#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nys n THR 26 N 0.00 1.00 -0.51 3.84 5.66 -1.26 -4.88 114.28 118.13 1nys n THR 26 Ca 0.00 -0.25 0.00 0.00 -3.05 0.00 0.00 64.05 60.75 1nys n THR 26 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1nys n THR 26 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 1nys n ARG 27 N 1.21 0.00 -3.72 1.09 3.00 -1.26 -4.85 116.66 112.13 1nys n ARG 27 Ca 0.18 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.92 1nys n ARG 27 Cb 0.16 -0.17 -0.12 0.00 0.00 0.00 0.00 32.46 32.33 1nys n ARG 27 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1nys s GLU 28 N -0.14 0.30 0.27 -0.14 2.02 -1.26 -2.75 118.70 117.00 1nys s GLU 28 Ca 0.00 0.62 0.04 0.00 0.02 0.00 0.00 54.97 55.65 1nys s GLU 28 Cb 0.00 -0.05 -0.06 0.00 0.10 0.00 0.00 34.13 34.12 1nys s GLU 28 CO 0.00 -0.15 0.02 0.00 0.02 0.00 0.00 175.26 175.15 1nys s ILE 30 N -3.37 4.32 0.12 0.00 -1.09 -1.26 0.46 121.20 120.38 1nys s ILE 30 Ca 0.32 1.75 0.05 0.00 -2.23 0.00 0.00 60.65 60.54 1nys s ILE 30 Cb 0.07 -4.12 -0.04 0.00 -1.58 0.00 0.00 42.46 36.79 1nys s ILE 30 CO 0.12 0.19 0.06 -0.47 -1.23 0.00 0.00 174.94 173.60 1nys s TYR 31 N 0.66 3.06 -0.30 3.97 5.04 -0.31 -2.53 117.35 126.93 1nys s TYR 31 Ca 0.53 -0.02 -0.15 0.00 -2.44 0.00 0.00 57.07 55.00 1nys s TYR 31 Cb -0.26 -1.52 0.16 0.00 0.35 0.00 0.00 41.96 40.69 1nys s TYR 31 CO 0.30 0.51 0.97 -0.47 -1.34 0.00 0.00 175.55 175.52 1nys s TYR 32 N -1.52 -0.68 -0.31 4.97 6.14 -0.52 -3.42 117.35 122.01 1nys s TYR 32 Ca 0.28 1.21 0.03 0.00 0.64 0.00 0.00 57.07 59.23 1nys s TYR 32 Cb -0.11 0.41 0.09 0.00 0.42 0.00 0.00 41.96 42.77 1nys s TYR 32 CO 0.21 -0.34 0.02 1.21 0.64 0.00 0.00 175.55 177.29 1nys s ASN 33 N 2.21 4.54 0.39 4.32 2.47 -0.75 -1.58 114.94 126.54 1nys s ASN 33 Ca -0.04 -1.88 0.10 0.00 0.42 0.00 0.00 52.86 51.46 1nys s ASN 33 Cb -0.06 -1.47 0.88 0.00 -1.45 0.00 0.00 41.25 39.16 1nys s ASN 33 CO -0.17 -0.34 1.92 0.00 -3.72 0.00 0.00 177.10 174.79 1nys h ALA 34 N 7.73 1.90 -0.57 1.71 0.00 -1.68 -0.99 119.26 127.36 1nys h ALA 34 Ca -0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1nys h ALA 34 Cb 1.03 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1nys h ALA 34 CO 0.49 -0.08 0.00 -1.71 0.00 0.00 0.00 179.25 177.96 1nys n ASN 35 N -4.50 3.25 -0.11 0.00 5.15 -1.26 -4.75 115.26 113.04 1nys n ASN 35 Ca 0.14 -2.07 0.05 0.00 -0.60 0.00 0.00 54.58 52.09 1nys n ASN 35 Cb 0.41 -0.41 0.09 0.00 -0.53 0.00 0.00 39.78 39.33 1nys n ASN 35 CO 0.00 0.00 0.00 -2.67 1.40 0.00 0.00 177.26 175.99 1nys n TRP 36 N 1.13 0.19 0.31 1.20 4.27 -0.38 -2.42 117.44 121.75 1nys n TRP 36 Ca 0.20 0.37 -0.17 0.00 -3.89 0.00 0.00 57.50 54.00 1nys n TRP 36 Cb 0.54 -0.73 -0.08 0.00 -1.36 0.00 0.00 31.31 29.67 1nys n TRP 36 CO 0.00 0.00 0.00 0.93 -2.29 0.00 0.00 177.69 176.33 1nys h GLU 37 N 0.00 -0.83 -0.62 -2.67 5.08 -1.85 0.26 114.58 113.95 1nys h GLU 37 Ca 0.18 0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.55 1nys h GLU 37 Cb 0.38 0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 1nys h GLU 37 CO -0.29 -0.55 0.20 -0.07 -1.00 0.00 0.00 179.01 177.31 1nys h LEU 38 N -0.86 0.90 0.00 1.33 3.38 -1.89 -2.22 115.31 115.95 1nys h LEU 38 Ca -0.06 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1nys h LEU 38 Cb 0.71 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1nys h LEU 38 CO 0.05 0.86 0.00 -0.62 0.09 0.00 0.00 178.44 178.82 1nys n GLU 39 N -4.39 0.55 -3.69 1.13 1.02 -1.16 -4.89 120.64 109.21 1nys n GLU 39 Ca 0.04 0.03 -0.29 0.00 -0.02 0.00 0.00 57.16 56.91 1nys n GLU 39 Cb 0.20 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.15 1nys n GLU 39 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1nys n ARG 40 N -1.08 -1.13 -4.50 3.49 -4.01 -0.11 -5.01 116.66 104.32 1nys n ARG 40 Ca 0.14 0.56 -0.26 0.00 -1.04 0.00 0.00 57.85 57.25 1nys n ARG 40 Cb 0.09 -3.76 -0.08 0.00 -3.04 0.00 0.00 32.46 25.68 1nys n ARG 40 CO 0.00 0.00 0.00 -0.08 -3.04 0.00 0.00 177.63 174.51 1nys s THR 41 N -3.35 0.43 0.34 8.89 -1.32 -0.13 -5.05 115.64 115.47 1nys s THR 41 Ca 0.35 -2.00 -0.13 0.00 -1.21 0.00 0.00 61.69 58.71 1nys s THR 41 Cb -0.14 -2.29 -0.08 0.00 -1.51 0.00 0.00 72.50 68.48 1nys s THR 41 CO 0.87 0.00 0.73 0.20 -2.21 0.00 0.00 174.62 174.21 1nys s ASN 42 N -3.61 6.66 0.27 8.08 0.01 -1.26 -4.64 114.94 120.45 1nys s ASN 42 Ca 0.24 1.18 0.14 0.00 -0.71 0.00 0.00 52.86 53.71 1nys s ASN 42 Cb 0.01 -2.34 0.12 0.00 0.41 0.00 0.00 41.25 39.46 1nys s ASN 42 CO 0.17 -0.27 1.47 -0.61 -1.51 0.00 0.00 177.10 176.35 1nys h GLN 43 N 1.90 0.00 0.00 -0.60 4.15 -1.92 -3.38 115.11 115.26 1nys h GLN 43 Ca -0.47 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.95 1nys h GLN 43 Cb 1.18 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.87 1nys h GLN 43 CO 0.65 0.56 0.00 0.45 -1.93 0.00 0.00 178.83 178.57 1nys n SER 44 N -3.30 0.00 0.00 -0.69 2.88 -1.26 -1.80 113.62 109.45 1nys n SER 44 Ca 0.01 -1.00 0.00 0.00 -1.33 0.00 0.00 58.87 56.55 1nys n SER 44 Cb 0.73 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.19 1nys n SER 44 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1nys n GLY 45 N 0.00 0.32 3.06 0.46 0.00 -1.22 -4.91 105.19 102.90 1nys n GLY 45 Ca 0.00 -2.00 -0.23 0.00 0.00 0.00 0.00 46.02 43.80 1nys n GLY 45 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1nys s LEU 46 N 0.00 1.87 -0.13 0.99 0.05 -1.26 -1.16 118.68 119.03 1nys s LEU 46 Ca 0.00 -0.25 -0.06 0.00 0.05 0.00 0.00 54.13 53.86 1nys s LEU 46 Cb 0.00 -0.72 -0.04 0.00 -2.05 0.00 0.00 46.19 43.38 1nys s LEU 46 CO 0.00 0.11 0.10 -0.70 -0.55 0.00 0.00 176.35 175.31 1nys s GLU 47 N 0.05 3.51 -0.27 1.48 2.12 0.17 -4.82 118.70 120.94 1nys s GLU 47 Ca -0.02 -0.23 -0.08 0.00 0.36 0.00 0.00 54.97 55.00 1nys s GLU 47 Cb -0.09 -3.14 -0.02 0.00 0.26 0.00 0.00 34.13 31.14 1nys s GLU 47 CO 0.01 0.64 0.10 0.50 -0.54 0.00 0.00 175.26 175.97 1nys s ARG 48 N -0.64 3.53 0.40 4.30 3.52 -1.26 0.95 118.95 129.75 1nys s ARG 48 Ca 0.12 -0.57 -0.18 0.00 -0.13 0.00 0.00 55.73 54.97 1nys s ARG 48 Cb -0.12 -3.42 -0.10 0.00 -1.56 0.00 0.00 34.95 29.75 1nys s ARG 48 CO 0.02 -0.28 0.87 0.00 -0.81 0.00 0.00 175.30 175.11 1nys s GLU 50 N -3.23 1.68 0.00 0.00 2.02 -1.26 -4.82 118.70 113.09 1nys s GLU 50 Ca 0.59 -1.89 0.00 0.00 0.02 0.00 0.00 54.97 53.69 1nys s GLU 50 Cb -0.10 -1.26 0.00 0.00 0.10 0.00 0.00 34.13 32.88 1nys s GLU 50 CO 0.17 -0.01 0.00 0.41 0.02 0.00 0.00 175.26 175.85 1nys n GLY 51 N -0.70 -0.45 3.63 -1.39 0.00 -1.26 -5.04 105.19 99.98 1nys n GLY 51 Ca -0.05 0.32 -0.37 0.00 0.00 0.00 0.00 46.02 45.92 1nys n GLY 51 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1nys s ASP 54 N -4.00 6.12 0.08 1.61 1.47 -1.26 -5.12 116.67 115.58 1nys s ASP 54 Ca 0.00 0.12 -0.01 0.00 1.18 0.00 0.00 52.55 53.85 1nys s ASP 54 Cb 0.00 -2.13 -0.04 0.00 -0.34 0.00 0.00 42.92 40.41 1nys s ASP 54 CO 0.00 -0.02 -0.00 -0.54 0.68 0.00 0.00 175.17 175.29 1nys s LYS 55 N 1.44 0.75 0.84 2.11 1.02 -1.26 -5.15 119.74 119.48 1nys s LYS 55 Ca 0.09 -1.31 -0.11 0.00 0.02 0.00 0.00 55.97 54.66 1nys s LYS 55 Cb -0.15 0.17 0.10 0.00 -0.52 0.00 0.00 37.83 37.43 1nys s LYS 55 CO 0.08 -0.15 1.15 1.03 -0.92 0.00 0.00 175.35 176.53 1nys s ARG 56 N -3.96 1.57 -0.08 1.68 0.52 -1.26 -4.97 118.95 112.46 1nys s ARG 56 Ca 0.14 1.52 -0.01 0.00 -0.52 0.00 0.00 55.73 56.85 1nys s ARG 56 Cb 0.08 -1.79 0.03 0.00 0.52 0.00 0.00 34.95 33.78 1nys s ARG 56 CO -0.05 -2.21 -0.01 -0.51 0.02 0.00 0.00 175.30 172.53 1nys s LEU 57 N -6.09 0.74 0.00 2.53 1.43 -1.26 -3.01 118.68 113.02 1nys s LEU 57 Ca 0.67 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.62 1nys s LEU 57 Cb -0.23 -0.53 0.00 0.00 0.03 0.00 0.00 46.19 45.46 1nys s LEU 57 CO 0.54 -0.18 0.00 1.41 0.23 0.00 0.00 176.35 178.35 1nys n HIS 58 N 5.10 -0.96 -3.78 0.29 8.25 0.98 -4.49 115.22 120.61 1nys n HIS 58 Ca -0.08 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.26 1nys n HIS 58 Cb 0.50 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.53 1nys n HIS 58 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1nys n TYR 60 N 0.86 0.03 -3.63 0.00 0.18 -0.61 -1.17 117.16 112.82 1nys n TYR 60 Ca -0.20 -2.74 -0.03 0.00 1.88 0.00 0.00 57.90 56.81 1nys n TYR 60 Cb 0.58 0.03 -0.05 0.00 -0.38 0.00 0.00 39.34 39.52 1nys n TYR 60 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1nys s ALA 61 N -3.18 -2.05 -0.10 -3.48 0.00 -1.04 -3.45 121.76 108.46 1nys s ALA 61 Ca 0.24 2.35 0.03 0.00 0.00 0.00 0.00 51.96 54.58 1nys s ALA 61 Cb 0.01 -1.66 0.01 0.00 0.00 0.00 0.00 23.12 21.48 1nys s ALA 61 CO 0.17 -0.68 -0.21 -1.54 0.00 0.00 0.00 175.76 173.50 1nys s SER 62 N 2.26 2.83 0.34 0.00 1.04 0.92 -1.94 113.70 119.15 1nys s SER 62 Ca -0.08 -0.52 0.01 0.00 0.48 0.00 0.00 55.95 55.85 1nys s SER 62 Cb -0.08 -1.30 -0.01 0.00 0.10 0.00 0.00 66.02 64.73 1nys s SER 62 CO -0.19 0.11 0.41 -1.66 0.98 0.00 0.00 173.24 172.89 1nys s TRP 63 N 0.56 1.34 -0.04 5.02 -2.14 -1.07 0.19 118.94 122.80 1nys s TRP 63 Ca -0.14 -1.45 0.05 0.00 2.66 0.00 0.00 56.10 57.22 1nys s TRP 63 Cb -0.17 -0.31 -0.01 0.00 -3.10 0.00 0.00 33.47 29.88 1nys s TRP 63 CO 0.05 -1.05 -0.19 1.03 -2.66 0.00 0.00 176.95 174.12 1nys s ARG 64 N -3.15 1.89 -0.64 3.25 0.52 -0.21 0.93 118.95 121.54 1nys s ARG 64 Ca 0.34 -0.70 0.05 0.00 -0.52 0.00 0.00 55.73 54.90 1nys s ARG 64 Cb 0.01 -1.68 0.17 0.00 0.52 0.00 0.00 34.95 33.97 1nys s ARG 64 CO 0.23 0.32 0.46 1.21 0.02 0.00 0.00 175.30 177.54 1nys s ASN 65 N -0.14 4.10 -0.14 0.23 2.47 -1.26 -1.48 114.94 118.72 1nys s ASN 65 Ca -0.01 -3.67 0.01 0.00 0.42 0.00 0.00 52.86 49.61 1nys s ASN 65 Cb -0.11 -1.38 0.02 0.00 -1.45 0.00 0.00 41.25 38.33 1nys s ASN 65 CO 0.02 -0.11 -0.15 -0.55 -3.72 0.00 0.00 177.10 172.59 1nys s SER 66 N -1.11 2.67 -0.80 -4.21 0.15 -1.08 -4.86 113.70 104.46 1nys s SER 66 Ca 0.26 -0.49 -0.01 0.00 0.70 0.00 0.00 55.95 56.41 1nys s SER 66 Cb -0.03 -1.19 -0.00 0.00 -1.71 0.00 0.00 66.02 63.08 1nys s SER 66 CO -0.17 -0.02 0.66 -1.20 1.20 0.00 0.00 173.24 173.71 1nys n SER 67 N 4.54 -6.27 -4.11 5.45 7.64 -1.26 -3.28 113.62 116.33 1nys n SER 67 Ca -0.18 -0.55 -0.32 0.00 1.01 0.00 0.00 58.87 58.83 1nys n SER 67 Cb 0.50 -3.49 -0.02 0.00 -1.01 0.00 0.00 64.21 60.20 1nys n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nys n GLY 68 N -1.71 -0.39 3.26 0.23 0.00 -1.26 -4.97 105.19 100.36 1nys n GLY 68 Ca -0.16 0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 1nys n GLY 68 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nys s THR 69 N -3.49 -0.03 -0.46 2.61 -4.23 -1.20 -5.12 115.64 103.73 1nys s THR 69 Ca 0.52 0.10 -0.10 0.00 -1.18 0.00 0.00 61.69 61.02 1nys s THR 69 Cb -0.28 -0.60 0.10 0.00 1.34 0.00 0.00 72.50 73.06 1nys s THR 69 CO 0.91 0.04 0.33 -0.63 -0.54 0.00 0.00 174.62 174.72 1nys s ILE 70 N 1.40 4.40 -0.36 2.99 1.09 -1.25 -2.64 121.20 126.82 1nys s ILE 70 Ca -0.10 -1.54 -0.14 0.00 -1.10 0.00 0.00 60.65 57.77 1nys s ILE 70 Cb -0.08 -3.79 -0.01 0.00 -1.06 0.00 0.00 42.46 37.52 1nys s ILE 70 CO -0.13 -0.66 0.29 -0.70 -0.10 0.00 0.00 174.94 173.65 1nys s GLU 71 N 1.43 3.37 0.37 2.79 2.12 -0.55 -4.89 118.70 123.34 1nys s GLU 71 Ca 0.04 -0.68 -0.28 0.00 0.36 0.00 0.00 54.97 54.41 1nys s GLU 71 Cb -0.25 -3.86 -0.11 0.00 0.26 0.00 0.00 34.13 30.17 1nys s GLU 71 CO 0.01 -0.56 1.46 1.28 -0.54 0.00 0.00 175.26 176.92 1nys n LEU 72 N 5.21 4.64 -0.03 2.70 4.77 -1.26 -1.05 117.00 131.98 1nys n LEU 72 Ca -0.11 1.23 -0.05 0.00 -0.03 0.00 0.00 56.01 57.04 1nys n LEU 72 Cb 0.49 -1.61 -0.02 0.00 -2.33 0.00 0.00 43.42 39.96 1nys n LEU 72 CO 0.39 0.08 -0.40 0.52 -1.33 0.00 0.00 177.39 176.65 1nys n VAL 73 N 0.42 1.36 -3.67 4.08 0.31 0.51 -4.65 118.33 116.68 1nys n VAL 73 Ca 0.02 0.24 -0.10 0.00 -0.01 0.00 0.00 64.34 64.49 1nys n VAL 73 Cb 0.38 -1.99 -0.05 0.00 -0.91 0.00 0.00 33.84 31.27 1nys n VAL 73 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1nys s LYS 74 N -2.49 1.02 -0.16 5.55 1.02 -0.64 -2.04 119.74 122.00 1nys s LYS 74 Ca -0.16 -0.73 -0.17 0.00 0.02 0.00 0.00 55.97 54.93 1nys s LYS 74 Cb 0.02 0.44 0.05 0.00 -0.52 0.00 0.00 37.83 37.82 1nys s LYS 74 CO 0.24 -0.38 0.48 0.15 -0.92 0.00 0.00 175.35 174.91 1nys s LYS 75 N -3.72 0.60 0.00 1.68 1.02 -0.61 -0.06 119.74 118.64 1nys s LYS 75 Ca 0.03 0.59 0.00 0.00 0.02 0.00 0.00 55.97 56.61 1nys s LYS 75 Cb 0.02 0.29 0.00 0.00 -0.52 0.00 0.00 37.83 37.62 1nys s LYS 75 CO -0.11 -0.09 0.00 0.41 -0.92 0.00 0.00 175.35 174.64 1nys n GLY 76 N 2.61 -1.00 3.75 -3.33 0.00 -1.05 -1.44 105.19 104.72 1nys n GLY 76 Ca -0.14 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 44.53 1nys n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nys s TRP 78 N -0.69 2.12 0.10 0.00 -0.11 0.09 -4.80 118.94 115.64 1nys s TRP 78 Ca 0.46 -0.94 -0.30 0.00 1.22 0.00 0.00 56.10 56.55 1nys s TRP 78 Cb -0.30 -1.48 -0.06 0.00 -1.50 0.00 0.00 33.47 30.14 1nys s TRP 78 CO 0.37 -0.44 0.97 -0.51 -4.62 0.00 0.00 176.95 172.72 1nys s LEU 79 N 0.73 4.48 0.00 5.86 1.43 -1.26 -0.01 118.68 129.90 1nys s LEU 79 Ca -0.12 1.80 0.00 0.00 -1.03 0.00 0.00 54.13 54.78 1nys s LEU 79 Cb -0.16 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.47 1nys s LEU 79 CO 0.02 -0.10 0.00 -0.67 0.23 0.00 0.00 176.35 175.83 1nys n ASP 80 N 2.89 0.00 -4.54 2.29 -0.08 -1.17 -4.89 116.55 111.06 1nys n ASP 80 Ca 0.03 0.00 -0.34 0.00 -1.51 0.00 0.00 54.79 52.96 1nys n ASP 80 Cb 0.49 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.84 1nys n ASP 80 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1nys s ASP 81 N -0.16 5.16 0.43 1.67 -1.08 -1.26 -4.98 116.67 116.44 1nys s ASP 81 Ca 0.00 -0.06 0.10 0.00 -0.52 0.00 0.00 52.55 52.07 1nys s ASP 81 Cb 0.00 -1.87 0.93 0.00 -1.46 0.00 0.00 42.92 40.51 1nys s ASP 81 CO 0.00 0.14 2.02 2.19 0.52 0.00 0.00 175.17 180.05 1nys h PHE 82 N 6.93 0.30 0.00 -5.34 -5.15 -2.00 -0.45 116.94 111.23 1nys h PHE 82 Ca -0.34 -0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.42 1nys h PHE 82 Cb 1.18 -0.09 0.00 0.00 0.22 0.00 0.00 35.95 37.25 1nys h PHE 82 CO 0.56 0.27 0.00 0.09 -2.00 0.00 0.00 178.31 177.23 1nys n ASN 83 N -4.41 0.00 -0.51 -0.68 3.02 -1.26 -1.21 115.26 110.21 1nys n ASN 83 Ca 0.00 0.13 0.05 0.00 -0.03 0.00 0.00 54.58 54.73 1nys n ASN 83 Cb 0.15 -0.22 0.10 0.00 -0.61 0.00 0.00 39.78 39.20 1nys n ASN 83 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nys s TYR 85 N -0.93 3.20 -0.01 0.00 4.12 -0.35 -3.58 117.35 119.80 1nys s TYR 85 Ca 0.17 1.55 0.00 0.00 0.02 0.00 0.00 57.07 58.81 1nys s TYR 85 Cb 0.10 -2.92 0.00 0.00 -1.52 0.00 0.00 41.96 37.61 1nys s TYR 85 CO 0.14 -0.54 0.00 -0.25 0.02 0.00 0.00 175.55 174.91 1nys n ASP 86 N -1.19 -1.01 -4.28 2.29 8.00 -1.26 -4.86 116.55 114.24 1nys n ASP 86 Ca 0.08 0.49 -0.42 0.00 0.71 0.00 0.00 54.79 55.65 1nys n ASP 86 Cb 0.53 -1.01 -0.09 0.00 -0.02 0.00 0.00 41.12 40.54 1nys n ASP 86 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1nys s ARG 87 N -4.96 2.70 0.28 -1.24 1.81 -1.25 -4.92 118.95 111.36 1nys s ARG 87 Ca 0.00 -1.54 0.19 0.00 -1.72 0.00 0.00 55.73 52.66 1nys s ARG 87 Cb 0.00 -3.95 0.11 0.00 -0.45 0.00 0.00 34.95 30.66 1nys s ARG 87 CO 0.00 -1.07 1.32 -0.56 -0.68 0.00 0.00 175.30 174.31 1nys h GLN 88 N 8.55 0.00 -6.05 3.54 -0.00 -1.89 0.17 115.11 119.42 1nys h GLN 88 Ca -0.24 0.00 -0.68 0.00 -0.00 0.00 0.00 58.65 57.72 1nys h GLN 88 Cb 1.09 0.00 -0.24 0.00 -0.00 0.00 0.00 27.48 28.32 1nys h GLN 88 CO 0.84 0.20 -0.77 -1.21 -0.00 0.00 0.00 178.83 177.90 1nys s GLU 89 N -3.12 2.74 -0.50 0.06 2.02 -1.26 -4.80 118.70 113.84 1nys s GLU 89 Ca 0.03 -0.70 -0.29 0.00 0.02 0.00 0.00 54.97 54.04 1nys s GLU 89 Cb 0.07 -2.44 0.03 0.00 0.10 0.00 0.00 34.13 31.89 1nys s GLU 89 CO 0.74 0.51 1.19 0.00 0.02 0.00 0.00 175.26 177.73 1nys s VAL 91 N 4.77 0.88 -0.20 0.00 1.01 -1.26 -2.63 120.40 122.96 1nys s VAL 91 Ca 0.48 -0.44 -0.19 0.00 0.00 0.00 0.00 61.98 61.83 1nys s VAL 91 Cb -0.08 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.51 1nys s VAL 91 CO 0.30 0.26 0.55 0.00 0.00 0.00 0.00 175.10 176.21 1nys s ALA 92 N 0.01 3.55 -0.17 5.51 0.00 -0.86 -4.29 121.76 125.51 1nys s ALA 92 Ca -0.00 -0.38 0.18 0.00 0.00 0.00 0.00 51.96 51.75 1nys s ALA 92 Cb -0.07 -2.86 -0.26 0.00 0.00 0.00 0.00 23.12 19.93 1nys s ALA 92 CO 0.00 -0.49 0.16 0.25 0.00 0.00 0.00 175.76 175.68 1nys n THR 93 N 4.63 1.27 -1.75 0.00 -2.24 -1.26 -0.89 114.28 114.04 1nys n THR 93 Ca -0.04 -0.82 -0.38 0.00 -2.27 0.00 0.00 64.05 60.54 1nys n THR 93 Cb 0.50 -0.46 0.05 0.00 -2.10 0.00 0.00 70.33 68.32 1nys n THR 93 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1nys s GLU 94 N -2.60 3.00 -0.10 -0.78 0.41 -1.26 -3.62 118.70 113.74 1nys s GLU 94 Ca -0.09 2.23 -0.00 0.00 -0.41 0.00 0.00 54.97 56.69 1nys s GLU 94 Cb 0.07 -2.17 -0.00 0.00 -1.78 0.00 0.00 34.13 30.25 1nys s GLU 94 CO 0.84 -1.30 -0.00 0.93 -0.49 0.00 0.00 175.26 175.23 1nys h GLU 95 N 1.26 0.00 -0.89 1.61 5.08 -1.94 -3.44 114.58 116.25 1nys h GLU 95 Ca -0.51 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.27 1nys h GLU 95 Cb 1.31 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 30.15 1nys h GLU 95 CO 0.56 0.00 -0.54 -1.71 -1.00 0.00 0.00 179.01 176.32 1nys n ASN 96 N -4.71 5.34 -4.81 1.42 5.15 -1.26 -5.06 115.26 111.32 1nys n ASN 96 Ca -0.00 -3.75 -0.33 0.00 -0.60 0.00 0.00 54.58 49.90 1nys n ASN 96 Cb 0.00 -0.45 -0.01 0.00 -0.53 0.00 0.00 39.78 38.79 1nys n ASN 96 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1nys s PRO 97 N -3.63 3.57 0.01 1.20 0.04 -1.26 -5.01 135.00 129.92 1nys s PRO 97 Ca 0.53 1.19 -0.02 0.00 0.04 0.00 0.00 61.00 62.73 1nys s PRO 97 Cb 0.42 -2.07 -0.27 0.00 0.04 0.00 0.00 34.50 32.62 1nys s PRO 97 CO -0.00 -0.60 0.88 -0.56 0.04 0.00 0.00 177.00 176.75 1nys h GLN 98 N 0.81 0.23 -4.94 4.56 -0.00 -1.97 -3.44 115.11 110.37 1nys h GLN 98 Ca -0.47 -0.40 -0.64 0.00 -0.00 0.00 0.00 58.65 57.14 1nys h GLN 98 Cb 1.21 0.15 -0.35 0.00 -0.00 0.00 0.00 27.48 28.49 1nys h GLN 98 CO 0.59 1.09 -0.85 0.08 -0.00 0.00 0.00 178.83 179.74 1nys s VAL 99 N -2.62 1.83 0.46 1.86 1.01 -1.26 -4.56 120.40 117.12 1nys s VAL 99 Ca -0.08 -0.82 -0.02 0.00 0.00 0.00 0.00 61.98 61.06 1nys s VAL 99 Cb 0.07 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 1nys s VAL 99 CO 0.85 0.50 0.71 -0.31 0.00 0.00 0.00 175.10 176.86 1nys s TYR 100 N 1.15 3.36 -0.20 5.22 1.51 0.26 -4.91 117.35 123.75 1nys s TYR 100 Ca -0.01 0.46 -0.22 0.00 -1.01 0.00 0.00 57.07 56.30 1nys s TYR 100 Cb -0.14 -2.29 0.06 0.00 -0.11 0.00 0.00 41.96 39.47 1nys s TYR 100 CO -0.07 -0.32 0.60 0.12 -1.11 0.00 0.00 175.55 174.77 1nys s PHE 101 N -2.62 -0.64 0.01 2.71 5.36 -1.26 -2.59 117.98 118.95 1nys s PHE 101 Ca 0.47 1.51 -0.04 0.00 -0.96 0.00 0.00 56.93 57.91 1nys s PHE 101 Cb -0.10 0.24 -0.01 0.00 -0.34 0.00 0.00 43.02 42.81 1nys s PHE 101 CO 0.40 -0.35 0.07 0.00 -1.46 0.00 0.00 175.22 173.89 1nys s GLU 105 N -2.31 3.17 0.00 0.00 2.12 0.60 -0.25 118.70 122.03 1nys s GLU 105 Ca -0.01 -0.74 0.00 0.00 0.36 0.00 0.00 54.97 54.58 1nys s GLU 105 Cb -0.01 -2.76 0.00 0.00 0.26 0.00 0.00 34.13 31.62 1nys s GLU 105 CO -0.03 -0.19 0.00 0.41 -0.54 0.00 0.00 175.26 174.91 1nys n GLY 106 N 4.66 3.47 1.70 -1.50 0.00 -1.26 -4.33 105.19 107.92 1nys n GLY 106 Ca -0.20 -0.78 -0.27 0.00 0.00 0.00 0.00 46.02 44.77 1nys n GLY 106 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nys n ASN 107 N 0.00 -0.20 -0.10 1.61 4.13 -1.26 -0.90 115.26 118.54 1nys n ASN 107 Ca 0.00 0.56 -0.01 0.00 1.68 0.00 0.00 54.58 56.81 1nys n ASN 107 Cb 0.00 -0.45 -0.00 0.00 -1.54 0.00 0.00 39.78 37.78 1nys n ASN 107 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 1nys n PHE 108 N 0.50 -0.03 0.26 3.10 3.01 0.29 -4.77 117.46 119.82 1nys n PHE 108 Ca 0.09 0.00 0.18 0.00 1.01 0.00 0.00 57.45 58.73 1nys n PHE 108 Cb 0.07 -1.49 0.89 0.00 -0.01 0.00 0.00 39.48 38.94 1nys n PHE 108 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1nys n ASN 110 N -3.32 0.84 0.02 0.00 0.23 -1.26 -3.88 115.26 107.89 1nys n ASN 110 Ca 0.00 -1.86 -0.03 0.00 -0.53 0.00 0.00 54.58 52.16 1nys n ASN 110 Cb 0.33 -0.09 0.20 0.00 -2.08 0.00 0.00 39.78 38.15 1nys n ASN 110 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1nys h GLU 111 N 0.98 0.48 -6.28 -3.83 4.22 -1.72 -3.42 114.58 105.01 1nys h GLU 111 Ca 0.00 -0.18 -0.69 0.00 0.08 0.00 0.00 59.36 58.57 1nys h GLU 111 Cb 0.22 -0.03 -0.25 0.00 0.50 0.00 0.00 28.75 29.19 1nys h GLU 111 CO 0.00 0.70 -0.79 1.03 -2.18 0.00 0.00 179.01 177.77 1nys s ARG 112 N -4.50 2.51 -0.03 1.92 1.81 -1.25 -5.12 118.95 114.29 1nys s ARG 112 Ca -0.07 -0.73 -0.02 0.00 -1.72 0.00 0.00 55.73 53.18 1nys s ARG 112 Cb 0.14 -2.34 0.01 0.00 -0.45 0.00 0.00 34.95 32.31 1nys s ARG 112 CO 0.79 0.58 0.08 -0.59 -0.68 0.00 0.00 175.30 175.47 1nys s PHE 113 N -0.62 -0.08 0.28 -0.53 -0.12 -1.26 -4.36 117.98 111.29 1nys s PHE 113 Ca 0.09 0.21 0.01 0.00 -0.05 0.00 0.00 56.93 57.20 1nys s PHE 113 Cb -0.11 -0.00 -0.00 0.00 -0.63 0.00 0.00 43.02 42.27 1nys s PHE 113 CO 0.01 -0.05 0.05 2.41 -0.05 0.00 0.00 175.22 177.58 1nys n THR 114 N 3.22 0.00 -3.72 -4.49 -1.04 -1.08 -5.06 114.28 102.11 1nys n THR 114 Ca -0.14 -1.48 -0.12 0.00 -2.04 0.00 0.00 64.05 60.27 1nys n THR 114 Cb 0.58 0.42 -0.10 0.00 -1.82 0.00 0.00 70.33 69.41 1nys n THR 114 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 1nys s HIS 115 N -2.32 -0.50 0.00 -1.42 5.04 -1.26 -2.02 115.29 112.81 1nys s HIS 115 Ca 0.07 1.16 0.00 0.00 -1.54 0.00 0.00 55.06 54.75 1nys s HIS 115 Cb 0.00 0.19 0.00 0.00 0.04 0.00 0.00 32.58 32.82 1nys s HIS 115 CO 0.05 -0.26 0.00 1.28 -2.34 0.00 0.00 174.74 173.47 1nys n LEU 116 N 3.37 0.00 0.00 8.88 4.77 -0.07 -4.95 117.00 129.01 1nys n LEU 116 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1nys n LEU 116 Cb 0.56 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1nys n LEU 116 CO 0.11 0.00 0.00 -0.81 -1.33 0.00 0.00 177.39 175.36