137 N 4.74 0.00 0.24 4.42 4.77 -1.26 -0.43 117.00 129.48 1mqt n LEU 137 Ca -0.10 1.19 0.12 0.00 -0.03 0.00 0.00 56.01 57.19 1mqt n LEU 137 Cb 0.43 -0.47 0.48 0.00 -2.33 0.00 0.00 43.42 41.54 1mqt n LEU 137 CO 0.32 -1.24 0.85 0.00 -1.33 0.00 0.00 177.39 175.99 1mqt h ALA 138 N 1.41 1.00 -4.86 -1.18 0.00 -1.95 -3.47 119.26 110.21 1mqt h ALA 138 Ca 0.47 -0.13 -0.27 0.00 0.00 0.00 0.00 54.91 54.98 1mqt h ALA 138 Cb 1.06 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1mqt h ALA 138 CO -0.63 0.18 -0.13 0.09 0.00 0.00 0.00 179.25 178.76 1mqt n ASN 139 N -3.26 1.81 -4.31 0.00 3.02 0.42 -5.13 115.26 107.82 1mqt n ASN 139 Ca 0.01 -1.88 -0.32 0.00 -0.03 0.00 0.00 54.58 52.36 1mqt n ASN 139 Cb 0.41 -0.02 -0.16 0.00 -0.61 0.00 0.00 39.78 39.41 1mqt n ASN 139 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1mqt s LYS 140 N -3.05 2.53 0.14 3.52 1.02 -1.26 -4.68 119.74 117.97 1mqt s LYS 140 Ca 0.14 -0.87 -0.31 0.00 0.02 0.00 0.00 55.97 54.95 1mqt s LYS 140 Cb -0.01 -2.20 -0.10 0.00 -0.52 0.00 0.00 37.83 35.00 1mqt s LYS 140 CO 0.09 0.43 1.60 -1.25 -0.92 0.00 0.00 175.35 175.29 1mqt s PRO 141 N -0.26 4.21 0.64 -1.68 0.04 -1.26 -4.83 135.00 131.85 1mqt s PRO 141 Ca -0.00 2.36 -0.17 0.00 0.04 0.00 0.00 61.00 63.23 1mqt s PRO 141 Cb -0.13 -3.27 -0.01 0.00 0.04 0.00 0.00 34.50 31.13 1mqt s PRO 141 CO 0.03 -0.64 1.17 0.16 0.04 0.00 0.00 177.00 177.75 1mqt s ASP 142 N 1.49 4.99 0.24 6.66 -4.77 -0.82 -4.83 116.67 119.63 1mqt s ASP 142 Ca 0.71 2.25 -0.11 0.00 -3.30 0.00 0.00 52.55 52.11 1mqt s ASP 142 Cb -0.43 -2.58 0.34 0.00 -1.09 0.00 0.00 42.92 39.16 1mqt s ASP 142 CO 0.32 -1.72 1.61 -0.65 0.70 0.00 0.00 175.17 175.42 1mqt h PRO 143 N 0.41 0.02 -0.46 2.11 0.11 -1.93 0.10 132.00 132.34 1mqt h PRO 143 Ca -0.49 -0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.71 1mqt h PRO 143 Cb 1.28 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.36 1mqt h PRO 143 CO 0.54 0.01 0.32 0.87 -0.21 0.00 0.00 178.00 179.52 1mqt h LYS 144 N 0.02 0.25 0.00 1.05 1.57 -1.92 0.11 116.57 117.64 1mqt h LYS 144 Ca 0.38 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 59.03 1mqt h LYS 144 Cb 0.60 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.84 1mqt h LYS 144 CO -0.76 0.16 -0.51 0.77 -0.57 0.00 0.00 179.45 178.54 1mqt h SER 145 N 0.26 0.00 0.01 0.86 0.02 -1.30 -3.33 113.55 110.07 1mqt h SER 145 Ca 0.21 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1mqt h SER 145 Cb 0.50 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.04 1mqt h SER 145 CO -0.04 0.51 -0.00 -0.07 -1.14 0.00 0.00 176.83 176.09 1mqt h LEU 146 N 0.00 -0.01 -7.58 5.07 3.38 -0.54 -3.44 115.31 112.19 1mqt h LEU 146 Ca -0.01 -0.77 -0.15 0.00 0.09 0.00 0.00 57.88 57.04 1mqt h LEU 146 Cb 1.17 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 41.69 1mqt h LEU 146 CO 0.07 0.78 -0.44 -0.55 0.09 0.00 0.00 178.44 178.39 1mqt s SER 147 N -5.99 -0.14 -0.37 -0.43 0.15 -0.76 -4.74 113.70 101.42 1mqt s SER 147 Ca -0.17 0.18 0.10 0.00 0.70 0.00 0.00 55.95 56.76 1mqt s SER 147 Cb -0.01 0.36 0.44 0.00 -1.71 0.00 0.00 66.02 65.10 1mqt s SER 147 CO 0.66 -0.23 1.09 0.29 1.20 0.00 0.00 173.24 176.25 1mqt n LYS 148 N 2.21 2.82 0.00 5.44 5.02 -1.26 -4.45 118.16 127.95 1mqt n LYS 148 Ca -0.17 -4.10 0.00 0.00 -2.02 0.00 0.00 58.31 52.02 1mqt n LYS 148 Cb 0.57 -1.98 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 1mqt n LYS 148 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mqt n GLY 149 N -0.43 3.60 0.10 0.72 0.00 -1.26 -0.54 105.19 107.37 1mqt n GLY 149 Ca 0.31 0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.53 1mqt n GLY 149 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1mqt n GLU 150 N 14.00 0.19 -2.78 1.61 0.28 -1.25 -4.54 120.64 128.15 1mqt n GLU 150 Ca 0.00 0.30 -0.42 0.00 -0.16 0.00 0.00 57.16 56.87 1mqt n GLU 150 Cb 0.00 -1.79 -0.03 0.00 1.43 0.00 0.00 31.44 31.05 1mqt n GLU 150 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1mqt s ILE 151 N -3.19 4.76 0.60 3.84 -1.09 0.30 -4.09 121.20 122.33 1mqt s ILE 151 Ca 0.08 1.77 -0.19 0.00 -2.23 0.00 0.00 60.65 60.07 1mqt s ILE 151 Cb 0.11 -4.21 -0.03 0.00 -1.58 0.00 0.00 42.46 36.75 1mqt s ILE 151 CO 0.47 -0.13 1.30 0.00 -1.23 0.00 0.00 174.94 175.34 1mqt s ALA 152 N 3.02 2.56 0.25 9.38 0.00 -1.26 -4.05 121.76 131.67 1mqt s ALA 152 Ca 0.39 1.21 0.06 0.00 0.00 0.00 0.00 51.96 53.63 1mqt s ALA 152 Cb -0.15 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.40 1mqt s ALA 152 CO 0.07 -1.43 0.27 -1.12 0.00 0.00 0.00 175.76 173.54 1mqt s SER 153 N -1.29 5.82 0.03 0.00 0.01 -0.65 -4.94 113.70 112.68 1mqt s SER 153 Ca 0.78 -0.14 0.09 0.00 1.31 0.00 0.00 55.95 57.99 1mqt s SER 153 Cb -0.37 -1.55 -0.03 0.00 0.21 0.00 0.00 66.02 64.28 1mqt s SER 153 CO 0.41 -0.07 -0.26 0.42 0.41 0.00 0.00 173.24 174.15 1mqt s THR 154 N -2.09 2.05 0.70 1.44 -4.23 -1.26 -1.83 115.64 110.43 1mqt s THR 154 Ca 0.34 -1.28 -0.05 0.00 -1.18 0.00 0.00 61.69 59.52 1mqt s THR 154 Cb -0.08 -1.74 0.08 0.00 1.34 0.00 0.00 72.50 72.10 1mqt s THR 154 CO 0.27 0.41 1.00 -0.36 -0.54 0.00 0.00 174.62 175.39 1mqt s PHE 155 N -0.74 2.59 0.15 3.99 0.08 -0.97 -4.90 117.98 118.18 1mqt s PHE 155 Ca 0.11 0.24 0.06 0.00 0.12 0.00 0.00 56.93 57.46 1mqt s PHE 155 Cb -0.10 -3.17 -0.04 0.00 -0.57 0.00 0.00 43.02 39.14 1mqt s PHE 155 CO 0.01 -1.47 -0.12 -1.21 -0.10 0.00 0.00 175.22 172.32 1mqt s GLU 156 N -5.20 1.11 -0.46 0.44 2.02 0.07 -4.47 118.70 112.20 1mqt s GLU 156 Ca 0.62 -1.41 -0.01 0.00 0.02 0.00 0.00 54.97 54.19 1mqt s GLU 156 Cb -0.09 -0.83 0.34 0.00 0.10 0.00 0.00 34.13 33.66 1mqt s GLU 156 CO 0.44 0.13 1.98 -1.13 0.02 0.00 0.00 175.26 176.71 1mqt n SER 157 N 0.01 6.62 0.00 -0.19 3.41 -1.26 -0.59 113.62 121.62 1mqt n SER 157 Ca -0.11 -3.37 0.00 0.00 -0.26 0.00 0.00 58.87 55.12 1mqt n SER 157 Cb 0.59 -0.99 0.00 0.00 -0.26 0.00 0.00 64.21 63.56 1mqt n SER 157 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1mqt n GLN 158 N -0.30 -2.22 -2.44 4.33 10.64 -1.26 -5.01 117.38 121.13 1mqt n GLN 158 Ca 0.45 0.00 -0.40 0.00 -1.83 0.00 0.00 57.00 55.22 1mqt n GLN 158 Cb 0.71 0.00 -0.04 0.00 -0.86 0.00 0.00 30.24 30.05 1mqt n GLN 158 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 1mqt s ASN 159 N -1.63 7.21 0.74 2.61 0.01 -1.26 -3.44 114.94 119.18 1mqt s ASN 159 Ca 0.00 2.30 -0.10 0.00 -0.71 0.00 0.00 52.86 54.34 1mqt s ASN 159 Cb 0.00 -2.63 0.05 0.00 0.41 0.00 0.00 41.25 39.08 1mqt s ASN 159 CO 0.00 -0.20 1.10 -0.44 -1.51 0.00 0.00 177.10 176.06 1mqt s SER 160 N -0.73 4.96 -0.00 -1.22 0.01 -1.26 -4.94 113.70 110.52 1mqt s SER 160 Ca 0.46 0.84 0.06 0.00 1.31 0.00 0.00 55.95 58.62 1mqt s SER 160 Cb -0.33 -1.50 -0.02 0.00 0.21 0.00 0.00 66.02 64.39 1mqt s SER 160 CO 0.42 -1.60 -0.20 -0.89 0.41 0.00 0.00 173.24 171.38 1mqt s THR 161 N -3.40 1.56 0.00 1.44 2.01 -1.26 -4.97 115.64 111.02 1mqt s THR 161 Ca 0.60 -0.90 0.00 0.00 0.31 0.00 0.00 61.69 61.70 1mqt s THR 161 Cb -0.11 -1.31 0.00 0.00 0.01 0.00 0.00 72.50 71.09 1mqt s THR 161 CO 0.49 0.39 0.00 0.61 -0.69 0.00 0.00 174.62 175.42 1mqt n GLY 162 N 2.46 0.00 7.00 4.40 0.00 -1.26 -4.55 105.19 113.24 1mqt n GLY 162 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1mqt n GLY 162 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1mqt n GLU 163 N -0.00 0.00 -0.44 1.61 1.02 -1.26 -2.81 120.64 118.75 1mqt n GLU 163 Ca 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.19 1mqt n GLU 163 Cb 0.00 0.00 0.09 0.00 -0.02 0.00 0.00 31.44 31.51 1mqt n GLU 163 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1mqt n THR 164 N 0.00 1.10 -2.00 2.62 -2.24 -1.26 -4.49 114.28 108.01 1mqt n THR 164 Ca 0.00 -1.52 -0.29 0.00 -2.27 0.00 0.00 64.05 59.97 1mqt n THR 164 Cb 0.00 0.14 0.13 0.00 -2.10 0.00 0.00 70.33 68.50 1mqt n THR 164 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mqt s ALA 165 N -1.66 2.62 0.12 6.98 0.00 -1.12 -1.94 121.76 126.76 1mqt s ALA 165 Ca 0.23 -0.99 -0.11 0.00 0.00 0.00 0.00 51.96 51.09 1mqt s ALA 165 Cb 0.21 -2.77 -0.06 0.00 0.00 0.00 0.00 23.12 20.50 1mqt s ALA 165 CO -0.02 -1.93 0.47 0.08 0.00 0.00 0.00 175.76 174.36 1mqt s VAL 166 N -3.63 5.00 -1.20 0.00 1.01 -1.26 -0.17 120.40 120.14 1mqt s VAL 166 Ca 0.67 0.54 -0.20 0.00 0.00 0.00 0.00 61.98 63.00 1mqt s VAL 166 Cb -0.08 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 1mqt s VAL 166 CO 0.50 0.21 1.91 1.67 0.00 0.00 0.00 175.10 179.39 1mqt n GLN 167 N 0.68 2.34 0.00 2.72 -0.06 -1.11 -4.47 117.38 117.48 1mqt n GLN 167 Ca -0.06 -2.67 0.07 0.00 -2.00 0.00 0.00 57.00 52.35 1mqt n GLN 167 Cb 0.52 -3.45 0.44 0.00 -4.06 0.00 0.00 30.24 23.70 1mqt n GLN 167 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1mqt n ALA 168 N 9.85 2.08 -1.68 1.69 0.00 -1.26 -3.78 120.51 127.42 1mqt n ALA 168 Ca 0.48 -0.09 -0.50 0.00 0.00 0.00 0.00 53.44 53.33 1mqt n ALA 168 Cb 0.44 -1.24 -0.05 0.00 0.00 0.00 0.00 19.45 18.60 1mqt n ALA 168 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1mqt n ASN 169 N -0.97 3.03 -0.25 0.00 2.85 -1.22 -0.75 115.26 117.95 1mqt n ASN 169 Ca 0.11 1.02 0.01 0.00 -0.11 0.00 0.00 54.58 55.62 1mqt n ASN 169 Cb 0.05 -1.32 0.14 0.00 1.24 0.00 0.00 39.78 39.89 1mqt n ASN 169 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 1mqt h VAL 170 N 4.97 0.86 -0.53 3.44 2.07 -1.10 -2.76 116.25 123.20 1mqt h VAL 170 Ca -0.47 -0.21 0.16 0.00 0.82 0.00 0.00 66.70 66.99 1mqt h VAL 170 Cb 1.28 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1mqt h VAL 170 CO 0.93 0.11 0.78 0.16 0.02 0.00 0.00 177.57 179.57 1mqt h ILE 171 N 0.62 0.14 -0.13 4.57 3.07 -1.88 0.82 117.51 124.73 1mqt h ILE 171 Ca 0.35 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.76 1mqt h ILE 171 Cb 0.36 0.34 0.00 0.00 -0.27 0.00 0.00 36.82 37.25 1mqt h ILE 171 CO -0.26 0.00 0.00 0.59 -1.05 0.00 0.00 178.15 177.43 1mqt n ASN 172 N -3.28 2.17 -1.56 2.16 3.02 -1.04 -0.74 115.26 115.98 1mqt n ASN 172 Ca 0.11 -1.77 -0.12 0.00 -0.03 0.00 0.00 54.58 52.78 1mqt n ASN 172 Cb 0.96 -0.08 -0.04 0.00 -0.61 0.00 0.00 39.78 40.01 1mqt n ASN 172 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1mqt n ALA 173 N 0.12 -0.30 -1.71 5.41 0.00 0.28 -0.75 120.51 123.56 1mqt n ALA 173 Ca 0.05 0.17 -0.20 0.00 0.00 0.00 0.00 53.44 53.47 1mqt n ALA 173 Cb 0.28 -1.31 -0.07 0.00 0.00 0.00 0.00 19.45 18.35 1mqt n ALA 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mqt n GLY 174 N -0.33 1.48 0.00 0.00 0.00 -1.25 -4.80 105.19 100.29 1mqt n GLY 174 Ca -0.12 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1mqt n GLY 174 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1mqt n MET 175 N -2.51 0.44 -2.07 1.61 2.81 0.08 -1.61 117.12 115.86 1mqt n MET 175 Ca -0.20 -0.66 -0.08 0.00 -1.81 0.00 0.00 57.70 54.94 1mqt n MET 175 Cb 0.65 -0.82 -0.01 0.00 -0.71 0.00 0.00 33.22 32.33 1mqt n MET 175 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1mqt n GLY 176 N -0.13 0.12 3.03 3.03 0.00 -1.08 -4.95 105.19 105.21 1mqt n GLY 176 Ca 0.00 -0.55 -0.26 0.00 0.00 0.00 0.00 46.02 45.21 1mqt n GLY 176 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1mqt n VAL 177 N -3.89 0.00 -3.06 1.61 0.24 -1.21 -5.08 118.33 106.94 1mqt n VAL 177 Ca -0.10 -2.04 -0.43 0.00 -2.04 0.00 0.00 64.34 59.74 1mqt n VAL 177 Cb 0.55 0.49 -0.06 0.00 -1.47 0.00 0.00 33.84 33.34 1mqt n VAL 177 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1mqt s GLY 178 N -3.32 1.67 0.45 7.63 0.00 -1.26 -4.02 107.32 108.47 1mqt s GLY 178 Ca 0.04 -1.22 0.33 0.00 0.00 0.00 0.00 44.72 43.87 1mqt s GLY 178 CO 0.03 1.62 1.61 -0.24 0.00 0.00 0.00 173.10 176.12 1mqt h VAL 179 N 5.91 0.08 0.00 1.40 3.04 -1.20 0.36 116.25 125.85 1mqt h VAL 179 Ca -0.25 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.42 1mqt h VAL 179 Cb 1.09 0.03 0.00 0.00 -2.01 0.00 0.00 31.29 30.40 1mqt h VAL 179 CO 0.93 0.01 0.00 0.61 -1.01 0.00 0.00 177.57 178.11 1mqt n GLY 180 N -1.57 -0.62 0.39 3.17 0.00 -1.26 -2.75 105.19 102.55 1mqt n GLY 180 Ca 0.39 -0.09 0.06 0.00 0.00 0.00 0.00 46.02 46.38 1mqt n GLY 180 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1mqt n ASN 181 N -0.87 1.69 0.24 1.61 3.02 0.13 -4.52 115.26 116.55 1mqt n ASN 181 Ca 0.11 -1.34 0.10 0.00 -0.03 0.00 0.00 54.58 53.42 1mqt n ASN 181 Cb 0.05 0.26 0.55 0.00 -0.61 0.00 0.00 39.78 40.03 1mqt n ASN 181 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1mqt h LEU 182 N 1.90 0.00 0.00 3.41 3.38 -1.65 -2.78 115.31 119.57 1mqt h LEU 182 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1mqt h LEU 182 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1mqt h LEU 182 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.88 1mqt n THR 183 N -2.41 0.00 0.05 0.22 -2.24 -1.26 -1.63 114.28 107.01 1mqt n THR 183 Ca -0.01 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.74 1mqt n THR 183 Cb 0.34 -0.61 -0.08 0.00 -2.10 0.00 0.00 70.33 67.89 1mqt n THR 183 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1mqt h ILE 184 N 0.00 0.88 -4.18 2.28 2.04 -1.89 -3.46 117.51 113.18 1mqt h ILE 184 Ca 0.00 -2.46 -0.50 0.00 1.00 0.00 0.00 64.86 62.91 1mqt h ILE 184 Cb 0.00 2.35 0.06 0.00 -0.74 0.00 0.00 36.82 38.50 1mqt h ILE 184 CO 0.00 0.50 0.34 -0.36 0.00 0.00 0.00 178.15 178.63 1mqt s PHE 185 N -2.82 3.45 0.14 1.37 0.08 -0.65 -4.97 117.98 114.58 1mqt s PHE 185 Ca -0.01 1.03 -0.35 0.00 0.12 0.00 0.00 56.93 57.73 1mqt s PHE 185 Cb 0.09 -2.79 -0.15 0.00 -0.57 0.00 0.00 43.02 39.60 1mqt s PHE 185 CO 0.80 -0.83 1.51 -2.30 -0.10 0.00 0.00 175.22 174.30 1mqt n PRO 186 N -2.75 1.89 -3.60 0.24 -0.02 -1.26 -4.79 135.00 124.71 1mqt n PRO 186 Ca 0.05 0.68 -0.08 0.00 -2.02 0.00 0.00 63.50 62.13 1mqt n PRO 186 Cb 0.56 -2.42 -0.02 0.00 -0.02 0.00 0.00 33.50 31.60 1mqt n PRO 186 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1mqt s HIS 187 N 0.79 -0.33 0.07 6.00 -3.43 -1.26 -1.49 115.29 115.64 1mqt s HIS 187 Ca 0.80 0.07 -0.08 0.00 -0.80 0.00 0.00 55.06 55.06 1mqt s HIS 187 Cb -0.75 0.60 -0.01 0.00 -1.43 0.00 0.00 32.58 30.99 1mqt s HIS 187 CO 0.40 -0.83 0.16 -0.65 -2.00 0.00 0.00 174.74 171.82 1mqt s GLN 188 N -3.49 0.78 -0.02 -0.38 -0.21 -0.60 -4.89 119.66 110.84 1mqt s GLN 188 Ca 0.07 -0.93 0.03 0.00 0.02 0.00 0.00 55.36 54.54 1mqt s GLN 188 Cb -0.02 0.31 -0.03 0.00 1.00 0.00 0.00 33.01 34.27 1mqt s GLN 188 CO -0.05 -0.23 -0.08 -1.58 -2.12 0.00 0.00 175.29 171.24 1mqt s TRP 189 N -3.60 2.88 -0.40 0.91 0.52 -1.26 -1.04 118.94 116.95 1mqt s TRP 189 Ca 0.03 -0.04 -0.03 0.00 0.02 0.00 0.00 56.10 56.08 1mqt s TRP 189 Cb 0.04 -1.63 0.10 0.00 -1.15 0.00 0.00 33.47 30.83 1mqt s TRP 189 CO -0.09 0.35 0.19 0.42 0.02 0.00 0.00 176.95 177.84 1mqt s ILE 190 N -0.93 3.36 -0.63 2.03 1.01 -0.19 -4.90 121.20 120.95 1mqt s ILE 190 Ca 0.15 -1.93 -0.10 0.00 0.00 0.00 0.00 60.65 58.77 1mqt s ILE 190 Cb -0.11 -3.25 0.16 0.00 0.01 0.00 0.00 42.46 39.28 1mqt s ILE 190 CO 0.05 -0.62 0.52 0.21 0.00 0.00 0.00 174.94 175.10 1mqt s ASN 191 N 1.82 5.96 0.18 3.58 2.47 -1.26 -0.29 114.94 127.39 1mqt s ASN 191 Ca 0.06 -2.40 0.03 0.00 0.42 0.00 0.00 52.86 50.98 1mqt s ASN 191 Cb -0.23 -2.05 0.49 0.00 -1.45 0.00 0.00 41.25 38.01 1mqt s ASN 191 CO -0.03 -0.58 0.86 0.18 -3.72 0.00 0.00 177.10 173.80 1mqt n LEU 192 N 4.27 -0.01 -0.24 3.21 4.77 -0.93 0.98 117.00 129.06 1mqt n LEU 192 Ca 0.03 0.92 0.16 0.00 -0.03 0.00 0.00 56.01 57.09 1mqt n LEU 192 Cb 0.42 -0.36 0.46 0.00 -2.33 0.00 0.00 43.42 41.61 1mqt n LEU 192 CO 0.38 -0.96 1.22 -0.09 -1.33 0.00 0.00 177.39 176.61 1mqt h ARG 193 N 0.00 0.50 0.00 3.23 2.43 -1.82 -3.27 114.38 115.44 1mqt h ARG 193 Ca 0.36 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 1mqt h ARG 193 Cb 0.81 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 1mqt h ARG 193 CO -0.49 0.33 -0.11 0.25 -1.51 0.00 0.00 179.97 178.43 1mqt n THR 194 N -4.53 0.00 -3.39 0.20 -2.24 0.28 -5.07 114.28 99.52 1mqt n THR 194 Ca 0.18 -0.23 -0.11 0.00 -2.27 0.00 0.00 64.05 61.62 1mqt n THR 194 Cb 0.58 0.86 0.01 0.00 -2.10 0.00 0.00 70.33 69.68 1mqt n THR 194 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1mqt n ASN 195 N -0.63 1.45 0.00 3.42 3.02 0.21 -4.76 115.26 117.97 1mqt n ASN 195 Ca 0.00 -1.81 0.00 0.00 -0.03 0.00 0.00 54.58 52.74 1mqt n ASN 195 Cb 0.00 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.07 1mqt n ASN 195 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1mqt n ASN 196 N -2.26 0.00 -3.68 6.41 2.85 -1.23 -4.64 115.26 112.72 1mqt n ASN 196 Ca 0.03 0.00 -0.10 0.00 -0.11 0.00 0.00 54.58 54.40 1mqt n ASN 196 Cb 0.28 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 41.27 1mqt n ASN 196 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1mqt s SER 197 N -0.93 -0.28 -0.01 1.20 1.04 -1.19 -2.22 113.70 111.30 1mqt s SER 197 Ca 0.00 -0.39 0.03 0.00 0.48 0.00 0.00 55.95 56.07 1mqt s SER 197 Cb 0.00 0.55 -0.01 0.00 0.10 0.00 0.00 66.02 66.67 1mqt s SER 197 CO 0.00 -0.99 -0.09 0.00 0.98 0.00 0.00 173.24 173.13 1mqt s ALA 198 N -3.84 0.80 -0.06 5.32 0.00 -0.06 -4.71 121.76 119.21 1mqt s ALA 198 Ca 0.07 -0.40 -0.01 0.00 0.00 0.00 0.00 51.96 51.62 1mqt s ALA 198 Cb -0.00 -0.22 0.03 0.00 0.00 0.00 0.00 23.12 22.93 1mqt s ALA 198 CO -0.06 0.19 0.01 0.99 0.00 0.00 0.00 175.76 176.88 1mqt s THR 199 N -0.17 0.25 0.16 0.00 2.01 -1.26 -1.21 115.64 115.43 1mqt s THR 199 Ca 0.03 0.16 0.11 0.00 0.31 0.00 0.00 61.69 62.29 1mqt s THR 199 Cb -0.04 -0.41 -0.04 0.00 0.01 0.00 0.00 72.50 72.01 1mqt s THR 199 CO -0.00 0.22 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.28 1mqt s ILE 200 N 1.75 2.43 -0.54 1.82 1.01 0.07 -1.92 121.20 125.82 1mqt s ILE 200 Ca 0.01 -1.87 0.04 0.00 0.00 0.00 0.00 60.65 58.83 1mqt s ILE 200 Cb -0.13 -2.14 0.14 0.00 0.01 0.00 0.00 42.46 40.35 1mqt s ILE 200 CO -0.04 -0.03 0.33 -0.69 0.00 0.00 0.00 174.94 174.51 1mqt s VAL 201 N -1.42 2.22 -0.11 2.92 1.01 -0.28 -0.46 120.40 124.28 1mqt s VAL 201 Ca 0.19 -3.35 -0.30 0.00 0.00 0.00 0.00 61.98 58.52 1mqt s VAL 201 Cb -0.09 -2.51 -0.01 0.00 0.00 0.00 0.00 36.38 33.77 1mqt s VAL 201 CO 0.09 -0.91 1.02 -0.04 0.00 0.00 0.00 175.10 175.26 1mqt s MET 202 N -0.43 4.41 0.55 2.72 -1.94 -0.20 -0.42 119.30 123.99 1mqt s MET 202 Ca 0.20 1.40 -0.02 0.00 -1.71 0.00 0.00 55.69 55.57 1mqt s MET 202 Cb -0.18 -3.55 0.02 0.00 2.01 0.00 0.00 34.83 33.14 1mqt s MET 202 CO -0.06 -0.34 0.81 -1.25 -0.01 0.00 0.00 175.02 174.17 1mqt s PRO 203 N 2.08 2.74 0.04 2.03 0.04 -1.26 0.20 135.00 140.86 1mqt s PRO 203 Ca 0.48 -0.42 -0.30 0.00 0.04 0.00 0.00 61.00 60.80 1mqt s PRO 203 Cb -0.18 -2.41 -0.08 0.00 0.04 0.00 0.00 34.50 31.87 1mqt s PRO 203 CO 0.18 -0.66 1.72 -0.47 0.04 0.00 0.00 177.00 177.80 1mqt s TYR 204 N -2.83 2.11 -0.19 0.56 5.04 -1.26 -4.85 117.35 115.93 1mqt s TYR 204 Ca 0.54 0.14 -0.00 0.00 -2.44 0.00 0.00 57.07 55.31 1mqt s TYR 204 Cb -0.10 -4.01 0.05 0.00 0.35 0.00 0.00 41.96 38.24 1mqt s TYR 204 CO 0.41 -4.21 -0.04 0.42 -1.34 0.00 0.00 175.55 170.79 1mqt s ILE 205 N 3.29 1.17 -0.00 3.14 1.01 -1.26 -5.06 121.20 123.48 1mqt s ILE 205 Ca 0.77 -0.81 -0.29 0.00 0.00 0.00 0.00 60.65 60.32 1mqt s ILE 205 Cb -0.39 -1.41 0.10 0.00 0.01 0.00 0.00 42.46 40.77 1mqt s ILE 205 CO 0.33 0.02 0.94 0.21 0.00 0.00 0.00 174.94 176.44 1mqt s ASN 206 N 1.59 -0.31 -0.00 3.58 3.04 -1.26 -4.95 114.94 116.62 1mqt s ASN 206 Ca -0.02 -0.06 0.03 0.00 0.04 0.00 0.00 52.86 52.85 1mqt s ASN 206 Cb -0.17 0.37 0.08 0.00 -1.54 0.00 0.00 41.25 40.00 1mqt s ASN 206 CO -0.07 -0.62 1.06 -1.54 -3.04 0.00 0.00 177.10 172.89 1mqt n SER 207 N -0.27 0.51 -3.81 -4.21 3.41 -1.26 -4.77 113.62 103.21 1mqt n SER 207 Ca -0.07 -2.00 -0.12 0.00 -0.26 0.00 0.00 58.87 56.41 1mqt n SER 207 Cb 0.61 -0.07 -0.11 0.00 -0.26 0.00 0.00 64.21 64.38 1mqt n SER 207 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1mqt s VAL 208 N -1.87 0.02 0.50 -3.33 -7.23 -1.26 -5.05 120.40 102.17 1mqt s VAL 208 Ca 0.06 -0.15 0.29 0.00 -1.81 0.00 0.00 61.98 60.38 1mqt s VAL 208 Cb 0.03 -0.33 0.48 0.00 0.56 0.00 0.00 36.38 37.13 1mqt s VAL 208 CO 0.04 -0.08 1.82 1.55 -0.31 0.00 0.00 175.10 178.12 1mqt h PRO 209 N 5.46 0.13 -3.46 4.82 0.13 -1.86 -3.43 132.00 133.78 1mqt h PRO 209 Ca -0.27 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 64.81 1mqt h PRO 209 Cb 1.19 -0.03 -0.12 0.00 0.13 0.00 0.00 31.00 32.18 1mqt h PRO 209 CO 0.39 0.08 -0.09 -1.64 -0.23 0.00 0.00 178.00 176.51 1mqt s MET 210 N -5.13 1.20 0.23 0.86 -1.94 -1.26 -4.84 119.30 108.43 1mqt s MET 210 Ca -0.06 -0.86 -0.14 0.00 -1.71 0.00 0.00 55.69 52.92 1mqt s MET 210 Cb 0.23 0.47 0.00 0.00 2.01 0.00 0.00 34.83 37.54 1mqt s MET 210 CO 0.79 -0.48 0.48 0.34 -0.01 0.00 0.00 175.02 176.14 1mqt s ASP 211 N -2.86 -0.12 0.67 3.03 -1.08 -1.03 -4.91 116.67 110.37 1mqt s ASP 211 Ca 0.08 -0.82 -0.13 0.00 -0.52 0.00 0.00 52.55 51.16 1mqt s ASP 211 Cb 0.01 0.58 0.00 0.00 -1.46 0.00 0.00 42.92 42.05 1mqt s ASP 211 CO -0.06 -1.12 1.07 0.21 0.52 0.00 0.00 175.17 175.79 1mqt s ASN 212 N -2.98 5.37 -0.01 -0.34 3.04 -1.25 -1.12 114.94 117.66 1mqt s ASN 212 Ca 0.19 1.74 0.15 0.00 0.04 0.00 0.00 52.86 54.97 1mqt s ASN 212 Cb -0.01 -2.51 -0.18 0.00 -1.54 0.00 0.00 41.25 37.00 1mqt s ASN 212 CO 0.06 -1.45 0.55 0.23 -3.04 0.00 0.00 177.10 173.45 1mqt n MET 213 N -2.79 1.62 -0.01 0.43 2.81 -1.26 -4.06 117.12 113.86 1mqt n MET 213 Ca 0.08 -0.04 0.10 0.00 -1.81 0.00 0.00 57.70 56.04 1mqt n MET 213 Cb 0.53 -1.25 -0.15 0.00 -0.71 0.00 0.00 33.22 31.65 1mqt n MET 213 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1mqt n PHE 214 N -1.55 0.00 0.26 2.03 3.72 -1.26 -4.20 117.46 116.46 1mqt n PHE 214 Ca 0.01 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.52 1mqt n PHE 214 Cb 0.28 -0.29 -0.10 0.00 -0.94 0.00 0.00 39.48 38.43 1mqt n PHE 214 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 1mqt n ARG 215 N -1.94 0.49 -3.76 -1.08 0.63 -1.26 -4.94 116.66 104.80 1mqt n ARG 215 Ca -0.01 -0.09 -0.17 0.00 -0.92 0.00 0.00 57.85 56.67 1mqt n ARG 215 Cb 0.46 -1.57 -0.17 0.00 0.45 0.00 0.00 32.46 31.63 1mqt n ARG 215 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 1mqt s HIS 216 N -3.36 0.08 -0.66 -0.14 2.46 -1.26 -5.09 115.29 107.32 1mqt s HIS 216 Ca -0.03 0.14 -0.10 0.00 0.47 0.00 0.00 55.06 55.55 1mqt s HIS 216 Cb 0.14 -0.33 0.17 0.00 -0.13 0.00 0.00 32.58 32.43 1mqt s HIS 216 CO 0.87 -0.12 0.56 -0.80 -2.47 0.00 0.00 174.74 172.77 1mqt s ASN 217 N 1.36 6.06 0.00 9.88 0.01 -1.26 -4.63 114.94 126.35 1mqt s ASN 217 Ca -0.05 -2.46 0.00 0.00 -0.71 0.00 0.00 52.86 49.63 1mqt s ASN 217 Cb -0.13 -2.07 0.00 0.00 0.41 0.00 0.00 41.25 39.46 1mqt s ASN 217 CO -0.03 -0.58 0.22 -0.46 -1.51 0.00 0.00 177.10 174.75 1mqt n ASN 218 N 4.19 0.00 0.00 -1.22 6.94 -1.26 -4.38 115.26 119.53 1mqt n ASN 218 Ca 0.04 -0.45 0.00 0.00 -0.02 0.00 0.00 54.58 54.15 1mqt n ASN 218 Cb 0.42 -0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.84 1mqt n ASN 218 CO 0.00 0.00 0.00 2.22 -1.03 0.00 0.00 177.26 178.45 1mqt n PHE 219 N -0.50 0.00 -4.85 -2.53 1.16 -1.26 -2.95 117.46 106.54 1mqt n PHE 219 Ca 0.00 0.00 -0.26 0.00 -1.87 0.00 0.00 57.45 55.32 1mqt n PHE 219 Cb 0.00 0.00 -0.16 0.00 -1.61 0.00 0.00 39.48 37.71 1mqt n PHE 219 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 1mqt s THR 220 N -2.00 1.46 -0.00 1.97 2.01 0.13 -0.96 115.64 118.25 1mqt s THR 220 Ca 0.00 -0.73 -0.19 0.00 0.31 0.00 0.00 61.69 61.09 1mqt s THR 220 Cb 0.00 -1.26 -0.06 0.00 0.01 0.00 0.00 72.50 71.20 1mqt s THR 220 CO 0.00 0.42 0.53 -0.22 -0.69 0.00 0.00 174.62 174.66 1mqt s LEU 221 N 0.07 4.43 -0.02 4.42 2.96 -0.28 -0.60 118.68 129.66 1mqt s LEU 221 Ca -0.05 1.09 0.04 0.00 -0.22 0.00 0.00 54.13 54.99 1mqt s LEU 221 Cb -0.12 -2.81 -0.00 0.00 0.50 0.00 0.00 46.19 43.76 1mqt s LEU 221 CO 0.02 0.18 -0.12 -0.04 -1.32 0.00 0.00 176.35 175.07 1mqt s MET 222 N -0.47 1.13 -0.32 1.98 -1.94 -0.78 -0.85 119.30 118.05 1mqt s MET 222 Ca 0.28 -0.44 0.01 0.00 -1.71 0.00 0.00 55.69 53.83 1mqt s MET 222 Cb -0.18 -1.06 0.10 0.00 2.01 0.00 0.00 34.83 35.70 1mqt s MET 222 CO 0.16 0.22 0.08 0.08 -0.01 0.00 0.00 175.02 175.55 1mqt s VAL 223 N -0.10 1.30 -0.11 -6.03 1.01 -0.08 -1.97 120.40 114.42 1mqt s VAL 223 Ca 0.01 -1.68 0.02 0.00 0.00 0.00 0.00 61.98 60.33 1mqt s VAL 223 Cb -0.07 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.32 1mqt s VAL 223 CO 0.00 -0.65 -0.16 -0.63 0.00 0.00 0.00 175.10 173.66 1mqt s ILE 224 N 1.40 2.78 -0.24 2.22 1.01 -0.92 -1.31 121.20 126.14 1mqt s ILE 224 Ca 0.10 -0.77 -0.20 0.00 0.00 0.00 0.00 60.65 59.77 1mqt s ILE 224 Cb -0.18 -2.13 -0.02 0.00 0.01 0.00 0.00 42.46 40.14 1mqt s ILE 224 CO -0.20 0.54 0.63 -2.16 0.00 0.00 0.00 174.94 173.75 1mqt s PRO 225 N 0.15 4.14 -0.08 2.79 0.04 -1.26 -0.47 135.00 140.31 1mqt s PRO 225 Ca -0.09 0.56 0.13 0.00 0.04 0.00 0.00 61.00 61.64 1mqt s PRO 225 Cb -0.15 -3.63 -0.24 0.00 0.04 0.00 0.00 34.50 30.52 1mqt s PRO 225 CO 0.05 -0.36 0.52 1.19 0.04 0.00 0.00 177.00 178.44 1mqt n PHE 226 N 5.50 0.79 -3.75 0.56 3.01 -0.49 -4.65 117.46 118.43 1mqt n PHE 226 Ca -0.01 0.28 -0.37 0.00 1.01 0.00 0.00 57.45 58.36 1mqt n PHE 226 Cb 0.49 -1.14 -0.11 0.00 -0.01 0.00 0.00 39.48 38.70 1mqt n PHE 226 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1mqt s ALA 227 N -2.57 3.16 0.27 4.37 0.00 -1.01 -4.96 121.76 121.02 1mqt s ALA 227 Ca -0.07 -2.45 -0.28 0.00 0.00 0.00 0.00 51.96 49.16 1mqt s ALA 227 Cb 0.08 -2.43 -0.14 0.00 0.00 0.00 0.00 23.12 20.62 1mqt s ALA 227 CO 0.82 -1.76 0.98 -0.35 0.00 0.00 0.00 175.76 175.45 1mqt n PRO 228 N 4.65 1.22 -2.16 0.00 -0.04 -1.26 -0.09 135.00 137.32 1mqt n PRO 228 Ca -0.04 0.43 -0.39 0.00 -0.04 0.00 0.00 63.50 63.46 1mqt n PRO 228 Cb 0.42 -1.77 -0.01 0.00 -0.04 0.00 0.00 33.50 32.09 1mqt n PRO 228 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1mqt s LEU 229 N 0.69 4.18 0.16 1.53 2.96 -1.26 -4.38 118.68 122.56 1mqt s LEU 229 Ca 0.60 2.51 -0.18 0.00 -0.22 0.00 0.00 54.13 56.84 1mqt s LEU 229 Cb -0.73 -3.98 0.04 0.00 0.50 0.00 0.00 46.19 42.02 1mqt s LEU 229 CO 0.59 -0.80 0.49 -0.94 -1.32 0.00 0.00 176.35 174.37 1mqt s SER 230 N -0.95 -0.33 -0.14 3.68 1.04 -0.48 -4.51 113.70 112.02 1mqt s SER 230 Ca 0.58 -0.29 -0.32 0.00 0.48 0.00 0.00 55.95 56.39 1mqt s SER 230 Cb -0.34 0.54 0.13 0.00 0.10 0.00 0.00 66.02 66.45 1mqt s SER 230 CO 0.44 -0.95 1.09 -0.72 0.98 0.00 0.00 173.24 174.07 1mqt s TYR 231 N -3.81 -0.23 0.59 5.02 -0.85 -1.26 -2.45 117.35 114.35 1mqt s TYR 231 Ca 0.05 0.21 -0.08 0.00 -0.52 0.00 0.00 57.07 56.72 1mqt s TYR 231 Cb 0.00 0.51 -0.02 0.00 0.38 0.00 0.00 41.96 42.84 1mqt s TYR 231 CO -0.09 -0.32 0.94 -1.12 -1.52 0.00 0.00 175.55 173.44 1mqt s SER 232 N -2.01 5.92 0.31 -0.18 0.01 -1.26 -4.98 113.70 111.51 1mqt s SER 232 Ca 0.06 1.03 -0.30 0.00 1.31 0.00 0.00 55.95 58.06 1mqt s SER 232 Cb -0.01 -2.09 -0.12 0.00 0.21 0.00 0.00 66.02 64.01 1mqt s SER 232 CO -0.05 -0.93 1.55 0.00 0.41 0.00 0.00 173.24 174.21 1mqt n ALA 233 N -2.62 2.36 0.00 1.44 0.00 -1.26 -2.08 120.51 118.35 1mqt n ALA 233 Ca 0.04 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1mqt n ALA 233 Cb 0.56 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.58 1mqt n ALA 233 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mqt n GLY 234 N 1.71 2.35 3.76 0.00 0.00 -1.26 -5.06 105.19 106.69 1mqt n GLY 234 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 1mqt n GLY 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mqt s ALA 235 N -2.38 2.38 0.28 4.61 0.00 -0.88 -4.91 121.76 120.85 1mqt s ALA 235 Ca 0.00 0.52 -0.30 0.00 0.00 0.00 0.00 51.96 52.18 1mqt s ALA 235 Cb 0.00 -3.32 -0.12 0.00 0.00 0.00 0.00 23.12 19.68 1mqt s ALA 235 CO 0.00 -1.45 1.63 -0.08 0.00 0.00 0.00 175.76 175.86 1mqt s THR 236 N -2.43 2.00 -0.16 0.00 -1.32 -1.26 -4.90 115.64 107.57 1mqt s THR 236 Ca 0.66 0.00 0.21 0.00 -1.21 0.00 0.00 61.69 61.36 1mqt s THR 236 Cb -0.21 -3.00 -0.12 0.00 -1.51 0.00 0.00 72.50 67.66 1mqt s THR 236 CO 0.45 0.00 0.81 1.07 -2.21 0.00 0.00 174.62 174.74 1mqt n THR 237 N 2.44 0.60 -3.30 5.08 5.66 -1.26 -4.84 114.28 118.66 1mqt n THR 237 Ca 0.09 -0.58 -0.44 0.00 -3.05 0.00 0.00 64.05 60.08 1mqt n THR 237 Cb 0.37 -0.33 -0.07 0.00 -1.55 0.00 0.00 70.33 68.75 1mqt n THR 237 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 1mqt s TYR 238 N -3.29 3.17 -0.37 1.09 1.51 -1.26 -5.02 117.35 113.18 1mqt s TYR 238 Ca -0.03 -0.74 -0.01 0.00 -1.01 0.00 0.00 57.07 55.27 1mqt s TYR 238 Cb 0.10 -3.28 0.10 0.00 -0.11 0.00 0.00 41.96 38.77 1mqt s TYR 238 CO 0.83 -0.88 0.12 0.08 -1.11 0.00 0.00 175.55 174.60 1mqt s VAL 239 N 2.04 2.96 0.52 0.71 1.01 -1.26 -5.05 120.40 121.34 1mqt s VAL 239 Ca 0.09 -2.01 -0.07 0.00 0.00 0.00 0.00 61.98 59.99 1mqt s VAL 239 Cb -0.22 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 1mqt s VAL 239 CO 0.09 -0.56 0.86 -2.16 0.00 0.00 0.00 175.10 173.33 1mqt s PRO 240 N 1.10 3.56 -0.04 2.72 0.04 -1.26 -0.73 135.00 140.38 1mqt s PRO 240 Ca 0.06 0.37 0.05 0.00 0.04 0.00 0.00 61.00 61.52 1mqt s PRO 240 Cb -0.21 -2.29 -0.01 0.00 0.04 0.00 0.00 34.50 32.03 1mqt s PRO 240 CO -0.05 -0.32 -0.20 0.42 0.04 0.00 0.00 177.00 176.90 1mqt s ILE 241 N -2.87 1.60 -0.05 0.56 1.01 0.30 -4.26 121.20 117.48 1mqt s ILE 241 Ca 0.50 -0.83 0.01 0.00 0.00 0.00 0.00 60.65 60.33 1mqt s ILE 241 Cb -0.10 -1.35 0.02 0.00 0.01 0.00 0.00 42.46 41.03 1mqt s ILE 241 CO 0.48 0.45 -0.04 -0.89 0.00 0.00 0.00 174.94 174.94 1mqt s THR 242 N -0.16 0.56 -0.19 2.92 2.01 0.29 -1.59 115.64 119.49 1mqt s THR 242 Ca -0.00 -0.11 -0.10 0.00 0.31 0.00 0.00 61.69 61.79 1mqt s THR 242 Cb -0.11 -0.60 -0.05 0.00 0.01 0.00 0.00 72.50 71.75 1mqt s THR 242 CO 0.02 0.24 0.14 -0.69 -0.69 0.00 0.00 174.62 173.64 1mqt s VAL 243 N 1.12 5.41 -0.09 3.82 1.01 -1.26 -0.78 120.40 129.63 1mqt s VAL 243 Ca -0.08 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.13 1mqt s VAL 243 Cb -0.14 -3.47 0.02 0.00 0.00 0.00 0.00 36.38 32.79 1mqt s VAL 243 CO -0.01 0.46 -0.08 -0.89 0.00 0.00 0.00 175.10 174.58 1mqt s THR 244 N 0.19 0.97 0.08 3.92 2.01 -0.60 -1.73 115.64 120.48 1mqt s THR 244 Ca 0.10 -0.29 0.07 0.00 0.31 0.00 0.00 61.69 61.88 1mqt s THR 244 Cb -0.11 -0.97 -0.03 0.00 0.01 0.00 0.00 72.50 71.40 1mqt s THR 244 CO -0.01 0.35 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.38 1mqt s VAL 245 N 1.40 1.60 -0.12 3.82 1.01 0.21 -0.64 120.40 127.69 1mqt s VAL 245 Ca -0.01 -1.40 -0.02 0.00 0.00 0.00 0.00 61.98 60.55 1mqt s VAL 245 Cb -0.13 -1.45 0.04 0.00 0.00 0.00 0.00 36.38 34.84 1mqt s VAL 245 CO -0.04 -0.00 0.03 0.00 0.00 0.00 0.00 175.10 175.08 1mqt s ALA 246 N -1.06 0.72 0.40 5.51 0.00 -0.79 -0.24 121.76 126.29 1mqt s ALA 246 Ca 0.06 -0.28 -0.27 0.00 0.00 0.00 0.00 51.96 51.46 1mqt s ALA 246 Cb -0.10 -0.89 -0.10 0.00 0.00 0.00 0.00 23.12 22.03 1mqt s ALA 246 CO 0.03 -0.75 1.37 -2.30 0.00 0.00 0.00 175.76 174.11 1mqt n PRO 247 N 5.15 2.25 -3.83 0.00 -0.02 -1.24 -1.59 135.00 135.72 1mqt n PRO 247 Ca -0.07 0.80 -0.25 0.00 -2.02 0.00 0.00 63.50 61.96 1mqt n PRO 247 Cb 0.49 -2.50 -0.17 0.00 -0.02 0.00 0.00 33.50 31.30 1mqt n PRO 247 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1mqt s MET 248 N -2.15 1.04 -0.89 -0.52 -1.94 0.12 -3.94 119.30 111.02 1mqt s MET 248 Ca 0.57 -0.06 -0.01 0.00 -1.71 0.00 0.00 55.69 54.48 1mqt s MET 248 Cb -0.50 -1.27 -0.02 0.00 2.01 0.00 0.00 34.83 35.05 1mqt s MET 248 CO 0.61 -0.29 0.76 0.00 -0.01 0.00 0.00 175.02 176.08 1mqt s ALA 250 N -3.29 3.42 0.19 0.00 0.00 -1.26 -4.43 121.76 116.40 1mqt s ALA 250 Ca 0.11 0.19 0.10 0.00 0.00 0.00 0.00 51.96 52.36 1mqt s ALA 250 Cb -0.01 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.81 1mqt s ALA 250 CO 0.57 -0.51 -0.16 -1.21 0.00 0.00 0.00 175.76 174.45 1mqt s GLU 251 N 1.78 1.81 0.02 0.00 2.02 -0.65 -4.26 118.70 119.42 1mqt s GLU 251 Ca 0.42 -1.41 -0.00 0.00 0.02 0.00 0.00 54.97 54.00 1mqt s GLU 251 Cb -0.18 -2.00 -0.02 0.00 0.10 0.00 0.00 34.13 32.03 1mqt s GLU 251 CO 0.16 0.41 -0.02 0.71 0.02 0.00 0.00 175.26 176.54 1mqt s TYR 252 N -1.73 0.23 0.14 1.61 2.02 -0.96 -2.23 117.35 116.44 1mqt s TYR 252 Ca 0.23 -0.47 -0.03 0.00 -0.37 0.00 0.00 57.07 56.44 1mqt s TYR 252 Cb -0.08 -0.17 -0.03 0.00 -0.40 0.00 0.00 41.96 41.28 1mqt s TYR 252 CO 0.13 -0.17 0.11 -0.80 -1.57 0.00 0.00 175.55 173.25 1mqt s ASN 253 N -1.31 0.24 -0.68 2.29 -0.87 -0.13 -1.87 114.94 112.61 1mqt s ASN 253 Ca -0.14 -1.14 -0.03 0.00 -1.57 0.00 0.00 52.86 49.98 1mqt s ASN 253 Cb -0.09 0.33 0.00 0.00 -0.02 0.00 0.00 41.25 41.48 1mqt s ASN 253 CO -0.01 -0.78 0.68 0.61 -2.57 0.00 0.00 177.10 175.03 1mqt n GLY 254 N -0.13 -1.24 3.81 0.66 0.00 -1.26 -1.94 105.19 105.08 1mqt n GLY 254 Ca -0.05 0.60 -0.34 0.00 0.00 0.00 0.00 46.02 46.23 1mqt n GLY 254 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1mqt s LEU 255 N -3.74 3.96 0.00 0.99 2.96 -1.26 -1.30 118.68 120.28 1mqt s LEU 255 Ca 0.04 1.78 0.00 0.00 -0.22 0.00 0.00 54.13 55.73 1mqt s LEU 255 Cb -0.01 -4.49 0.00 0.00 0.50 0.00 0.00 46.19 42.19 1mqt s LEU 255 CO 0.75 -0.44 0.00 -2.11 -1.32 0.00 0.00 176.35 173.22 1mqt n ARG 256 N -0.59 0.00 -0.94 1.98 1.85 -0.78 -4.97 116.66 113.22 1mqt n ARG 256 Ca 0.07 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 56.63 1mqt n ARG 256 Cb 0.53 0.00 0.23 0.00 -1.05 0.00 0.00 32.46 32.17 1mqt n ARG 256 CO 0.00 0.00 0.00 -0.48 -0.01 0.00 0.00 177.63 177.14 1mqt s LEU 257 N 0.00 0.78 0.28 2.89 2.34 -1.26 -4.80 118.68 118.91 1mqt s LEU 257 Ca 0.00 0.98 0.08 0.00 0.06 0.00 0.00 54.13 55.26 1mqt s LEU 257 Cb 0.00 -2.86 -0.04 0.00 -0.56 0.00 0.00 46.19 42.73 1mqt s LEU 257 CO 0.00 -3.96 0.12 0.00 -1.06 0.00 0.00 176.35 171.44 1mqt s ALA 258 N -2.82 3.43 0.00 1.48 0.00 -1.26 -4.60 121.76 117.99 1mqt s ALA 258 Ca 0.68 -1.59 0.00 0.00 0.00 0.00 0.00 51.96 51.05 1mqt s ALA 258 Cb -0.16 -1.00 0.00 0.00 0.00 0.00 0.00 23.12 21.96 1mqt s ALA 258 CO 0.58 0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.96 1mqt n GLY 259 N -1.08 0.33 0.00 0.00 0.00 -1.09 -5.00 105.19 98.34 1mqt n GLY 259 Ca -0.06 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1mqt n GLY 259 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1mqt n LYS 260 N 0.00 0.00 -0.07 1.61 2.85 -1.26 -4.84 118.16 116.45 1mqt n LYS 260 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1mqt n LYS 260 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1mqt n LYS 260 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39