#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nys s THR 26 N 0.00 4.82 -0.04 2.62 -4.23 -1.26 -5.07 115.64 112.48 1nys s THR 26 Ca 0.00 0.58 -0.02 0.00 -1.18 0.00 0.00 61.69 61.08 1nys s THR 26 Cb 0.00 -3.68 0.03 0.00 1.34 0.00 0.00 72.50 70.19 1nys s THR 26 CO 0.00 -0.32 0.09 -0.60 -0.54 0.00 0.00 174.62 173.25 1nys s ARG 27 N -3.39 0.03 0.23 3.99 6.06 -1.26 -4.94 118.95 119.68 1nys s ARG 27 Ca 0.50 0.27 0.10 0.00 -2.50 0.00 0.00 55.73 54.10 1nys s ARG 27 Cb -0.10 -0.19 -0.05 0.00 0.06 0.00 0.00 34.95 34.66 1nys s ARG 27 CO 0.26 -0.15 -0.18 -1.21 -2.50 0.00 0.00 175.30 171.51 1nys s GLU 28 N 1.04 1.47 0.02 5.12 2.02 -1.26 -0.45 118.70 126.65 1nys s GLU 28 Ca -0.08 -1.63 -0.24 0.00 0.02 0.00 0.00 54.97 53.04 1nys s GLU 28 Cb -0.11 -1.46 0.05 0.00 0.10 0.00 0.00 34.13 32.71 1nys s GLU 28 CO -0.04 0.27 0.54 0.00 0.02 0.00 0.00 175.26 176.05 1nys s ILE 30 N -2.03 2.66 0.10 0.00 1.09 -1.26 -0.08 121.20 121.66 1nys s ILE 30 Ca -0.08 0.54 0.04 0.00 -1.10 0.00 0.00 60.65 60.06 1nys s ILE 30 Cb -0.01 -3.34 -0.04 0.00 -1.06 0.00 0.00 42.46 38.01 1nys s ILE 30 CO 0.02 0.08 0.03 -0.47 -0.10 0.00 0.00 174.94 174.49 1nys s TYR 31 N 0.17 3.04 -0.21 3.97 5.04 0.33 -3.41 117.35 126.28 1nys s TYR 31 Ca 0.61 -0.00 -0.28 0.00 -2.44 0.00 0.00 57.07 54.96 1nys s TYR 31 Cb -0.42 -1.55 0.12 0.00 0.35 0.00 0.00 41.96 40.46 1nys s TYR 31 CO 0.42 0.50 0.99 -0.47 -1.34 0.00 0.00 175.55 175.64 1nys s TYR 32 N -1.38 -0.45 -0.25 4.97 6.14 0.01 -3.10 117.35 123.29 1nys s TYR 32 Ca 0.27 0.93 -0.02 0.00 0.64 0.00 0.00 57.07 58.90 1nys s TYR 32 Cb -0.12 0.40 0.13 0.00 0.42 0.00 0.00 41.96 42.80 1nys s TYR 32 CO 0.20 -0.31 0.34 1.21 0.64 0.00 0.00 175.55 177.63 1nys s ASN 33 N -0.46 0.78 0.55 4.32 3.04 -1.03 -1.68 114.94 120.45 1nys s ASN 33 Ca -0.00 -0.17 0.29 0.00 0.04 0.00 0.00 52.86 53.02 1nys s ASN 33 Cb -0.03 0.85 1.59 0.00 -1.54 0.00 0.00 41.25 42.12 1nys s ASN 33 CO -0.01 -0.33 2.13 0.00 -3.04 0.00 0.00 177.10 175.84 1nys h ALA 34 N 8.22 1.33 -0.80 1.71 0.00 -1.43 -2.18 119.26 126.12 1nys h ALA 34 Ca -0.16 -0.07 -0.51 0.00 0.00 0.00 0.00 54.91 54.17 1nys h ALA 34 Cb 1.13 -0.01 -0.29 0.00 0.00 0.00 0.00 17.79 18.62 1nys h ALA 34 CO 0.29 0.10 0.22 -1.71 0.00 0.00 0.00 179.25 178.15 1nys n ASN 35 N -3.66 5.27 -0.10 0.00 5.15 -1.26 -4.73 115.26 115.92 1nys n ASN 35 Ca -0.02 -3.76 0.10 0.00 -0.60 0.00 0.00 54.58 50.30 1nys n ASN 35 Cb 0.19 -0.73 0.46 0.00 -0.53 0.00 0.00 39.78 39.17 1nys n ASN 35 CO 0.00 0.00 0.00 4.11 1.40 0.00 0.00 177.26 182.77 1nys h TRP 36 N 1.67 0.52 0.31 1.20 5.08 -1.67 -2.93 115.95 120.13 1nys h TRP 36 Ca 0.47 0.01 -0.02 0.00 1.08 0.00 0.00 58.89 60.44 1nys h TRP 36 Cb 1.49 -0.17 0.00 0.00 -3.00 0.00 0.00 29.16 27.48 1nys h TRP 36 CO 1.24 0.26 -0.15 0.93 -1.28 0.00 0.00 178.44 179.44 1nys h GLU 37 N 0.50 -0.40 -0.95 0.12 5.08 -1.85 0.55 114.58 117.63 1nys h GLU 37 Ca 0.28 0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.78 1nys h GLU 37 Cb 0.43 0.09 -0.08 0.00 0.50 0.00 0.00 28.75 29.69 1nys h GLU 37 CO -0.08 -0.27 0.58 -0.07 -1.00 0.00 0.00 179.01 178.17 1nys h LEU 38 N -0.42 0.84 -0.18 1.33 3.38 -1.97 0.18 115.31 118.48 1nys h LEU 38 Ca -0.04 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1nys h LEU 38 Cb 0.32 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1nys h LEU 38 CO 0.07 0.45 0.00 -0.62 0.09 0.00 0.00 178.44 178.43 1nys n GLU 39 N -4.66 0.10 -3.38 1.13 1.02 -1.11 -4.93 120.64 108.82 1nys n GLU 39 Ca 0.17 0.22 -0.18 0.00 -0.02 0.00 0.00 57.16 57.36 1nys n GLU 39 Cb 0.34 -1.65 0.08 0.00 -0.02 0.00 0.00 31.44 30.18 1nys n GLU 39 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1nys n ARG 40 N -1.83 -6.48 -4.39 3.49 3.00 0.14 -5.03 116.66 105.55 1nys n ARG 40 Ca 0.04 0.78 -0.20 0.00 -0.01 0.00 0.00 57.85 58.46 1nys n ARG 40 Cb 0.28 -5.61 -0.10 0.00 0.00 0.00 0.00 32.46 27.03 1nys n ARG 40 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1nys s THR 41 N -3.32 1.91 0.71 0.55 -4.23 0.14 -5.02 115.64 106.38 1nys s THR 41 Ca 0.16 -2.25 -0.15 0.00 -1.18 0.00 0.00 61.69 58.27 1nys s THR 41 Cb -0.07 -2.17 0.03 0.00 1.34 0.00 0.00 72.50 71.62 1nys s THR 41 CO 0.67 -0.50 1.19 0.20 -0.54 0.00 0.00 174.62 175.63 1nys s ASN 42 N -3.38 4.46 0.26 3.99 0.01 -1.26 -4.46 114.94 114.56 1nys s ASN 42 Ca 0.25 2.28 0.15 0.00 -0.71 0.00 0.00 52.86 54.83 1nys s ASN 42 Cb -0.01 -2.58 0.04 0.00 0.41 0.00 0.00 41.25 39.11 1nys s ASN 42 CO 0.10 -2.08 1.41 -0.61 -1.51 0.00 0.00 177.10 174.40 1nys h GLN 43 N -0.14 0.00 0.00 -0.60 4.15 -1.92 -3.42 115.11 113.18 1nys h GLN 43 Ca -0.48 0.00 0.01 0.00 0.77 0.00 0.00 58.65 58.95 1nys h GLN 43 Cb 1.28 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.97 1nys h GLN 43 CO 0.51 0.52 0.05 0.45 -1.93 0.00 0.00 178.83 178.43 1nys n SER 44 N -3.22 -0.19 0.00 -0.69 2.88 -1.26 -2.48 113.62 108.67 1nys n SER 44 Ca 0.01 -1.11 0.00 0.00 -1.33 0.00 0.00 58.87 56.44 1nys n SER 44 Cb 0.75 0.31 0.00 0.00 -0.75 0.00 0.00 64.21 64.52 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 -0.06 0.33 3.99 0.46 0.00 -1.18 -4.89 105.19 103.85 1nys n GLY 45 Ca -0.00 -2.28 -0.19 0.00 0.00 0.00 0.00 46.02 43.55 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 3.47 -0.07 0.99 2.34 -1.26 0.12 118.68 124.27 1nys s LEU 46 Ca 0.00 -0.23 -0.03 0.00 0.06 0.00 0.00 54.13 53.93 1nys s LEU 46 Cb 0.00 -2.75 0.04 0.00 -0.56 0.00 0.00 46.19 42.92 1nys s LEU 46 CO 0.00 -0.96 0.13 -0.70 -1.06 0.00 0.00 176.35 173.77 1nys s GLU 47 N -4.56 0.04 -0.09 1.48 2.12 0.88 -4.61 118.70 113.96 1nys s GLU 47 Ca 0.56 0.44 -0.25 0.00 0.36 0.00 0.00 54.97 56.08 1nys s GLU 47 Cb -0.10 -0.25 -0.03 0.00 0.26 0.00 0.00 34.13 34.01 1nys s GLU 47 CO 0.36 -0.24 0.77 1.03 -0.54 0.00 0.00 175.26 176.63 1nys s ARG 48 N 1.72 4.40 -0.31 4.30 0.52 -1.26 -1.18 118.95 127.14 1nys s ARG 48 Ca -0.03 0.97 -0.22 0.00 -0.52 0.00 0.00 55.73 55.93 1nys s ARG 48 Cb -0.12 -3.49 -0.00 0.00 0.52 0.00 0.00 34.95 31.86 1nys s ARG 48 CO -0.05 -0.07 0.71 0.00 0.02 0.00 0.00 175.30 175.91 1nys s GLU 50 N 2.78 2.71 0.00 0.00 -1.05 -1.26 -4.31 118.70 117.57 1nys s GLU 50 Ca 0.29 -0.63 0.00 0.00 -0.15 0.00 0.00 54.97 54.48 1nys s GLU 50 Cb -0.15 -2.61 0.00 0.00 -0.44 0.00 0.00 34.13 30.94 1nys s GLU 50 CO 0.12 0.63 0.00 0.41 0.95 0.00 0.00 175.26 177.37 1nys n GLY 51 N 1.60 4.29 3.77 -3.83 0.00 -1.26 -5.09 105.19 104.67 1nys n GLY 51 Ca -0.16 -0.73 -0.38 0.00 0.00 0.00 0.00 46.02 44.75 1nys n GLY 51 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nys s GLU 52 N 2.29 4.63 0.02 1.61 0.41 -1.26 -4.97 118.70 121.42 1nys s GLU 52 Ca 0.00 1.48 -0.04 0.00 -0.41 0.00 0.00 54.97 56.00 1nys s GLU 52 Cb 0.00 -2.98 -0.01 0.00 -1.78 0.00 0.00 34.13 29.36 1nys s GLU 52 CO 0.00 0.30 0.22 0.00 -0.49 0.00 0.00 175.26 175.28 1nys n GLN 53 N 0.88 -0.05 -0.05 1.61 10.64 -1.26 -1.73 117.38 127.41 1nys n GLN 53 Ca 0.01 0.21 0.02 0.00 -1.83 0.00 0.00 57.00 55.41 1nys n GLN 53 Cb 0.48 -0.31 0.03 0.00 -0.86 0.00 0.00 30.24 29.58 1nys n GLN 53 CO 0.00 0.00 0.00 -0.40 -1.83 0.00 0.00 177.06 174.83 1nys n ASP 54 N -3.81 1.60 -4.87 2.61 5.75 -1.26 -5.02 116.55 111.56 1nys n ASP 54 Ca 0.00 -2.06 -0.31 0.00 -0.01 0.00 0.00 54.79 52.41 1nys n ASP 54 Cb 0.03 -0.11 -0.05 0.00 -1.03 0.00 0.00 41.12 39.97 1nys n ASP 54 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1nys s LYS 55 N -1.17 3.86 0.55 0.11 -0.14 -0.71 -5.06 119.74 117.18 1nys s LYS 55 Ca 0.07 0.49 -0.17 0.00 -1.36 0.00 0.00 55.97 54.99 1nys s LYS 55 Cb 0.06 -2.46 -0.06 0.00 -1.68 0.00 0.00 37.83 33.69 1nys s LYS 55 CO 0.01 0.11 1.04 1.03 -0.76 0.00 0.00 175.35 176.77 1nys s ARG 56 N -3.34 3.57 -0.09 1.68 0.52 -1.26 -4.67 118.95 115.37 1nys s ARG 56 Ca 0.51 1.20 0.03 0.00 -0.52 0.00 0.00 55.73 56.96 1nys s ARG 56 Cb -0.10 -2.07 0.01 0.00 0.52 0.00 0.00 34.95 33.30 1nys s ARG 56 CO 0.24 -0.60 -0.19 -0.51 0.02 0.00 0.00 175.30 174.26 1nys s LEU 57 N -4.12 1.91 0.00 2.53 1.43 -1.26 -2.41 118.68 116.76 1nys s LEU 57 Ca 0.64 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 53.29 1nys s LEU 57 Cb -0.15 -1.17 -0.00 0.00 0.03 0.00 0.00 46.19 44.90 1nys s LEU 57 CO 0.31 0.11 0.01 1.41 0.23 0.00 0.00 176.35 178.42 1nys n HIS 58 N 3.65 0.41 -4.14 0.29 8.25 -0.18 -4.50 115.22 118.99 1nys n HIS 58 Ca -0.21 -1.03 -0.13 0.00 -0.26 0.00 0.00 57.72 56.10 1nys n HIS 58 Cb 0.52 -0.11 -0.11 0.00 1.12 0.00 0.00 29.99 31.41 1nys n HIS 58 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1nys s TYR 60 N -2.57 0.62 -0.02 0.00 -0.85 0.00 -2.27 117.35 112.26 1nys s TYR 60 Ca 0.03 -0.79 -0.01 0.00 -0.52 0.00 0.00 57.07 55.78 1nys s TYR 60 Cb -0.02 -0.40 0.01 0.00 0.38 0.00 0.00 41.96 41.94 1nys s TYR 60 CO -0.02 -0.21 0.05 0.00 -1.52 0.00 0.00 175.55 173.86 1nys s ALA 61 N -2.81 -0.08 0.01 9.51 0.00 -1.16 -1.70 121.76 125.53 1nys s ALA 61 Ca 0.01 0.21 0.02 0.00 0.00 0.00 0.00 51.96 52.20 1nys s ALA 61 Cb -0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 23.12 22.97 1nys s ALA 61 CO -0.04 -0.05 -0.08 -1.54 0.00 0.00 0.00 175.76 174.05 1nys s SER 62 N 0.34 0.87 0.33 0.00 1.04 0.39 -1.45 113.70 115.22 1nys s SER 62 Ca -0.03 -0.23 -0.16 0.00 0.48 0.00 0.00 55.95 56.01 1nys s SER 62 Cb -0.04 -0.06 0.06 0.00 0.10 0.00 0.00 66.02 66.08 1nys s SER 62 CO -0.01 0.02 0.84 -2.67 0.98 0.00 0.00 173.24 172.40 1nys n TRP 63 N 2.54 -2.08 -3.75 5.02 2.14 -0.74 -0.53 117.44 120.04 1nys n TRP 63 Ca -0.15 -1.67 -0.29 0.00 2.07 0.00 0.00 57.50 57.45 1nys n TRP 63 Cb 0.57 0.83 -0.15 0.00 -0.81 0.00 0.00 31.31 31.75 1nys n TRP 63 CO 0.00 0.00 0.00 1.03 2.07 0.00 0.00 177.69 180.79 1nys s ARG 64 N -2.08 0.77 -0.95 -2.67 0.52 0.66 -0.74 118.95 114.47 1nys s ARG 64 Ca 0.17 -0.91 -0.14 0.00 -0.52 0.00 0.00 55.73 54.33 1nys s ARG 64 Cb -0.04 -2.06 0.20 0.00 0.52 0.00 0.00 34.95 33.57 1nys s ARG 64 CO 0.10 -0.87 1.00 1.21 0.02 0.00 0.00 175.30 176.76 1nys s ASN 65 N 1.66 6.86 -0.21 0.23 2.47 -1.26 -1.30 114.94 123.39 1nys s ASN 65 Ca 0.06 -2.70 -0.01 0.00 0.42 0.00 0.00 52.86 50.63 1nys s ASN 65 Cb -0.17 -2.29 -0.12 0.00 -1.45 0.00 0.00 41.25 37.22 1nys s ASN 65 CO -0.20 -0.68 -0.20 -1.20 -3.72 0.00 0.00 177.10 171.10 1nys n SER 66 N 4.67 2.21 -0.03 -4.21 7.64 -1.23 -4.79 113.62 117.88 1nys n SER 66 Ca 0.21 -0.02 -0.21 0.00 1.01 0.00 0.00 58.87 59.85 1nys n SER 66 Cb 0.46 -0.40 -0.13 0.00 -1.01 0.00 0.00 64.21 63.13 1nys n SER 66 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1nys h SER 67 N -0.18 0.26 0.00 6.43 4.64 -2.02 -3.46 113.55 119.22 1nys h SER 67 Ca -0.48 -0.78 0.00 0.00 -0.47 0.00 0.00 61.79 60.06 1nys h SER 67 Cb 1.66 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.66 1nys h SER 67 CO -0.13 1.61 0.00 0.61 -0.87 0.00 0.00 176.83 178.04 1nys n GLY 68 N 1.70 -0.08 3.70 -0.77 0.00 -1.26 -5.10 105.19 103.38 1nys n GLY 68 Ca -0.28 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 1nys n GLY 68 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1nys s THR 69 N 0.00 4.41 -0.18 2.61 -1.32 -1.26 -5.11 115.64 114.79 1nys s THR 69 Ca 0.00 -0.28 -0.09 0.00 -1.21 0.00 0.00 61.69 60.11 1nys s THR 69 Cb 0.00 -2.89 -0.05 0.00 -1.51 0.00 0.00 72.50 68.05 1nys s THR 69 CO 0.00 0.55 0.13 -0.63 -2.21 0.00 0.00 174.62 172.46 1nys s ILE 70 N -0.95 5.39 -0.24 5.08 1.01 -1.26 -3.51 121.20 126.72 1nys s ILE 70 Ca 0.15 0.18 -0.03 0.00 0.00 0.00 0.00 60.65 60.95 1nys s ILE 70 Cb -0.11 -3.43 0.01 0.00 0.01 0.00 0.00 42.46 38.94 1nys s ILE 70 CO 0.05 0.49 -0.04 -1.61 0.00 0.00 0.00 174.94 173.83 1nys s GLU 71 N -0.01 3.09 -0.03 2.79 0.41 -0.42 -4.93 118.70 119.60 1nys s GLU 71 Ca 0.10 -0.82 -0.30 0.00 -0.41 0.00 0.00 54.97 53.54 1nys s GLU 71 Cb -0.11 -3.03 -0.05 0.00 -1.78 0.00 0.00 34.13 29.15 1nys s GLU 71 CO -0.00 -0.32 1.51 -0.51 -0.49 0.00 0.00 175.26 175.45 1nys s LEU 72 N 1.41 4.31 -0.03 1.80 1.43 -1.26 -0.24 118.68 126.09 1nys s LEU 72 Ca 0.03 2.16 -0.02 0.00 -1.03 0.00 0.00 54.13 55.27 1nys s LEU 72 Cb -0.16 -3.55 -0.01 0.00 0.03 0.00 0.00 46.19 42.51 1nys s LEU 72 CO -0.03 -0.82 -0.05 0.52 0.23 0.00 0.00 176.35 176.20 1nys n VAL 73 N 5.05 0.28 -3.93 -1.59 0.31 0.31 -4.40 118.33 114.36 1nys n VAL 73 Ca 0.15 0.44 -0.10 0.00 -0.01 0.00 0.00 64.34 64.82 1nys n VAL 73 Cb 0.43 -1.67 -0.07 0.00 -0.91 0.00 0.00 33.84 31.62 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 -1.29 1.18 -0.20 5.55 1.02 -0.99 -1.36 119.74 123.65 1nys s LYS 74 Ca -0.04 -1.12 -0.11 0.00 0.02 0.00 0.00 55.97 54.71 1nys s LYS 74 Cb 0.01 0.40 0.06 0.00 -0.52 0.00 0.00 37.83 37.78 1nys s LYS 74 CO 0.06 -0.44 0.48 0.15 -0.92 0.00 0.00 175.35 174.68 1nys s LYS 75 N -3.95 0.48 0.00 1.68 1.02 -0.68 -0.46 119.74 117.83 1nys s LYS 75 Ca 0.16 0.90 0.00 0.00 0.02 0.00 0.00 55.97 57.05 1nys s LYS 75 Cb 0.03 0.03 0.00 0.00 -0.52 0.00 0.00 37.83 37.36 1nys s LYS 75 CO -0.01 -0.15 0.00 0.41 -0.92 0.00 0.00 175.35 174.68 1nys n GLY 76 N 4.23 1.39 3.77 -3.33 0.00 -0.69 -0.81 105.19 109.75 1nys n GLY 76 Ca -0.22 -0.69 -0.29 0.00 0.00 0.00 0.00 46.02 44.82 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 -3.22 -0.85 -0.18 0.00 -0.11 -0.40 -4.54 118.94 109.64 1nys s TRP 78 Ca 0.64 1.84 -0.17 0.00 1.22 0.00 0.00 56.10 59.63 1nys s TRP 78 Cb -0.15 0.41 -0.04 0.00 -1.50 0.00 0.00 33.47 32.19 1nys s TRP 78 CO 0.54 -0.42 0.46 -0.51 -4.62 0.00 0.00 176.95 172.40 1nys s LEU 79 N 1.03 4.18 0.00 5.86 1.43 -1.26 -1.01 118.68 128.91 1nys s LEU 79 Ca -0.06 0.64 0.00 0.00 -1.03 0.00 0.00 54.13 53.68 1nys s LEU 79 Cb -0.05 -2.62 0.00 0.00 0.03 0.00 0.00 46.19 43.55 1nys s LEU 79 CO -0.10 -0.10 0.00 -0.67 0.23 0.00 0.00 176.35 175.71 1nys n ASP 80 N 4.41 0.00 -4.46 2.29 -0.08 -1.01 -4.95 116.55 112.75 1nys n ASP 80 Ca -0.07 0.00 -0.25 0.00 -1.51 0.00 0.00 54.79 52.96 1nys n ASP 80 Cb 0.51 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.86 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 0.00 3.59 0.15 1.67 -1.08 -1.26 -5.03 116.67 114.71 1nys s ASP 81 Ca 0.00 -0.96 0.21 0.00 -0.52 0.00 0.00 52.55 51.28 1nys s ASP 81 Cb 0.00 -0.31 -0.05 0.00 -1.46 0.00 0.00 42.92 41.10 1nys s ASP 81 CO 0.00 0.06 0.96 2.22 0.52 0.00 0.00 175.17 178.93 1nys n PHE 82 N -0.35 0.94 0.39 -5.34 -0.00 -1.26 -3.66 117.46 108.19 1nys n PHE 82 Ca -0.07 0.29 0.08 0.00 -0.00 0.00 0.00 57.45 57.74 1nys n PHE 82 Cb 0.59 -0.98 0.36 0.00 -0.00 0.00 0.00 39.48 39.44 1nys n PHE 82 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 1nys n ASN 83 N -2.73 0.27 -0.00 5.98 5.03 -1.26 -2.18 115.26 120.37 1nys n ASN 83 Ca -0.03 0.57 0.09 0.00 0.87 0.00 0.00 54.58 56.08 1nys n ASN 83 Cb 0.64 -0.63 -0.13 0.00 -1.02 0.00 0.00 39.78 38.64 1nys n ASN 83 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1nys n TYR 85 N -1.85 1.04 -1.25 0.00 4.02 -0.93 -2.38 117.16 115.82 1nys n TYR 85 Ca -0.01 0.74 -0.01 0.00 -0.01 0.00 0.00 57.90 58.61 1nys n TYR 85 Cb 0.40 -2.22 -0.00 0.00 -0.02 0.00 0.00 39.34 37.50 1nys n TYR 85 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1nys n ASP 86 N 1.68 -0.45 -4.52 7.72 9.92 -1.26 -4.88 116.55 124.76 1nys n ASP 86 Ca 0.13 0.09 -0.43 0.00 -0.53 0.00 0.00 54.79 54.06 1nys n ASP 86 Cb 0.27 -0.82 -0.08 0.00 -0.64 0.00 0.00 41.12 39.86 1nys n ASP 86 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1nys s ARG 87 N -2.53 3.32 0.18 -1.24 0.52 -1.00 -4.92 118.95 113.28 1nys s ARG 87 Ca 0.00 -0.42 0.26 0.00 -0.52 0.00 0.00 55.73 55.05 1nys s ARG 87 Cb 0.00 -3.92 0.89 0.00 0.52 0.00 0.00 34.95 32.45 1nys s ARG 87 CO 0.00 -0.87 1.78 1.04 0.02 0.00 0.00 175.30 177.27 1nys n GLN 88 N 5.94 0.21 -4.55 3.54 6.02 -1.26 -0.20 117.38 127.07 1nys n GLN 88 Ca -0.04 0.21 -0.25 0.00 -0.01 0.00 0.00 57.00 56.92 1nys n GLN 88 Cb 0.48 -1.76 -0.14 0.00 1.02 0.00 0.00 30.24 29.84 1nys n GLN 88 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1nys s GLU 89 N -3.11 1.30 -0.54 -1.09 2.02 -1.26 -4.78 118.70 111.24 1nys s GLU 89 Ca 0.10 -0.97 -0.26 0.00 0.02 0.00 0.00 54.97 53.87 1nys s GLU 89 Cb 0.13 -1.44 0.04 0.00 0.10 0.00 0.00 34.13 32.96 1nys s GLU 89 CO 0.55 0.36 1.01 0.00 0.02 0.00 0.00 175.26 177.20 1nys s VAL 91 N 4.18 1.46 -0.34 0.00 1.01 -1.26 -2.19 120.40 123.25 1nys s VAL 91 Ca 0.35 -0.60 -0.25 0.00 0.00 0.00 0.00 61.98 61.48 1nys s VAL 91 Cb -0.11 -1.35 0.01 0.00 0.00 0.00 0.00 36.38 34.93 1nys s VAL 91 CO 0.23 0.43 0.89 0.00 0.00 0.00 0.00 175.10 176.65 1nys s ALA 92 N 1.15 3.46 -0.15 5.51 0.00 0.11 -4.20 121.76 127.65 1nys s ALA 92 Ca -0.03 -0.41 -0.24 0.00 0.00 0.00 0.00 51.96 51.28 1nys s ALA 92 Cb -0.14 -3.46 -0.21 0.00 0.00 0.00 0.00 23.12 19.30 1nys s ALA 92 CO -0.04 -1.45 0.57 1.79 0.00 0.00 0.00 175.76 176.62 1nys h THR 93 N 5.73 1.40 -2.29 0.00 1.35 -1.88 -1.75 112.91 115.47 1nys h THR 93 Ca -0.23 -2.12 -0.62 0.00 -0.55 0.00 0.00 66.41 62.89 1nys h THR 93 Cb 1.08 2.71 0.09 0.00 -1.73 0.00 0.00 68.15 70.31 1nys h THR 93 CO 0.95 0.47 0.25 -0.62 -0.25 0.00 0.00 175.52 176.32 1nys n GLU 94 N -4.61 1.37 -2.97 4.72 -0.58 -1.26 -4.61 120.64 112.70 1nys n GLU 94 Ca -0.12 0.48 -0.41 0.00 -0.42 0.00 0.00 57.16 56.70 1nys n GLU 94 Cb 0.44 -1.94 -0.04 0.00 -0.57 0.00 0.00 31.44 29.33 1nys n GLU 94 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 1nys s GLU 95 N -0.95 4.37 -1.33 3.49 -1.05 -1.26 -4.45 118.70 117.53 1nys s GLU 95 Ca 0.65 0.94 -0.01 0.00 -0.15 0.00 0.00 54.97 56.41 1nys s GLU 95 Cb -0.75 -3.51 0.00 0.00 -0.44 0.00 0.00 34.13 29.43 1nys s GLU 95 CO 0.56 -0.12 0.68 -1.71 0.95 0.00 0.00 175.26 175.61 1nys n ASN 96 N 4.44 -1.20 -4.93 0.83 2.85 -1.26 -5.01 115.26 110.99 1nys n ASN 96 Ca 0.01 -0.84 -0.26 0.00 -0.11 0.00 0.00 54.58 53.39 1nys n ASN 96 Cb 0.50 -3.93 0.03 0.00 1.24 0.00 0.00 39.78 37.62 1nys n ASN 96 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1nys s PRO 97 N -6.07 2.88 0.34 1.20 0.04 -1.26 -4.97 135.00 127.15 1nys s PRO 97 Ca 0.03 -0.13 0.17 0.00 0.04 0.00 0.00 61.00 61.11 1nys s PRO 97 Cb -0.02 -2.32 0.48 0.00 0.04 0.00 0.00 34.50 32.69 1nys s PRO 97 CO 0.82 -0.67 1.64 1.96 0.04 0.00 0.00 177.00 180.79 1nys h GLN 98 N -0.10 0.00 -3.70 4.56 1.08 -1.95 -3.41 115.11 111.59 1nys h GLN 98 Ca -0.45 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 56.24 1nys h GLN 98 Cb 1.26 0.00 -0.39 0.00 -0.05 0.00 0.00 27.48 28.30 1nys h GLN 98 CO 0.60 0.43 -0.77 0.08 -0.95 0.00 0.00 178.83 178.22 1nys s VAL 99 N -3.39 0.60 0.38 -0.54 1.01 -1.26 -4.72 120.40 112.48 1nys s VAL 99 Ca 0.01 -0.41 -0.23 0.00 0.00 0.00 0.00 61.98 61.34 1nys s VAL 99 Cb 0.10 -0.96 -0.10 0.00 0.00 0.00 0.00 36.38 35.41 1nys s VAL 99 CO 0.71 -0.04 0.96 -0.31 0.00 0.00 0.00 175.10 176.42 1nys s TYR 100 N 1.84 3.46 -0.02 5.22 1.51 0.08 -4.90 117.35 124.54 1nys s TYR 100 Ca 0.01 1.69 -0.04 0.00 -1.01 0.00 0.00 57.07 57.72 1nys s TYR 100 Cb -0.16 -2.91 0.00 0.00 -0.11 0.00 0.00 41.96 38.79 1nys s TYR 100 CO -0.07 -0.03 0.09 0.12 -1.11 0.00 0.00 175.55 174.54 1nys s PHE 101 N -1.88 -0.02 0.01 2.71 5.36 -1.26 -1.79 117.98 121.10 1nys s PHE 101 Ca 0.57 0.05 0.00 0.00 -0.96 0.00 0.00 56.93 56.59 1nys s PHE 101 Cb -0.14 -0.02 -0.01 0.00 -0.34 0.00 0.00 43.02 42.51 1nys s PHE 101 CO 0.19 -0.13 -0.02 0.00 -1.46 0.00 0.00 175.22 173.81 1nys s GLU 105 N -3.97 1.83 0.00 0.00 2.12 0.72 -0.41 118.70 118.99 1nys s GLU 105 Ca 0.16 -1.81 0.00 0.00 0.36 0.00 0.00 54.97 53.69 1nys s GLU 105 Cb 0.05 -1.79 0.00 0.00 0.26 0.00 0.00 34.13 32.64 1nys s GLU 105 CO -0.02 0.23 0.00 0.41 -0.54 0.00 0.00 175.26 175.35 1nys n GLY 106 N -0.75 -0.77 3.09 -1.50 0.00 -1.26 -4.48 105.19 99.52 1nys n GLY 106 Ca -0.05 -1.17 -0.40 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.23 -2.60 -0.32 1.61 5.03 -1.26 -1.74 115.26 115.75 1nys n ASN 107 Ca 0.00 0.78 -0.00 0.00 0.87 0.00 0.00 54.58 56.23 1nys n ASN 107 Cb 0.00 -0.83 -0.00 0.00 -1.02 0.00 0.00 39.78 37.93 1nys n ASN 107 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 1nys n PHE 108 N -0.89 -0.31 0.26 3.10 3.01 -0.74 -4.71 117.46 117.19 1nys n PHE 108 Ca 0.11 0.00 0.17 0.00 1.01 0.00 0.00 57.45 58.74 1nys n PHE 108 Cb 0.36 -0.72 0.82 0.00 -0.01 0.00 0.00 39.48 39.93 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 -3.18 0.57 -0.16 0.00 6.94 -1.26 -4.04 115.26 114.12 1nys n ASN 110 Ca 0.01 -0.80 -0.03 0.00 -0.02 0.00 0.00 54.58 53.73 1nys n ASN 110 Cb 0.42 -0.04 0.06 0.00 -2.36 0.00 0.00 39.78 37.87 1nys n ASN 110 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 1nys h GLU 111 N 0.78 0.36 -5.03 -3.83 4.22 -1.63 -3.39 114.58 106.05 1nys h GLU 111 Ca 0.00 -0.02 -0.64 0.00 0.08 0.00 0.00 59.36 58.78 1nys h GLU 111 Cb 0.32 -0.08 -0.21 0.00 0.50 0.00 0.00 28.75 29.28 1nys h GLU 111 CO 0.00 0.24 -0.61 0.50 -2.18 0.00 0.00 179.01 176.96 1nys s ARG 112 N -6.13 3.73 0.24 1.92 3.52 -1.26 -5.10 118.95 115.87 1nys s ARG 112 Ca -0.13 -0.45 0.08 0.00 -0.13 0.00 0.00 55.73 55.11 1nys s ARG 112 Cb 0.15 -3.30 -0.05 0.00 -1.56 0.00 0.00 34.95 30.19 1nys s ARG 112 CO 0.73 -0.08 -0.13 -0.59 -0.81 0.00 0.00 175.30 174.42 1nys s PHE 113 N 1.31 1.87 0.32 5.12 -0.12 -1.26 -4.20 117.98 121.03 1nys s PHE 113 Ca 0.05 -0.56 -0.12 0.00 -0.05 0.00 0.00 56.93 56.25 1nys s PHE 113 Cb -0.15 -0.91 0.02 0.00 -0.63 0.00 0.00 43.02 41.36 1nys s PHE 113 CO 0.04 0.41 0.61 0.95 -0.05 0.00 0.00 175.22 177.17 1nys s THR 114 N -2.89 0.00 0.10 -4.49 -4.23 -0.93 -5.04 115.64 98.15 1nys s THR 114 Ca 0.25 -1.27 0.09 0.00 -1.18 0.00 0.00 61.69 59.58 1nys s THR 114 Cb -0.00 -2.50 -0.03 0.00 1.34 0.00 0.00 72.50 71.30 1nys s THR 114 CO 0.09 0.00 -0.22 -1.38 -0.54 0.00 0.00 174.62 172.58 1nys s HIS 115 N -3.21 1.88 0.00 3.99 -0.00 -1.26 0.09 115.29 116.78 1nys s HIS 115 Ca 0.21 -0.41 0.00 0.00 -0.00 0.00 0.00 55.06 54.86 1nys s HIS 115 Cb -0.03 -1.04 0.00 0.00 -0.00 0.00 0.00 32.58 31.51 1nys s HIS 115 CO 0.13 0.21 0.00 1.28 -0.00 0.00 0.00 174.74 176.35