#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uua n ARG 12 N 0.00 0.00 -2.31 -1.58 0.00 -1.26 -5.11 116.66 106.40 2uua n ARG 12 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2uua n ARG 12 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 32.46 32.46 2uua n ARG 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 2uua n GLN 13 N 0.00 -4.14 0.00 -0.14 1.13 -1.23 -5.05 117.38 107.95 2uua n GLN 13 Ca 0.00 3.01 0.00 0.00 -1.94 0.00 0.00 57.00 58.07 2uua n GLN 13 Cb 0.00 -3.89 0.00 0.00 0.11 0.00 0.00 30.24 26.46 2uua n GLN 13 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2uua n VAL 14 N 1.89 0.00 -0.78 5.09 0.31 -0.86 -5.03 118.33 118.95 2uua n VAL 14 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 2uua n VAL 14 Cb 0.02 -1.03 0.00 0.00 -0.91 0.00 0.00 33.84 31.92 2uua n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2uua n ALA 15 N -2.73 0.00 -3.62 3.52 0.00 -1.25 -4.86 120.51 111.57 2uua n ALA 15 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 2uua n ALA 15 Cb 0.33 -1.25 -0.06 0.00 0.00 0.00 0.00 19.45 18.47 2uua n ALA 15 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2uua s SER 16 N -1.87 -0.43 0.00 0.00 1.04 -1.25 -2.76 113.70 108.43 2uua s SER 16 Ca 0.00 0.67 0.00 0.00 0.48 0.00 0.00 55.95 57.10 2uua s SER 16 Cb 0.00 1.20 0.00 0.00 0.10 0.00 0.00 66.02 67.32 2uua s SER 16 CO 0.00 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.72 2uua n GLY 17 N 3.68 2.09 3.59 7.32 0.00 -1.07 -3.79 105.19 117.00 2uua n GLY 17 Ca -0.18 -0.34 -0.27 0.00 0.00 0.00 0.00 46.02 45.23 2uua n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2uua s ARG 18 N 2.09 2.12 -0.30 1.61 3.00 -0.62 -0.68 118.95 126.18 2uua s ARG 18 Ca 0.00 -1.20 -0.01 0.00 0.00 0.00 0.00 55.73 54.52 2uua s ARG 18 Cb 0.00 -2.21 0.09 0.00 0.00 0.00 0.00 34.95 32.83 2uua s ARG 18 CO 0.00 0.45 0.08 0.00 0.00 0.00 0.00 175.30 175.83 2uua s ALA 19 N -1.63 1.62 -0.16 2.13 0.00 0.14 -0.69 121.76 123.16 2uua s ALA 19 Ca 0.25 -1.62 -0.17 0.00 0.00 0.00 0.00 51.96 50.41 2uua s ALA 19 Cb -0.09 -1.59 -0.04 0.00 0.00 0.00 0.00 23.12 21.39 2uua s ALA 19 CO 0.15 -1.59 0.45 0.71 0.00 0.00 0.00 175.76 175.49 2uua s TYR 20 N 1.57 3.44 -0.28 0.00 1.51 0.44 -0.91 117.35 123.12 2uua s TYR 20 Ca 0.08 0.77 -0.02 0.00 -1.01 0.00 0.00 57.07 56.89 2uua s TYR 20 Cb -0.17 -2.56 0.04 0.00 -0.11 0.00 0.00 41.96 39.16 2uua s TYR 20 CO -0.21 0.06 -0.02 0.42 -1.11 0.00 0.00 175.55 174.69 2uua s ILE 21 N 1.03 2.99 -0.56 2.71 1.01 -0.12 -0.51 121.20 127.75 2uua s ILE 21 Ca 0.23 -1.22 -0.13 0.00 0.00 0.00 0.00 60.65 59.53 2uua s ILE 21 Cb -0.15 -2.64 0.14 0.00 0.01 0.00 0.00 42.46 39.82 2uua s ILE 21 CO 0.09 0.01 0.48 -2.28 0.00 0.00 0.00 174.94 173.24 2uua s HIS 22 N 1.29 3.39 -0.26 3.97 5.65 0.25 -1.39 115.29 128.18 2uua s HIS 22 Ca -0.03 -1.65 -0.11 0.00 0.25 0.00 0.00 55.06 53.52 2uua s HIS 22 Cb -0.19 -3.68 -0.05 0.00 -1.18 0.00 0.00 32.58 27.49 2uua s HIS 22 CO -0.02 -1.00 0.19 0.00 -0.65 0.00 0.00 174.74 173.25 2uua s ALA 23 N 1.25 3.56 0.40 1.58 0.00 -0.10 -1.26 121.76 127.19 2uua s ALA 23 Ca 0.07 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 51.06 2uua s ALA 23 Cb -0.26 -2.43 -0.04 0.00 0.00 0.00 0.00 23.12 20.40 2uua s ALA 23 CO -0.00 -0.41 0.08 -1.54 0.00 0.00 0.00 175.76 173.89 2uua s SER 24 N 1.48 2.91 0.00 0.00 1.04 -0.53 -2.20 113.70 116.40 2uua s SER 24 Ca 0.08 -1.57 0.06 0.00 0.48 0.00 0.00 55.95 54.99 2uua s SER 24 Cb -0.15 0.30 0.29 0.00 0.10 0.00 0.00 66.02 66.56 2uua s SER 24 CO 0.08 -0.81 1.20 -1.22 0.98 0.00 0.00 173.24 173.48 2uua n TYR 25 N -0.90 0.06 0.00 5.02 4.02 -1.26 -3.40 117.16 120.70 2uua n TYR 25 Ca -0.07 -0.03 0.00 0.00 -0.01 0.00 0.00 57.90 57.79 2uua n TYR 25 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.98 2uua n TYR 25 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2uua n ASN 26 N -0.42 0.88 -3.64 7.72 3.02 -1.26 -4.78 115.26 116.77 2uua n ASN 26 Ca 0.05 -0.35 -0.02 0.00 -0.03 0.00 0.00 54.58 54.23 2uua n ASN 26 Cb 0.06 0.87 -0.03 0.00 -0.61 0.00 0.00 39.78 40.07 2uua n ASN 26 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2uua s ASN 27 N -1.04 -0.02 -0.06 6.41 3.84 -1.22 -3.07 114.94 119.78 2uua s ASN 27 Ca 0.00 0.01 0.06 0.00 0.21 0.00 0.00 52.86 53.13 2uua s ASN 27 Cb 0.00 0.02 -0.01 0.00 -0.55 0.00 0.00 41.25 40.71 2uua s ASN 27 CO 0.00 -0.02 -0.24 -0.89 -2.79 0.00 0.00 177.10 173.15 2uua s THR 28 N -1.75 2.01 -0.04 -5.21 2.01 -1.25 -1.45 115.64 109.97 2uua s THR 28 Ca 0.11 -1.04 -0.01 0.00 0.31 0.00 0.00 61.69 61.07 2uua s THR 28 Cb -0.01 -1.71 0.03 0.00 0.01 0.00 0.00 72.50 70.82 2uua s THR 28 CO -0.04 0.56 0.03 -0.51 -0.69 0.00 0.00 174.62 173.96 2uua s ILE 29 N -0.08 0.07 -0.17 1.82 2.07 -0.39 -3.18 121.20 121.34 2uua s ILE 29 Ca -0.06 0.23 -0.07 0.00 -1.41 0.00 0.00 60.65 59.34 2uua s ILE 29 Cb -0.14 -0.24 -0.04 0.00 0.13 0.00 0.00 42.46 42.17 2uua s ILE 29 CO 0.04 0.17 0.08 -0.69 -1.91 0.00 0.00 174.94 172.63 2uua s VAL 30 N 1.58 4.95 -0.16 4.00 1.01 -0.41 -0.58 120.40 130.78 2uua s VAL 30 Ca -0.02 0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.98 2uua s VAL 30 Cb -0.13 -3.21 0.03 0.00 0.00 0.00 0.00 36.38 33.07 2uua s VAL 30 CO -0.03 0.50 -0.13 -0.89 0.00 0.00 0.00 175.10 174.54 2uua s THR 31 N 0.02 1.59 -0.12 3.92 2.01 0.33 -0.75 115.64 122.64 2uua s THR 31 Ca 0.07 -0.71 -0.06 0.00 0.31 0.00 0.00 61.69 61.29 2uua s THR 31 Cb -0.12 -1.53 -0.04 0.00 0.01 0.00 0.00 72.50 70.82 2uua s THR 31 CO 0.01 0.40 0.12 -0.63 -0.69 0.00 0.00 174.62 173.82 2uua s ILE 32 N 1.47 5.30 0.35 1.82 1.01 0.11 -0.42 121.20 130.83 2uua s ILE 32 Ca 0.04 0.13 0.05 0.00 0.00 0.00 0.00 60.65 60.87 2uua s ILE 32 Cb -0.13 -3.30 -0.03 0.00 0.01 0.00 0.00 42.46 39.00 2uua s ILE 32 CO -0.10 0.61 0.20 0.42 0.00 0.00 0.00 174.94 176.06 2uua s THR 33 N -0.91 0.27 0.88 2.92 -4.23 0.13 0.04 115.64 114.74 2uua s THR 33 Ca 0.14 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.53 2uua s THR 33 Cb -0.12 -2.44 0.16 0.00 1.34 0.00 0.00 72.50 71.44 2uua s THR 33 CO 0.03 0.00 1.22 1.51 -0.54 0.00 0.00 174.62 176.85 2uua s ASP 34 N -3.45 3.65 0.00 3.99 1.47 0.61 -1.59 116.67 121.35 2uua s ASP 34 Ca 0.33 0.25 0.02 0.00 1.18 0.00 0.00 52.55 54.34 2uua s ASP 34 Cb 0.03 -0.46 0.13 0.00 -0.34 0.00 0.00 42.92 42.28 2uua s ASP 34 CO 0.20 -2.38 0.77 -2.65 0.68 0.00 0.00 175.17 171.79 2uua n PRO 35 N -3.48 0.05 -0.10 2.11 -0.02 -1.25 -1.11 135.00 131.20 2uua n PRO 35 Ca 0.14 0.14 0.06 0.00 -2.02 0.00 0.00 63.50 61.82 2uua n PRO 35 Cb 0.60 -1.50 0.11 0.00 -0.02 0.00 0.00 33.50 32.69 2uua n PRO 35 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2uua n ASP 36 N -1.15 2.54 0.00 2.55 10.43 -1.26 -4.97 116.55 124.69 2uua n ASP 36 Ca 0.01 -1.77 0.00 0.00 2.57 0.00 0.00 54.79 55.61 2uua n ASP 36 Cb 0.01 -0.13 0.00 0.00 1.84 0.00 0.00 41.12 42.84 2uua n ASP 36 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2uua n GLY 37 N 0.65 0.72 3.66 0.44 0.00 -0.27 -5.03 105.19 105.35 2uua n GLY 37 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 2uua n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2uua s ASN 38 N -2.35 6.84 0.18 1.61 -0.87 -1.26 -4.77 114.94 114.33 2uua s ASN 38 Ca 0.00 1.04 -0.32 0.00 -1.57 0.00 0.00 52.86 52.01 2uua s ASN 38 Cb 0.00 -2.42 -0.12 0.00 -0.02 0.00 0.00 41.25 38.68 2uua s ASN 38 CO 0.00 -0.42 1.72 -0.81 -2.57 0.00 0.00 177.10 175.02 2uua n PRO 39 N 5.52 2.64 -0.11 -0.60 -0.04 -1.26 -0.28 135.00 140.87 2uua n PRO 39 Ca 0.04 0.95 -0.24 0.00 -0.04 0.00 0.00 63.50 64.21 2uua n PRO 39 Cb 0.48 -2.79 -0.11 0.00 -0.04 0.00 0.00 33.50 31.04 2uua n PRO 39 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2uua n ILE 40 N 4.00 1.56 -3.63 0.52 5.41 0.11 -4.88 119.36 122.44 2uua n ILE 40 Ca 0.17 -0.42 -0.10 0.00 1.00 0.00 0.00 62.75 63.40 2uua n ILE 40 Cb 0.34 -1.75 -0.03 0.00 -0.71 0.00 0.00 39.64 37.48 2uua n ILE 40 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 2uua s THR 41 N -2.49 0.02 0.28 1.39 -4.23 -1.12 -5.04 115.64 104.45 2uua s THR 41 Ca -0.33 -0.53 -0.08 0.00 -1.18 0.00 0.00 61.69 59.57 2uua s THR 41 Cb 0.10 -1.36 -0.00 0.00 1.34 0.00 0.00 72.50 72.58 2uua s THR 41 CO 0.58 -0.11 0.45 -1.66 -0.54 0.00 0.00 174.62 173.34 2uua s TRP 42 N -3.83 0.68 0.23 3.99 1.48 -1.26 0.08 118.94 120.31 2uua s TRP 42 Ca 0.06 -1.00 -0.22 0.00 -1.06 0.00 0.00 56.10 53.88 2uua s TRP 42 Cb -0.01 0.03 0.05 0.00 -1.16 0.00 0.00 33.47 32.39 2uua s TRP 42 CO -0.07 -1.02 0.88 0.45 -4.06 0.00 0.00 176.95 173.13 2uua s SER 43 N -3.11 -0.14 0.10 -2.66 0.15 0.07 -4.72 113.70 103.39 2uua s SER 43 Ca 0.27 -0.62 -0.25 0.00 0.70 0.00 0.00 55.95 56.05 2uua s SER 43 Cb 0.00 0.61 0.09 0.00 -1.71 0.00 0.00 66.02 65.01 2uua s SER 43 CO 0.13 -1.16 1.12 -0.94 1.20 0.00 0.00 173.24 173.59 2uua s SER 44 N -3.03 -0.03 0.53 5.45 1.04 -1.26 -1.29 113.70 115.10 2uua s SER 44 Ca 0.14 -0.45 0.18 0.00 0.48 0.00 0.00 55.95 56.30 2uua s SER 44 Cb -0.03 0.37 1.33 0.00 0.10 0.00 0.00 66.02 67.78 2uua s SER 44 CO 0.05 -0.71 2.16 1.23 0.98 0.00 0.00 173.24 176.95 2uua h GLY 45 N 2.00 0.00 0.93 7.32 0.00 -1.81 -0.91 103.07 110.60 2uua h GLY 45 Ca -0.26 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 46.84 2uua h GLY 45 CO 0.32 0.00 -0.97 -1.33 0.00 0.00 0.00 176.54 174.56 2uua h GLY 46 N 0.00 0.51 0.52 4.60 0.00 -1.90 -3.05 103.07 103.75 2uua h GLY 46 Ca 0.01 -1.12 0.12 0.00 0.00 0.00 0.00 47.33 46.34 2uua h GLY 46 CO -0.00 0.98 0.61 -2.08 0.00 0.00 0.00 176.54 176.06 2uua h VAL 47 N -0.06 0.91 -3.16 4.60 2.07 -1.54 -3.39 116.25 115.68 2uua h VAL 47 Ca -0.15 -0.31 -0.16 0.00 0.82 0.00 0.00 66.70 66.89 2uua h VAL 47 Cb 1.71 -0.08 0.05 0.00 -1.52 0.00 0.00 31.29 31.45 2uua h VAL 47 CO 0.18 0.17 0.12 -0.38 0.02 0.00 0.00 177.57 177.68 2uua n ILE 48 N -4.59 0.00 -0.19 4.57 2.08 -0.47 -4.93 119.36 115.83 2uua n ILE 48 Ca 0.18 -0.44 -0.00 0.00 0.56 0.00 0.00 62.75 63.05 2uua n ILE 48 Cb 0.37 -1.61 0.10 0.00 -0.75 0.00 0.00 39.64 37.75 2uua n ILE 48 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 2uua h GLY 49 N -0.51 0.77 -4.38 7.39 0.00 -1.76 -3.46 103.07 101.11 2uua h GLY 49 Ca -0.15 -0.06 -0.62 0.00 0.00 0.00 0.00 47.33 46.49 2uua h GLY 49 CO 0.12 -0.07 -0.39 -1.72 0.00 0.00 0.00 176.54 174.48 2uua n TYR 50 N -5.07 -0.32 0.00 5.60 0.53 -1.16 -4.94 117.16 111.80 2uua n TYR 50 Ca 0.08 0.72 0.00 0.00 -1.02 0.00 0.00 57.90 57.68 2uua n TYR 50 Cb 0.29 -2.01 0.00 0.00 -1.03 0.00 0.00 39.34 36.59 2uua n TYR 50 CO 0.00 0.00 0.00 1.63 -1.02 0.00 0.00 176.86 177.47 2uua n LYS 51 N 0.81 0.00 0.00 -0.72 5.02 -1.26 -3.95 118.16 118.07 2uua n LYS 51 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 2uua n LYS 51 Cb 0.34 -0.46 0.00 0.00 -0.02 0.00 0.00 35.03 34.89 2uua n LYS 51 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2uua n GLY 52 N 2.67 0.85 0.14 0.72 0.00 -1.26 -4.83 105.19 103.48 2uua n GLY 52 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 2uua n GLY 52 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2uua n SER 53 N 0.00 0.50 0.09 1.61 3.41 -1.26 -3.67 113.62 114.30 2uua n SER 53 Ca 0.00 -0.78 0.11 0.00 -0.26 0.00 0.00 58.87 57.94 2uua n SER 53 Cb 0.00 -0.06 0.45 0.00 -0.26 0.00 0.00 64.21 64.34 2uua n SER 53 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2uua n ARG 54 N -0.81 0.16 0.08 4.33 1.74 -1.26 -2.90 116.66 117.99 2uua n ARG 54 Ca 0.17 0.34 -0.02 0.00 -0.77 0.00 0.00 57.85 57.56 2uua n ARG 54 Cb 0.25 -1.77 0.22 0.00 -1.02 0.00 0.00 32.46 30.14 2uua n ARG 54 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2uua h LYS 55 N 0.00 0.30 0.00 5.56 1.57 -1.81 -2.39 116.57 119.81 2uua h LYS 55 Ca 0.00 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 2uua h LYS 55 Cb 0.40 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.71 2uua h LYS 55 CO 0.00 0.64 0.00 0.41 -0.57 0.00 0.00 179.45 179.93 2uua n GLY 56 N -0.23 -1.37 3.76 3.86 0.00 -1.14 -3.76 105.19 106.31 2uua n GLY 56 Ca -0.01 -0.06 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 2uua n GLY 56 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2uua s THR 57 N -3.04 2.01 0.23 2.61 2.01 -0.90 -4.42 115.64 114.14 2uua s THR 57 Ca 0.11 0.01 -0.07 0.00 0.31 0.00 0.00 61.69 62.04 2uua s THR 57 Cb 0.14 -3.00 0.21 0.00 0.01 0.00 0.00 72.50 69.86 2uua s THR 57 CO 0.45 0.00 1.86 1.55 -0.69 0.00 0.00 174.62 177.79 2uua h PRO 58 N 1.95 1.26 -0.61 4.92 0.13 -1.87 -2.33 132.00 135.44 2uua h PRO 58 Ca -0.51 -0.15 0.10 0.00 -0.87 0.00 0.00 66.00 64.57 2uua h PRO 58 Cb 1.28 -0.25 -0.08 0.00 0.13 0.00 0.00 31.00 32.09 2uua h PRO 58 CO 0.59 0.92 0.21 -0.92 -0.23 0.00 0.00 178.00 178.57 2uua h TYR 59 N 1.26 0.36 0.15 1.56 3.20 -1.91 0.30 116.97 121.89 2uua h TYR 59 Ca 0.32 0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.24 2uua h TYR 59 Cb 0.03 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.19 2uua h TYR 59 CO 0.01 0.07 -0.40 0.00 -1.64 0.00 0.00 178.16 176.20 2uua h ALA 60 N 1.44 -0.73 -0.69 1.82 0.00 -1.65 -0.57 119.26 118.88 2uua h ALA 60 Ca 0.31 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.27 2uua h ALA 60 Cb 0.41 0.66 -0.13 0.00 0.00 0.00 0.00 17.79 18.73 2uua h ALA 60 CO -0.33 -0.97 -0.31 0.00 0.00 0.00 0.00 179.25 177.63 2uua h ALA 61 N -0.17 0.10 -0.14 0.00 0.00 -0.51 0.28 119.26 118.83 2uua h ALA 61 Ca 0.02 0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.16 2uua h ALA 61 Cb 0.67 0.78 -0.05 0.00 0.00 0.00 0.00 17.79 19.18 2uua h ALA 61 CO -0.22 -0.61 -0.45 0.37 0.00 0.00 0.00 179.25 178.34 2uua h GLN 62 N -0.10 -0.44 0.22 0.00 4.15 0.70 0.36 115.11 119.99 2uua h GLN 62 Ca 0.28 0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.73 2uua h GLN 62 Cb 0.56 0.10 -0.04 0.00 0.21 0.00 0.00 27.48 28.31 2uua h GLN 62 CO -0.75 -0.30 -0.53 -0.07 -1.93 0.00 0.00 178.83 175.26 2uua h LEU 63 N -0.46 -1.55 -0.89 -2.39 3.38 0.28 0.51 115.31 114.19 2uua h LEU 63 Ca 0.03 0.15 0.24 0.00 0.09 0.00 0.00 57.88 58.39 2uua h LEU 63 Cb 0.55 0.56 -0.16 0.00 0.09 0.00 0.00 40.66 41.70 2uua h LEU 63 CO -0.37 -0.59 0.10 0.00 0.09 0.00 0.00 178.44 177.67 2uua h ALA 64 N -0.61 1.12 -0.08 1.53 0.00 0.01 0.63 119.26 121.86 2uua h ALA 64 Ca -0.02 0.28 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2uua h ALA 64 Cb 0.79 0.45 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2uua h ALA 64 CO -0.23 -0.51 0.00 0.00 0.00 0.00 0.00 179.25 178.51 2uua h ALA 65 N 1.84 0.10 -0.92 0.00 0.00 0.37 -1.42 119.26 119.24 2uua h ALA 65 Ca 0.54 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.30 2uua h ALA 65 Cb 1.08 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 2uua h ALA 65 CO -0.76 -0.22 0.60 -0.07 0.00 0.00 0.00 179.25 178.79 2uua h LEU 66 N -0.15 1.01 -0.03 0.00 3.38 0.14 -0.30 115.31 119.36 2uua h LEU 66 Ca 0.02 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.00 2uua h LEU 66 Cb 0.34 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 2uua h LEU 66 CO 0.00 0.70 -0.10 -0.78 0.09 0.00 0.00 178.44 178.35 2uua h ASP 67 N 1.18 -0.30 -0.95 -0.43 1.82 0.34 -1.32 116.42 116.75 2uua h ASP 67 Ca 0.36 0.05 0.05 0.00 -0.39 0.00 0.00 57.03 57.10 2uua h ASP 67 Cb -0.04 0.14 -0.06 0.00 0.68 0.00 0.00 39.33 40.05 2uua h ASP 67 CO -0.11 -0.15 0.61 0.00 -1.61 0.00 0.00 179.24 177.98 2uua h ALA 68 N 0.83 1.29 -0.40 -0.78 0.00 -0.68 -2.01 119.26 117.53 2uua h ALA 68 Ca 0.05 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2uua h ALA 68 Cb 0.23 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2uua h ALA 68 CO -0.13 0.42 0.19 0.00 0.00 0.00 0.00 179.25 179.73 2uua h ALA 69 N 1.42 0.49 0.65 0.00 0.00 -0.22 -1.06 119.26 120.54 2uua h ALA 69 Ca 0.40 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.30 2uua h ALA 69 Cb 0.12 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.86 2uua h ALA 69 CO -0.16 -0.17 -0.31 0.87 0.00 0.00 0.00 179.25 179.48 2uua h LYS 70 N 0.39 -0.84 -0.37 0.00 1.57 -0.79 0.15 116.57 116.67 2uua h LYS 70 Ca 0.17 0.06 0.11 0.00 -1.87 0.00 0.00 60.65 59.12 2uua h LYS 70 Cb 0.08 0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 2uua h LYS 70 CO -0.12 -0.52 0.68 0.87 -0.57 0.00 0.00 179.45 179.79 2uua h LYS 71 N -1.06 0.00 0.08 3.15 1.57 -1.27 0.62 116.57 119.66 2uua h LYS 71 Ca -0.09 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.48 2uua h LYS 71 Cb 0.71 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.02 2uua h LYS 71 CO 0.15 0.00 -1.08 0.00 -0.57 0.00 0.00 179.45 177.95 2uua h ALA 72 N 0.99 0.12 -0.95 3.86 0.00 -0.49 -3.33 119.26 119.46 2uua h ALA 72 Ca 0.18 -0.95 0.26 0.00 0.00 0.00 0.00 54.91 54.39 2uua h ALA 72 Cb 1.54 0.38 -0.13 0.00 0.00 0.00 0.00 17.79 19.58 2uua h ALA 72 CO -0.00 0.61 0.47 0.52 0.00 0.00 0.00 179.25 180.85 2uua h MET 73 N -0.53 0.39 -0.90 0.00 2.86 0.30 0.35 114.93 117.41 2uua h MET 73 Ca -0.24 -0.02 0.22 0.00 -2.06 0.00 0.00 59.70 57.60 2uua h MET 73 Cb 1.56 -0.09 -0.13 0.00 0.06 0.00 0.00 31.60 33.00 2uua h MET 73 CO 0.02 0.26 0.39 0.00 1.06 0.00 0.00 176.91 178.64 2uua h ALA 74 N 1.76 1.44 -0.09 6.32 0.00 -1.38 0.37 119.26 127.69 2uua h ALA 74 Ca 0.63 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.70 2uua h ALA 74 Cb 1.27 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.22 2uua h ALA 74 CO -0.55 -0.36 0.00 0.66 0.00 0.00 0.00 179.25 179.00 2uua n TYR 75 N -5.05 0.22 0.00 0.00 4.02 0.12 -4.83 117.16 111.64 2uua n TYR 75 Ca 0.22 -0.08 0.00 0.00 -0.01 0.00 0.00 57.90 58.03 2uua n TYR 75 Cb 0.67 -0.09 0.00 0.00 -0.02 0.00 0.00 39.34 39.89 2uua n TYR 75 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2uua n GLY 76 N 0.32 3.02 2.61 2.72 0.00 0.13 -2.04 105.19 111.95 2uua n GLY 76 Ca 0.04 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.60 2uua n GLY 76 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2uua n MET 77 N -2.00 0.00 0.00 1.61 0.00 -1.18 -3.88 117.12 111.67 2uua n MET 77 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 2uua n MET 77 Cb 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 33.22 32.14 2uua n MET 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 2uua n GLN 78 N 2.02 0.00 -4.30 2.12 6.02 -1.11 -4.36 117.38 117.77 2uua n GLN 78 Ca 0.19 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.95 2uua n GLN 78 Cb 0.00 -0.50 -0.12 0.00 1.02 0.00 0.00 30.24 30.65 2uua n GLN 78 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2uua s SER 79 N -5.07 2.57 0.07 1.08 1.04 -1.17 0.59 113.70 112.80 2uua s SER 79 Ca 0.00 -0.77 -0.12 0.00 0.48 0.00 0.00 55.95 55.54 2uua s SER 79 Cb 0.00 -0.14 0.01 0.00 0.10 0.00 0.00 66.02 65.99 2uua s SER 79 CO 0.00 0.00 0.27 0.68 0.98 0.00 0.00 173.24 175.17 2uua s VAL 80 N -1.63 0.10 -0.21 5.02 -7.23 0.17 -2.61 120.40 114.01 2uua s VAL 80 Ca 0.11 -0.84 -0.11 0.00 -1.81 0.00 0.00 61.98 59.32 2uua s VAL 80 Cb -0.08 -1.09 -0.05 0.00 0.56 0.00 0.00 36.38 35.72 2uua s VAL 80 CO 0.05 -0.47 0.18 -1.81 -0.31 0.00 0.00 175.10 172.74 2uua s ASP 81 N -2.43 6.21 0.10 4.85 -0.00 0.14 -0.89 116.67 124.67 2uua s ASP 81 Ca -0.01 0.23 -0.15 0.00 -0.00 0.00 0.00 52.55 52.63 2uua s ASP 81 Cb 0.01 -2.12 -0.07 0.00 -0.00 0.00 0.00 42.92 40.75 2uua s ASP 81 CO -0.07 0.11 0.51 -0.69 -0.00 0.00 0.00 175.17 175.03 2uua s VAL 82 N 0.71 4.88 -0.11 -1.27 1.01 0.18 -0.69 120.40 125.11 2uua s VAL 82 Ca 0.09 0.88 -0.01 0.00 0.00 0.00 0.00 61.98 62.95 2uua s VAL 82 Cb -0.12 -3.76 0.03 0.00 0.00 0.00 0.00 36.38 32.52 2uua s VAL 82 CO 0.02 0.37 -0.06 -0.63 0.00 0.00 0.00 175.10 174.80 2uua s ILE 83 N -1.31 0.94 -0.17 2.22 1.09 -0.09 -1.86 121.20 122.02 2uua s ILE 83 Ca 0.33 -0.26 -0.05 0.00 -1.10 0.00 0.00 60.65 59.57 2uua s ILE 83 Cb -0.16 -0.99 -0.03 0.00 -1.06 0.00 0.00 42.46 40.21 2uua s ILE 83 CO 0.18 0.33 -0.00 -0.69 -0.10 0.00 0.00 174.94 174.66 2uua s VAL 84 N 1.74 4.17 -0.02 2.92 1.01 0.23 -0.94 120.40 129.51 2uua s VAL 84 Ca 0.05 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 61.80 2uua s VAL 84 Cb -0.13 -2.86 -0.00 0.00 0.00 0.00 0.00 36.38 33.40 2uua s VAL 84 CO -0.08 0.47 -0.10 -0.13 0.00 0.00 0.00 175.10 175.27 2uua s ARG 85 N 0.47 0.94 0.00 2.72 0.52 -0.49 -0.78 118.95 122.33 2uua s ARG 85 Ca -0.01 -0.33 0.00 0.00 -0.52 0.00 0.00 55.73 54.87 2uua s ARG 85 Cb -0.14 -0.89 0.00 0.00 0.52 0.00 0.00 34.95 34.45 2uua s ARG 85 CO 0.02 0.15 0.00 0.41 0.02 0.00 0.00 175.30 175.90 2uua n GLY 86 N 3.16 0.64 0.00 -3.53 0.00 -1.26 -0.92 105.19 103.28 2uua n GLY 86 Ca -0.17 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 43.88 2uua n GLY 86 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2uua n THR 87 N 0.85 0.00 -0.94 2.61 -2.24 -0.94 -4.77 114.28 108.85 2uua n THR 87 Ca 0.00 -0.27 -0.35 0.00 -2.27 0.00 0.00 64.05 61.16 2uua n THR 87 Cb 0.00 1.19 0.03 0.00 -2.10 0.00 0.00 70.33 69.45 2uua n THR 87 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2uua n GLY 88 N 0.32 -3.81 3.70 3.38 0.00 -1.06 -4.81 105.19 102.90 2uua n GLY 88 Ca 0.00 -0.51 -0.31 0.00 0.00 0.00 0.00 46.02 45.20 2uua n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uua s ALA 89 N -1.87 1.61 -0.28 4.61 0.00 -1.25 -3.02 121.76 121.55 2uua s ALA 89 Ca 0.36 0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.65 2uua s ALA 89 Cb -0.07 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.71 2uua s ALA 89 CO 0.72 -2.44 0.00 0.41 0.00 0.00 0.00 175.76 174.45 2uua n GLY 90 N -0.44 0.48 0.12 0.00 0.00 -1.26 -4.73 105.19 99.36 2uua n GLY 90 Ca 0.09 -0.13 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 2uua n GLY 90 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2uua h ARG 91 N 0.36 0.28 0.00 1.61 1.12 -1.85 -2.96 114.38 112.95 2uua h ARG 91 Ca -0.05 -0.18 -0.01 0.00 -1.11 0.00 0.00 59.98 58.62 2uua h ARG 91 Cb 0.57 0.02 -0.00 0.00 -0.01 0.00 0.00 29.97 30.55 2uua h ARG 91 CO 0.08 0.78 -0.06 1.49 -3.11 0.00 0.00 179.97 179.15 2uua h GLU 92 N -0.18 0.00 -0.10 0.20 4.57 -1.89 -2.98 114.58 114.20 2uua h GLU 92 Ca 0.00 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 57.96 2uua h GLU 92 Cb 0.77 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.37 2uua h GLU 92 CO 0.04 0.06 -0.82 1.96 -1.18 0.00 0.00 179.01 179.07 2uua h GLN 93 N 0.00 0.65 -0.94 1.92 1.08 -1.89 -1.80 115.11 114.12 2uua h GLN 93 Ca -0.00 -0.56 0.00 0.00 -1.45 0.00 0.00 58.65 56.64 2uua h GLN 93 Cb 0.60 0.13 -0.05 0.00 -0.05 0.00 0.00 27.48 28.11 2uua h GLN 93 CO 0.01 1.18 0.60 0.00 -0.95 0.00 0.00 178.83 179.67 2uua h ALA 94 N 0.65 1.20 0.72 3.87 0.00 -1.37 0.77 119.26 125.11 2uua h ALA 94 Ca -0.06 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 2uua h ALA 94 Cb 1.44 -0.38 0.01 0.00 0.00 0.00 0.00 17.79 18.85 2uua h ALA 94 CO 0.16 0.62 -0.35 0.82 0.00 0.00 0.00 179.25 180.50 2uua h ILE 95 N 1.29 0.00 -0.51 0.00 1.08 -1.49 -1.49 117.51 116.38 2uua h ILE 95 Ca 0.34 -0.16 0.10 0.00 -0.39 0.00 0.00 64.86 64.75 2uua h ILE 95 Cb -0.11 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 33.53 2uua h ILE 95 CO -0.07 0.00 -0.28 0.03 -0.69 0.00 0.00 178.15 177.14 2uua h ARG 96 N -1.13 -0.15 -0.24 2.37 -0.00 -1.03 -1.13 114.38 113.06 2uua h ARG 96 Ca -0.10 0.01 0.05 0.00 -0.50 0.00 0.00 59.98 59.44 2uua h ARG 96 Cb 0.74 0.03 -0.07 0.00 0.00 0.00 0.00 29.97 30.67 2uua h ARG 96 CO 0.16 -0.10 -0.44 0.00 0.00 0.00 0.00 179.97 179.59 2uua h ALA 97 N 1.06 -0.58 -0.78 0.04 0.00 0.61 0.21 119.26 119.82 2uua h ALA 97 Ca 0.22 0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.33 2uua h ALA 97 Cb 0.52 0.87 -0.05 0.00 0.00 0.00 0.00 17.79 19.13 2uua h ALA 97 CO -0.60 -0.93 0.53 -0.07 0.00 0.00 0.00 179.25 178.18 2uua h LEU 98 N -0.44 0.25 -0.76 0.00 3.38 -0.15 0.45 115.31 118.03 2uua h LEU 98 Ca 0.09 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 2uua h LEU 98 Cb 0.62 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2uua h LEU 98 CO -0.47 0.11 -0.37 1.56 0.09 0.00 0.00 178.44 179.36 2uua h GLN 99 N 0.26 0.51 -0.46 1.13 4.20 0.17 -2.62 115.11 118.29 2uua h GLN 99 Ca 0.39 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.86 2uua h GLN 99 Cb 1.14 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.91 2uua h GLN 99 CO -0.09 0.80 0.00 0.00 -0.67 0.00 0.00 178.83 178.87 2uua n ALA 100 N -2.50 2.44 -0.14 3.87 0.00 0.06 -4.37 120.51 119.88 2uua n ALA 100 Ca -0.01 -0.81 0.05 0.00 0.00 0.00 0.00 53.44 52.67 2uua n ALA 100 Cb 0.49 -0.96 0.25 0.00 0.00 0.00 0.00 19.45 19.23 2uua n ALA 100 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2uua n SER 101 N 0.84 3.88 0.00 0.00 3.41 -0.64 -4.89 113.62 116.21 2uua n SER 101 Ca 0.15 -2.53 0.00 0.00 -0.26 0.00 0.00 58.87 56.23 2uua n SER 101 Cb 0.39 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 2uua n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2uua n GLY 102 N 0.49 1.31 3.66 5.00 0.00 -1.26 -4.90 105.19 109.49 2uua n GLY 102 Ca 0.18 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.73 2uua n GLY 102 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2uua n LEU 103 N 0.00 2.99 -4.71 0.99 4.77 -1.26 -4.91 117.00 114.88 2uua n LEU 103 Ca 0.00 1.07 -0.42 0.00 -0.03 0.00 0.00 56.01 56.64 2uua n LEU 103 Cb 0.00 -1.40 -0.03 0.00 -2.33 0.00 0.00 43.42 39.66 2uua n LEU 103 CO 0.00 -0.33 0.65 -1.58 -1.33 0.00 0.00 177.39 174.79 2uua s GLN 104 N 1.23 4.56 -0.60 3.23 0.74 0.20 -4.67 119.66 124.34 2uua s GLN 104 Ca 0.81 1.37 -0.20 0.00 0.05 0.00 0.00 55.36 57.38 2uua s GLN 104 Cb -0.71 -3.45 0.09 0.00 1.10 0.00 0.00 33.01 30.04 2uua s GLN 104 CO 0.40 -0.01 0.78 0.08 -0.55 0.00 0.00 175.29 175.99 2uua s VAL 105 N 0.87 4.67 0.31 1.34 1.01 -1.26 0.44 120.40 127.78 2uua s VAL 105 Ca 0.50 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.75 2uua s VAL 105 Cb -0.21 -4.53 0.16 0.00 0.00 0.00 0.00 36.38 31.80 2uua s VAL 105 CO 0.27 -1.19 1.85 0.11 0.00 0.00 0.00 175.10 176.14 2uua h LYS 106 N 9.28 0.71 0.00 2.72 1.79 -1.39 -3.47 116.57 126.22 2uua h LYS 106 Ca -0.29 -0.14 0.00 0.00 -2.18 0.00 0.00 60.65 58.04 2uua h LYS 106 Cb 1.08 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.62 2uua h LYS 106 CO 1.11 0.66 0.00 -1.13 -1.08 0.00 0.00 179.45 179.01 2uua n SER 107 N -4.29 0.00 -4.94 0.86 3.41 -1.26 -5.03 113.62 102.38 2uua n SER 107 Ca 0.03 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.37 2uua n SER 107 Cb 0.22 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.14 2uua n SER 107 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2uua s ILE 108 N -1.68 5.33 -0.27 -1.33 1.09 -1.26 0.49 121.20 123.58 2uua s ILE 108 Ca 0.00 -0.63 -0.10 0.00 -1.10 0.00 0.00 60.65 58.82 2uua s ILE 108 Cb 0.00 -3.72 0.11 0.00 -1.06 0.00 0.00 42.46 37.79 2uua s ILE 108 CO 0.00 -0.05 0.59 -0.69 -0.10 0.00 0.00 174.94 174.69 2uua s VAL 109 N -1.70 -0.79 -0.06 2.92 1.01 -0.78 -4.91 120.40 116.10 2uua s VAL 109 Ca 0.35 0.05 -0.24 0.00 0.00 0.00 0.00 61.98 62.13 2uua s VAL 109 Cb -0.11 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 2uua s VAL 109 CO 0.28 0.02 0.73 -0.62 0.00 0.00 0.00 175.10 175.52 2uua s ASP 110 N 2.66 7.04 -0.27 3.32 2.15 -1.26 -0.60 116.67 129.71 2uua s ASP 110 Ca -0.05 1.25 0.21 0.00 0.43 0.00 0.00 52.55 54.38 2uua s ASP 110 Cb -0.11 -2.43 0.50 0.00 -0.30 0.00 0.00 42.92 40.58 2uua s ASP 110 CO -0.17 -0.13 1.11 -0.67 -0.17 0.00 0.00 175.17 175.14 2uua n ASP 111 N 3.76 1.95 -4.70 -0.34 2.03 0.04 -4.89 116.55 114.39 2uua n ASP 111 Ca -0.00 -2.26 -0.42 0.00 0.52 0.00 0.00 54.79 52.63 2uua n ASP 111 Cb 0.51 -0.47 -0.03 0.00 -0.72 0.00 0.00 41.12 40.42 2uua n ASP 111 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2uua s THR 112 N -3.87 3.08 0.39 5.18 2.01 -1.22 -4.81 115.64 116.39 2uua s THR 112 Ca 0.30 0.67 -0.26 0.00 0.31 0.00 0.00 61.69 62.70 2uua s THR 112 Cb 0.34 -3.43 -0.09 0.00 0.01 0.00 0.00 72.50 69.33 2uua s THR 112 CO -0.03 0.03 1.23 -2.16 -0.69 0.00 0.00 174.62 173.00 2uua s PRO 113 N 1.81 4.08 -0.10 4.92 0.04 -1.26 -4.98 135.00 139.52 2uua s PRO 113 Ca 0.69 2.01 -0.04 0.00 0.04 0.00 0.00 61.00 63.69 2uua s PRO 113 Cb -0.39 -2.78 0.05 0.00 0.04 0.00 0.00 34.50 31.42 2uua s PRO 113 CO 0.31 -0.35 0.22 0.54 0.04 0.00 0.00 177.00 177.76 2uua s VAL 114 N -1.31 -0.15 0.66 -0.36 0.11 -1.26 -5.02 120.40 113.07 2uua s VAL 114 Ca 0.55 0.21 -0.11 0.00 -2.93 0.00 0.00 61.98 59.70 2uua s VAL 114 Cb -0.35 -0.36 -0.01 0.00 -1.53 0.00 0.00 36.38 34.13 2uua s VAL 114 CO 0.44 0.09 1.05 -2.16 -3.33 0.00 0.00 175.10 171.19 2uua s PRO 115 N 1.63 3.20 -0.63 1.54 0.04 -1.26 -4.90 135.00 134.63 2uua s PRO 115 Ca -0.05 0.91 -0.02 0.00 0.04 0.00 0.00 61.00 61.88 2uua s PRO 115 Cb -0.11 -2.03 0.38 0.00 0.04 0.00 0.00 34.50 32.79 2uua s PRO 115 CO -0.08 -0.89 2.06 0.72 0.04 0.00 0.00 177.00 178.86 2uua n HIS 116 N -2.88 2.86 -2.14 0.56 8.25 -1.26 -4.81 115.22 115.81 2uua n HIS 116 Ca 0.07 -2.72 -0.02 0.00 -0.26 0.00 0.00 57.72 54.79 2uua n HIS 116 Cb 0.54 -1.34 0.00 0.00 1.12 0.00 0.00 29.99 30.31 2uua n HIS 116 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2uua n ASN 117 N -0.59 -5.02 0.00 0.41 3.02 -1.26 -5.08 115.26 106.74 2uua n ASN 117 Ca 0.56 0.53 0.00 0.00 -0.03 0.00 0.00 54.58 55.64 2uua n ASN 117 Cb 0.58 -3.20 0.00 0.00 -0.61 0.00 0.00 39.78 36.56 2uua n ASN 117 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2uua n GLY 118 N 0.04 -0.08 3.87 7.41 0.00 -1.26 -5.06 105.19 110.10 2uua n GLY 118 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 2uua n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uua s ARG 120 N -1.23 4.16 0.91 0.00 3.52 -1.26 -4.95 118.95 120.09 2uua s ARG 120 Ca 0.21 2.49 -0.11 0.00 -0.13 0.00 0.00 55.73 58.19 2uua s ARG 120 Cb -0.14 -3.83 0.14 0.00 -1.56 0.00 0.00 34.95 29.56 2uua s ARG 120 CO 0.10 -0.86 1.09 -2.14 -0.81 0.00 0.00 175.30 172.68 2uua s PRO 121 N 3.45 1.13 0.80 5.12 0.02 -1.26 -4.98 135.00 139.28 2uua s PRO 121 Ca 0.81 0.92 -0.12 0.00 0.02 0.00 0.00 61.00 62.63 2uua s PRO 121 Cb -0.42 -1.79 0.08 0.00 0.02 0.00 0.00 34.50 32.39 2uua s PRO 121 CO 0.36 -2.36 1.16 0.15 -0.33 0.00 0.00 177.00 175.99 2uua s LYS 122 N -4.86 1.77 0.39 5.54 1.02 -1.26 -4.83 119.74 117.50 2uua s LYS 122 Ca 0.64 1.56 0.15 0.00 0.02 0.00 0.00 55.97 58.34 2uua s LYS 122 Cb -0.19 -1.81 1.01 0.00 -0.52 0.00 0.00 37.83 36.32 2uua s LYS 122 CO 0.58 -2.07 1.83 -0.22 -0.92 0.00 0.00 175.35 174.54 2uua h LYS 123 N -1.02 0.48 0.00 1.68 3.11 -1.99 0.28 116.57 119.11 2uua h LYS 123 Ca -0.45 -0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 57.35 2uua h LYS 123 Cb 1.27 -0.11 -0.00 0.00 -1.00 0.00 0.00 32.23 32.39 2uua h LYS 123 CO 0.47 0.32 -0.05 -0.22 -2.81 0.00 0.00 179.45 177.16 2uua h LYS 124 N 0.49 0.00 -0.87 1.90 3.64 -2.03 -3.05 116.57 116.65 2uua h LYS 124 Ca 0.51 0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 59.30 2uua h LYS 124 Cb 1.16 0.00 -0.38 0.00 -0.41 0.00 0.00 32.23 32.59 2uua h LYS 124 CO -0.24 0.05 -0.24 1.19 -2.27 0.00 0.00 179.45 177.95 2uua n PHE 125 N -3.49 2.93 -5.14 1.91 3.01 0.99 -5.03 117.46 112.64 2uua n PHE 125 Ca -0.02 -2.51 -0.32 0.00 1.01 0.00 0.00 57.45 55.61 2uua n PHE 125 Cb 0.17 -0.71 -0.16 0.00 -0.01 0.00 0.00 39.48 38.77 2uua n PHE 125 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2uua s ARG 126 N -3.68 2.90 0.00 -1.08 0.52 -1.16 -4.76 118.95 111.70 2uua s ARG 126 Ca 0.56 -0.85 0.00 0.00 -0.52 0.00 0.00 55.73 54.92 2uua s ARG 126 Cb 0.44 -2.31 0.00 0.00 0.52 0.00 0.00 34.95 33.60 2uua s ARG 126 CO 0.01 0.28 0.00 1.17 0.02 0.00 0.00 175.30 176.78 2uua n LYS 127 N 3.25 0.00 0.00 3.54 3.00 -1.26 -5.10 118.16 121.59 2uua n LYS 127 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.13 2uua n LYS 127 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.56 2uua n LYS 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2uua n ALA 128 N -1.76 0.00 -0.48 3.14 0.00 -1.26 -5.22 120.51 114.93 2uua n ALA 128 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2uua n ALA 128 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2uua n ALA 128 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95