#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pyu s ALA 27 N 1.46 3.41 -0.03 0.00 0.00 -0.41 -1.30 121.76 124.89 1pyu s ALA 27 Ca 0.01 0.06 -0.00 0.00 0.00 0.00 0.00 51.96 52.03 1pyu s ALA 27 Cb -0.15 -2.84 0.03 0.00 0.00 0.00 0.00 23.12 20.16 1pyu s ALA 27 CO -0.09 0.02 0.02 0.42 0.00 0.00 0.00 175.76 176.13 1pyu s ILE 28 N 0.36 0.10 -0.34 0.00 1.01 -0.22 -0.69 121.20 121.41 1pyu s ILE 28 Ca 0.34 0.17 -0.43 0.00 0.00 0.00 0.00 60.65 60.73 1pyu s ILE 28 Cb -0.18 -0.23 -0.19 0.00 0.01 0.00 0.00 42.46 41.87 1pyu s ILE 28 CO 0.17 0.15 1.38 -0.67 0.00 0.00 0.00 174.94 175.97 1pyu n ASP 29 N 4.42 0.83 -0.31 3.58 -0.08 -0.64 -0.56 116.55 123.79 1pyu n ASP 29 Ca -0.21 1.12 0.21 0.00 -1.51 0.00 0.00 54.79 54.40 1pyu n ASP 29 Cb 0.50 -0.85 0.49 0.00 2.34 0.00 0.00 41.12 43.61 1pyu n ASP 29 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 1pyu h GLN 30 N 4.23 0.42 -0.94 -0.67 5.75 -1.21 -0.01 115.11 122.68 1pyu h GLN 30 Ca -0.44 -0.03 0.10 0.00 -0.15 0.00 0.00 58.65 58.14 1pyu h GLN 30 Cb 1.32 -0.09 -0.07 0.00 1.07 0.00 0.00 27.48 29.70 1pyu h GLN 30 CO 0.84 0.28 0.60 -0.44 -2.65 0.00 0.00 178.83 177.46 1pyu h ASP 31 N 0.43 0.86 -0.17 -0.69 3.32 -1.87 0.69 116.42 118.98 1pyu h ASP 31 Ca 0.57 0.03 -0.12 0.00 0.02 0.00 0.00 57.03 57.53 1pyu h ASP 31 Cb 1.40 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.81 1pyu h ASP 31 CO -0.29 0.49 -0.37 -0.26 -1.72 0.00 0.00 179.24 177.10 1pyu h PHE 32 N 0.94 0.70 -0.54 4.55 0.04 -1.34 -2.22 116.94 119.07 1pyu h PHE 32 Ca 0.44 -0.26 0.01 0.00 2.80 0.00 0.00 57.97 60.96 1pyu h PHE 32 Cb 0.43 -0.13 -0.03 0.00 2.20 0.00 0.00 35.95 38.43 1pyu h PHE 32 CO -0.00 1.00 0.35 -0.07 -0.60 0.00 0.00 178.31 178.99 1pyu h LEU 33 N 0.21 0.60 -0.35 1.54 3.38 -1.05 -1.77 115.31 117.88 1pyu h LEU 33 Ca 0.00 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.01 1pyu h LEU 33 Cb 0.97 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 1pyu h LEU 33 CO 0.08 0.44 0.08 0.44 0.09 0.00 0.00 178.44 179.56 1pyu h ASP 34 N 0.72 0.03 -0.39 -0.43 3.32 -0.83 -0.12 116.42 118.71 1pyu h ASP 34 Ca 0.20 0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.25 1pyu h ASP 34 Cb -0.07 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1pyu h ASP 34 CO -0.05 0.05 0.07 0.00 -1.72 0.00 0.00 179.24 177.59 1pyu h ALA 35 N 1.25 1.24 -0.01 3.45 0.00 -0.99 -2.94 119.26 121.25 1pyu h ALA 35 Ca 0.16 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1pyu h ALA 35 Cb 0.18 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1pyu h ALA 35 CO -0.21 0.52 -0.23 0.00 0.00 0.00 0.00 179.25 179.33 1pyu n ALA 36 N -2.47 3.03 -1.14 0.00 0.00 -0.70 -4.56 120.51 114.67 1pyu n ALA 36 Ca 0.03 -0.50 -0.05 0.00 0.00 0.00 0.00 53.44 52.93 1pyu n ALA 36 Cb 0.24 -1.03 -0.02 0.00 0.00 0.00 0.00 19.45 18.64 1pyu n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pyu n GLY 37 N 1.33 0.71 3.76 0.00 0.00 -0.17 -4.61 105.19 106.21 1pyu n GLY 37 Ca 0.13 -0.33 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 1pyu n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pyu s ILE 38 N -1.98 4.81 0.10 -0.61 1.01 -0.55 -5.01 121.20 118.97 1pyu s ILE 38 Ca 0.00 1.44 -0.02 0.00 0.00 0.00 0.00 60.65 62.07 1pyu s ILE 38 Cb 0.00 -4.02 -0.05 0.00 0.01 0.00 0.00 42.46 38.40 1pyu s ILE 38 CO 0.00 0.40 0.28 -0.76 0.00 0.00 0.00 174.94 174.86 1pyu s LEU 39 N -0.18 4.32 0.19 2.97 1.43 -1.26 -4.48 118.68 121.67 1pyu s LEU 39 Ca 0.35 0.38 -0.33 0.00 -1.03 0.00 0.00 54.13 53.50 1pyu s LEU 39 Cb -0.19 -3.09 -0.14 0.00 0.03 0.00 0.00 46.19 42.79 1pyu s LEU 39 CO 0.20 0.11 1.42 1.21 0.23 0.00 0.00 176.35 179.53 1pyu n GLU 40 N 0.14 1.87 -0.96 1.70 2.13 -1.26 -1.64 120.64 122.62 1pyu n GLU 40 Ca -0.04 0.67 0.00 0.00 0.66 0.00 0.00 57.16 58.45 1pyu n GLU 40 Cb 0.51 -2.34 0.00 0.00 0.27 0.00 0.00 31.44 29.89 1pyu n GLU 40 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1pyu n ASN 41 N 2.54 -2.75 -4.76 4.31 3.02 0.87 -4.98 115.26 113.51 1pyu n ASN 41 Ca 0.14 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.30 1pyu n ASN 41 Cb 0.29 -1.21 -0.06 0.00 -0.61 0.00 0.00 39.78 38.18 1pyu n ASN 41 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1pyu s GLU 42 N -0.51 4.81 0.27 3.52 2.12 -0.65 -4.71 118.70 123.54 1pyu s GLU 42 Ca 0.00 1.47 -0.31 0.00 0.36 0.00 0.00 54.97 56.49 1pyu s GLU 42 Cb 0.00 -3.20 -0.12 0.00 0.26 0.00 0.00 34.13 31.07 1pyu s GLU 42 CO 0.00 0.48 1.54 0.00 -0.54 0.00 0.00 175.26 176.73 1pyu n ALA 43 N 1.33 2.06 -2.88 6.30 0.00 -1.26 -1.04 120.51 125.02 1pyu n ALA 43 Ca -0.01 0.39 -0.12 0.00 0.00 0.00 0.00 53.44 53.69 1pyu n ALA 43 Cb 0.47 -2.40 -0.11 0.00 0.00 0.00 0.00 19.45 17.41 1pyu n ALA 43 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1pyu s ILE 44 N 0.04 0.45 -0.12 0.00 -4.36 -0.29 -4.57 121.20 112.35 1pyu s ILE 44 Ca 0.66 -1.01 -0.07 0.00 -0.26 0.00 0.00 60.65 59.97 1pyu s ILE 44 Cb -0.55 -0.53 -0.04 0.00 1.25 0.00 0.00 42.46 42.59 1pyu s ILE 44 CO 0.48 -0.38 0.14 -1.81 0.24 0.00 0.00 174.94 173.61 1pyu s ASP 45 N -1.49 6.38 -0.14 4.36 1.01 0.20 -1.11 116.67 125.87 1pyu s ASP 45 Ca -0.11 0.47 0.02 0.00 0.71 0.00 0.00 52.55 53.64 1pyu s ASP 45 Cb -0.10 -2.06 0.02 0.00 1.01 0.00 0.00 42.92 41.78 1pyu s ASP 45 CO 0.00 0.41 -0.18 -0.63 0.21 0.00 0.00 175.17 174.98 1pyu s ILE 46 N -1.02 1.77 -0.25 0.77 1.01 0.37 -1.12 121.20 122.73 1pyu s ILE 46 Ca 0.15 -0.79 -0.00 0.00 0.00 0.00 0.00 60.65 60.01 1pyu s ILE 46 Cb -0.12 -1.61 0.04 0.00 0.01 0.00 0.00 42.46 40.78 1pyu s ILE 46 CO 0.04 0.49 -0.08 0.26 0.00 0.00 0.00 174.94 175.66 1pyu s TRP 47 N 1.09 3.13 -0.47 3.97 0.51 -0.24 -1.43 118.94 125.50 1pyu s TRP 47 Ca -0.02 -1.84 -0.24 0.00 -2.12 0.00 0.00 56.10 51.87 1pyu s TRP 47 Cb -0.14 -2.02 0.03 0.00 -0.81 0.00 0.00 33.47 30.53 1pyu s TRP 47 CO -0.05 -0.80 0.88 1.21 -0.51 0.00 0.00 176.95 177.68 1pyu s ASN 48 N 1.24 6.45 0.27 2.95 3.84 0.08 -0.73 114.94 129.04 1pyu s ASN 48 Ca -0.03 -0.02 0.03 0.00 0.21 0.00 0.00 52.86 53.04 1pyu s ASN 48 Cb -0.18 -2.43 0.39 0.00 -0.55 0.00 0.00 41.25 38.49 1pyu s ASN 48 CO -0.05 -1.03 1.70 0.58 -2.79 0.00 0.00 177.10 175.51 1pyu h VAL 49 N 6.04 1.28 -0.15 -5.21 2.07 -1.16 0.21 116.25 119.34 1pyu h VAL 49 Ca -0.25 -1.35 -0.05 0.00 0.82 0.00 0.00 66.70 65.88 1pyu h VAL 49 Cb 1.08 1.43 -0.00 0.00 -1.52 0.00 0.00 31.29 32.28 1pyu h VAL 49 CO 1.01 0.42 -0.11 0.74 0.02 0.00 0.00 177.57 179.66 1pyu h THR 50 N 0.39 1.33 -0.02 2.57 2.02 -1.90 -3.37 112.91 113.94 1pyu h THR 50 Ca 0.05 -1.22 0.00 0.00 0.77 0.00 0.00 66.41 66.01 1pyu h THR 50 Cb 0.72 1.81 0.00 0.00 -1.74 0.00 0.00 68.15 68.95 1pyu h THR 50 CO 0.06 0.36 0.00 -0.46 0.37 0.00 0.00 175.52 175.84 1pyu n ASN 51 N -4.60 1.40 0.00 4.18 0.23 -1.22 -5.01 115.26 110.25 1pyu n ASN 51 Ca -0.06 -1.29 0.00 0.00 -0.53 0.00 0.00 54.58 52.70 1pyu n ASN 51 Cb 0.33 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 38.02 1pyu n ASN 51 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1pyu n GLY 52 N 0.03 1.53 3.76 4.83 0.00 0.74 -5.01 105.19 111.08 1pyu n GLY 52 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 1pyu n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pyu s LYS 53 N -0.12 3.59 -0.04 1.61 1.02 -1.25 -4.73 119.74 119.82 1pyu s LYS 53 Ca 0.00 2.01 0.01 0.00 0.02 0.00 0.00 55.97 58.01 1pyu s LYS 53 Cb 0.00 -2.43 0.02 0.00 -0.52 0.00 0.00 37.83 34.91 1pyu s LYS 53 CO 0.00 -0.76 -0.02 1.03 -0.92 0.00 0.00 175.35 174.67 1pyu s ARG 54 N -2.68 0.60 0.20 1.68 0.52 -1.26 -0.74 118.95 117.27 1pyu s ARG 54 Ca 0.65 -0.02 -0.13 0.00 -0.52 0.00 0.00 55.73 55.71 1pyu s ARG 54 Cb -0.35 -0.70 0.00 0.00 0.52 0.00 0.00 34.95 34.43 1pyu s ARG 54 CO 0.42 -0.11 0.42 -0.59 0.02 0.00 0.00 175.30 175.46 1pyu s PHE 55 N 1.01 0.25 -0.00 -0.53 -0.71 -0.52 -5.01 117.98 112.46 1pyu s PHE 55 Ca -0.10 -0.60 0.05 0.00 -1.04 0.00 0.00 56.93 55.24 1pyu s PHE 55 Cb -0.14 0.16 -0.02 0.00 -1.21 0.00 0.00 43.02 41.81 1pyu s PHE 55 CO -0.01 -0.88 -0.17 -1.54 -1.34 0.00 0.00 175.22 171.28 1pyu s SER 56 N -2.96 2.04 0.00 1.98 1.04 -1.26 -0.48 113.70 114.05 1pyu s SER 56 Ca 0.17 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.25 1pyu s SER 56 Cb 0.01 -0.21 0.00 0.00 0.10 0.00 0.00 66.02 65.91 1pyu s SER 56 CO 0.03 0.19 0.00 1.07 0.98 0.00 0.00 173.24 175.51 1pyu n THR 57 N 2.50 0.00 -4.22 2.02 5.66 -0.27 -5.00 114.28 114.96 1pyu n THR 57 Ca -0.15 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.72 1pyu n THR 57 Cb 0.54 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.22 1pyu n THR 57 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1pyu s TYR 58 N -0.43 1.14 0.10 1.09 1.13 -1.26 -1.14 117.35 117.98 1pyu s TYR 58 Ca 0.00 -0.82 -0.15 0.00 -1.41 0.00 0.00 57.07 54.68 1pyu s TYR 58 Cb 0.00 -0.61 -0.07 0.00 -1.10 0.00 0.00 41.96 40.19 1pyu s TYR 58 CO 0.00 -0.01 0.52 0.00 -2.51 0.00 0.00 175.55 173.55 1pyu s ALA 59 N -3.44 3.61 0.11 9.51 0.00 -0.20 -2.50 121.76 128.84 1pyu s ALA 59 Ca 0.15 -0.12 0.07 0.00 0.00 0.00 0.00 51.96 52.07 1pyu s ALA 59 Cb 0.04 -2.51 -0.04 0.00 0.00 0.00 0.00 23.12 20.61 1pyu s ALA 59 CO -0.01 0.45 -0.18 -1.50 0.00 0.00 0.00 175.76 174.52 1pyu s ILE 60 N -1.31 1.53 0.02 0.00 2.07 -0.42 -0.09 121.20 123.01 1pyu s ILE 60 Ca 0.33 -1.58 -0.29 0.00 -1.41 0.00 0.00 60.65 57.70 1pyu s ILE 60 Cb -0.16 -1.49 -0.04 0.00 0.13 0.00 0.00 42.46 40.90 1pyu s ILE 60 CO 0.18 -0.20 0.93 0.00 -1.91 0.00 0.00 174.94 173.95 1pyu s ALA 61 N -1.49 3.21 0.30 1.50 0.00 -1.26 -1.05 121.76 122.97 1pyu s ALA 61 Ca 0.06 0.49 0.06 0.00 0.00 0.00 0.00 51.96 52.57 1pyu s ALA 61 Cb -0.08 -3.26 -0.02 0.00 0.00 0.00 0.00 23.12 19.75 1pyu s ALA 61 CO 0.04 -0.15 0.41 0.00 0.00 0.00 0.00 175.76 176.06 1pyu s ALA 62 N 0.70 4.09 0.52 0.00 0.00 0.28 -4.68 121.76 122.67 1pyu s ALA 62 Ca 0.48 -1.41 -0.19 0.00 0.00 0.00 0.00 51.96 50.84 1pyu s ALA 62 Cb -0.21 -1.63 -0.10 0.00 0.00 0.00 0.00 23.12 21.17 1pyu s ALA 62 CO 0.27 0.06 0.45 -1.91 0.00 0.00 0.00 175.76 174.63 1pyu n GLU 63 N -1.53 0.47 -2.37 0.00 2.13 -1.26 -1.16 120.64 116.91 1pyu n GLU 63 Ca -0.03 0.18 -0.41 0.00 0.66 0.00 0.00 57.16 57.56 1pyu n GLU 63 Cb 0.58 -1.56 -0.04 0.00 0.27 0.00 0.00 31.44 30.69 1pyu n GLU 63 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1pyu s ARG 64 N -1.81 4.51 0.00 5.31 3.52 -1.26 -3.25 118.95 125.96 1pyu s ARG 64 Ca 0.66 1.89 0.00 0.00 -0.13 0.00 0.00 55.73 58.14 1pyu s ARG 64 Cb -0.49 -3.22 0.00 0.00 -1.56 0.00 0.00 34.95 29.68 1pyu s ARG 64 CO 0.57 -0.03 0.00 0.41 -0.81 0.00 0.00 175.30 175.44 1pyu n GLY 65 N 1.88 3.08 0.22 8.12 0.00 -1.26 -4.89 105.19 112.34 1pyu n GLY 65 Ca 0.03 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.20 1pyu n GLY 65 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1pyu h SER 66 N 0.00 0.00 -0.13 1.61 4.64 -1.92 -3.46 113.55 114.29 1pyu h SER 66 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 1pyu h SER 66 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1pyu h SER 66 CO 0.00 0.00 -0.05 0.54 -0.87 0.00 0.00 176.83 176.45 1pyu n ARG 67 N -2.67 -1.78 -2.36 4.77 1.74 -1.26 -4.95 116.66 110.15 1pyu n ARG 67 Ca 0.00 0.56 -0.41 0.00 -0.77 0.00 0.00 57.85 57.23 1pyu n ARG 67 Cb 0.19 -4.94 -0.03 0.00 -1.02 0.00 0.00 32.46 26.66 1pyu n ARG 67 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1pyu s ILE 68 N -1.30 3.64 -0.30 0.55 1.01 -1.26 -4.85 121.20 118.68 1pyu s ILE 68 Ca 0.00 1.31 0.00 0.00 0.00 0.00 0.00 60.65 61.96 1pyu s ILE 68 Cb 0.00 -3.84 0.09 0.00 0.01 0.00 0.00 42.46 38.73 1pyu s ILE 68 CO 0.00 0.18 0.07 -0.63 0.00 0.00 0.00 174.94 174.56 1pyu s ILE 69 N 0.28 1.15 -0.21 2.92 -1.09 -1.25 -1.61 121.20 121.39 1pyu s ILE 69 Ca 0.55 -1.51 -0.01 0.00 -2.23 0.00 0.00 60.65 57.45 1pyu s ILE 69 Cb -0.32 -1.82 0.01 0.00 -1.58 0.00 0.00 42.46 38.75 1pyu s ILE 69 CO 0.35 -0.60 -0.11 -0.55 -1.23 0.00 0.00 174.94 172.80 1pyu s SER 70 N 1.49 3.86 -0.51 3.58 0.15 0.14 -4.97 113.70 117.42 1pyu s SER 70 Ca 0.08 -0.64 -0.21 0.00 0.70 0.00 0.00 55.95 55.88 1pyu s SER 70 Cb -0.18 -1.61 0.05 0.00 -1.71 0.00 0.00 66.02 62.57 1pyu s SER 70 CO -0.20 -0.04 0.73 -0.69 1.20 0.00 0.00 173.24 174.24 1pyu s VAL 71 N 1.36 4.71 0.27 4.45 1.01 -1.26 -1.28 120.40 129.65 1pyu s VAL 71 Ca 0.04 -0.17 0.04 0.00 0.00 0.00 0.00 61.98 61.89 1pyu s VAL 71 Cb -0.15 -4.37 -0.03 0.00 0.00 0.00 0.00 36.38 31.84 1pyu s VAL 71 CO -0.07 -0.88 0.41 0.20 0.00 0.00 0.00 175.10 174.75 1pyu s ASN 72 N 2.66 6.31 0.64 3.32 0.01 -0.15 -4.06 114.94 123.67 1pyu s ASN 72 Ca 0.21 0.17 0.00 0.00 -0.71 0.00 0.00 52.86 52.53 1pyu s ASN 72 Cb -0.16 -1.90 0.00 0.00 0.41 0.00 0.00 41.25 39.59 1pyu s ASN 72 CO 0.15 -0.13 0.00 0.61 -1.51 0.00 0.00 177.10 176.23 1pyu n GLY 73 N -1.49 1.52 0.35 0.66 0.00 -1.26 -2.69 105.19 102.26 1pyu n GLY 73 Ca -0.08 -0.64 0.08 0.00 0.00 0.00 0.00 46.02 45.37 1pyu n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pyu h ALA 74 N -0.64 1.80 -0.18 4.61 0.00 -1.95 -2.32 119.26 120.57 1pyu h ALA 74 Ca 0.00 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1pyu h ALA 74 Cb 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1pyu h ALA 74 CO 0.00 0.09 0.24 0.00 0.00 0.00 0.00 179.25 179.58 1pyu h ALA 75 N 1.66 1.74 0.00 0.00 0.00 -1.88 -1.61 119.26 119.16 1pyu h ALA 75 Ca 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1pyu h ALA 75 Cb 0.30 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1pyu h ALA 75 CO -0.08 -0.33 0.00 0.00 0.00 0.00 0.00 179.25 178.83 1pyu h ALA 76 N 1.69 1.00 0.00 0.00 0.00 -1.52 0.01 119.26 120.45 1pyu h ALA 76 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1pyu h ALA 76 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1pyu h ALA 76 CO -0.00 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.97 1pyu n HIS 77 N -2.83 0.14 0.37 0.00 8.25 -0.61 -3.80 115.22 116.74 1pyu n HIS 77 Ca -0.02 0.05 0.04 0.00 -0.26 0.00 0.00 57.72 57.52 1pyu n HIS 77 Cb 0.07 -0.58 -0.01 0.00 1.12 0.00 0.00 29.99 30.59 1pyu n HIS 77 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pyu s ALA 79 N -1.31 -1.29 0.30 0.00 0.00 -1.23 -4.81 121.76 113.42 1pyu s ALA 79 Ca 0.06 0.92 0.11 0.00 0.00 0.00 0.00 51.96 53.05 1pyu s ALA 79 Cb 0.06 -0.08 -0.05 0.00 0.00 0.00 0.00 23.12 23.05 1pyu s ALA 79 CO 0.23 -0.31 -0.14 -1.12 0.00 0.00 0.00 175.76 174.42 1pyu s SER 80 N -1.06 3.78 0.19 0.00 0.01 -1.26 -4.75 113.70 110.62 1pyu s SER 80 Ca -0.11 -1.02 -0.33 0.00 1.31 0.00 0.00 55.95 55.81 1pyu s SER 80 Cb -0.03 -0.39 -0.13 0.00 0.21 0.00 0.00 66.02 65.68 1pyu s SER 80 CO 0.06 -0.04 1.62 0.52 0.41 0.00 0.00 173.24 175.82 1pyu n VAL 81 N -0.72 0.14 0.00 3.43 0.31 -1.26 -1.80 118.33 118.44 1pyu n VAL 81 Ca -0.05 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 1pyu n VAL 81 Cb 0.61 -1.74 0.00 0.00 -0.91 0.00 0.00 33.84 31.80 1pyu n VAL 81 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pyu n GLY 82 N 3.45 2.31 3.77 2.92 0.00 -1.26 -5.06 105.19 111.32 1pyu n GLY 82 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 1pyu n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pyu s ASP 83 N -1.37 6.33 -0.17 1.61 1.11 -0.74 -5.00 116.67 118.44 1pyu s ASP 83 Ca 0.00 2.61 -0.16 0.00 0.18 0.00 0.00 52.55 55.18 1pyu s ASP 83 Cb 0.00 -2.63 -0.04 0.00 1.07 0.00 0.00 42.92 41.31 1pyu s ASP 83 CO 0.00 -0.83 0.38 -0.63 1.18 0.00 0.00 175.17 175.27 1pyu s ILE 84 N -1.28 5.24 0.18 0.77 -1.09 -1.26 -4.99 121.20 118.76 1pyu s ILE 84 Ca 0.57 0.70 0.05 0.00 -2.23 0.00 0.00 60.65 59.74 1pyu s ILE 84 Cb -0.37 -3.71 -0.05 0.00 -1.58 0.00 0.00 42.46 36.75 1pyu s ILE 84 CO 0.47 0.32 -0.08 0.68 -1.23 0.00 0.00 174.94 175.10 1pyu s VAL 85 N 0.86 1.22 -0.11 2.92 -7.23 -1.26 -0.58 120.40 116.21 1pyu s VAL 85 Ca 0.20 -2.08 -0.00 0.00 -1.81 0.00 0.00 61.98 58.29 1pyu s VAL 85 Cb -0.14 -2.00 -0.02 0.00 0.56 0.00 0.00 36.38 34.78 1pyu s VAL 85 CO 0.07 -0.62 -0.11 -0.63 -0.31 0.00 0.00 175.10 173.50 1pyu s ILE 86 N -3.30 3.31 -0.15 -0.62 1.01 0.09 -4.93 121.20 116.61 1pyu s ILE 86 Ca 0.20 -0.59 0.01 0.00 0.00 0.00 0.00 60.65 60.28 1pyu s ILE 86 Cb 0.03 -2.38 0.00 0.00 0.01 0.00 0.00 42.46 40.12 1pyu s ILE 86 CO 0.03 0.54 -0.18 -0.63 0.00 0.00 0.00 174.94 174.70 1pyu s ILE 87 N 0.02 2.36 0.04 2.92 1.01 -1.26 -1.08 121.20 125.22 1pyu s ILE 87 Ca -0.03 -0.87 0.03 0.00 0.00 0.00 0.00 60.65 59.78 1pyu s ILE 87 Cb -0.14 -1.97 -0.02 0.00 0.01 0.00 0.00 42.46 40.33 1pyu s ILE 87 CO 0.04 0.53 -0.10 0.00 0.00 0.00 0.00 174.94 175.40 1pyu s ALA 88 N 0.86 0.83 0.20 9.38 0.00 -0.27 -4.98 121.76 127.77 1pyu s ALA 88 Ca -0.05 -0.77 0.10 0.00 0.00 0.00 0.00 51.96 51.24 1pyu s ALA 88 Cb -0.15 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.87 1pyu s ALA 88 CO -0.02 0.09 -0.20 -1.54 0.00 0.00 0.00 175.76 174.09 1pyu s SER 89 N -1.36 3.10 0.04 0.00 1.04 -1.26 -0.63 113.70 114.64 1pyu s SER 89 Ca -0.04 -0.91 0.06 0.00 0.48 0.00 0.00 55.95 55.53 1pyu s SER 89 Cb -0.09 -0.22 -0.02 0.00 0.10 0.00 0.00 66.02 65.79 1pyu s SER 89 CO 0.01 0.02 -0.16 -0.36 0.98 0.00 0.00 173.24 173.73 1pyu s PHE 90 N -2.09 1.40 0.18 5.02 0.40 -1.26 -5.04 117.98 116.60 1pyu s PHE 90 Ca 0.21 -0.36 0.07 0.00 -0.60 0.00 0.00 56.93 56.25 1pyu s PHE 90 Cb -0.06 -0.83 -0.05 0.00 0.51 0.00 0.00 43.02 42.59 1pyu s PHE 90 CO 0.09 0.05 -0.13 0.14 0.70 0.00 0.00 175.22 176.07 1pyu s VAL 91 N -0.84 1.57 0.12 -0.44 -7.23 -1.26 -5.04 120.40 107.29 1pyu s VAL 91 Ca 0.03 -2.14 0.06 0.00 -1.81 0.00 0.00 61.98 58.12 1pyu s VAL 91 Cb -0.08 -1.96 -0.04 0.00 0.56 0.00 0.00 36.38 34.85 1pyu s VAL 91 CO 0.01 -0.62 0.01 0.42 -0.31 0.00 0.00 175.10 174.61 1pyu s THR 92 N -3.00 3.94 0.07 5.32 -4.23 -1.26 -5.12 115.64 111.36 1pyu s THR 92 Ca 0.20 -1.15 -0.26 0.00 -1.18 0.00 0.00 61.69 59.30 1pyu s THR 92 Cb -0.00 -2.92 0.08 0.00 1.34 0.00 0.00 72.50 71.00 1pyu s THR 92 CO 0.05 0.02 0.82 0.00 -0.54 0.00 0.00 174.62 174.97 1pyu s MET 93 N -2.58 1.04 0.68 3.99 0.23 -1.26 -5.14 119.30 116.25 1pyu s MET 93 Ca 0.27 -0.43 -0.16 0.00 -1.03 0.00 0.00 55.69 54.33 1pyu s MET 93 Cb -0.11 0.45 0.01 0.00 -1.53 0.00 0.00 34.83 33.65 1pyu s MET 93 CO 0.19 -0.46 1.21 -2.14 -2.03 0.00 0.00 175.02 171.79 1pyu s PRO 94 N -3.34 2.44 0.25 3.16 0.02 -1.26 -4.73 135.00 131.53 1pyu s PRO 94 Ca 0.05 1.79 -0.06 0.00 0.02 0.00 0.00 61.00 62.81 1pyu s PRO 94 Cb -0.01 -1.87 0.46 0.00 0.02 0.00 0.00 34.50 33.10 1pyu s PRO 94 CO -0.08 -1.61 1.64 0.22 -0.33 0.00 0.00 177.00 176.84 1pyu h ASP 95 N 0.13 -0.27 -0.78 2.53 3.58 -2.01 -1.06 116.42 118.54 1pyu h ASP 95 Ca -0.49 0.19 0.08 0.00 0.42 0.00 0.00 57.03 57.23 1pyu h ASP 95 Cb 1.30 0.32 -0.06 0.00 1.72 0.00 0.00 39.33 42.60 1pyu h ASP 95 CO 0.52 -0.16 0.45 -0.33 -2.88 0.00 0.00 179.24 176.84 1pyu h GLU 96 N 0.13 0.77 -0.10 0.28 3.07 -2.02 -2.08 114.58 114.63 1pyu h GLU 96 Ca 0.42 -0.05 -0.22 0.00 -0.50 0.00 0.00 59.36 59.02 1pyu h GLU 96 Cb 0.76 -0.17 0.01 0.00 -0.84 0.00 0.00 28.75 28.50 1pyu h GLU 96 CO -0.64 0.51 -0.82 0.93 -1.40 0.00 0.00 179.01 177.59 1pyu h GLU 97 N 0.79 0.67 -0.05 2.33 3.07 -1.69 -3.29 114.58 116.40 1pyu h GLU 97 Ca 0.36 -0.58 0.01 0.00 -0.50 0.00 0.00 59.36 58.65 1pyu h GLU 97 Cb 0.26 0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 28.30 1pyu h GLU 97 CO -0.21 1.19 0.04 0.00 -1.40 0.00 0.00 179.01 178.63 1pyu h ALA 98 N 0.63 1.91 0.00 3.43 0.00 -0.60 -2.52 119.26 122.12 1pyu h ALA 98 Ca -0.06 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1pyu h ALA 98 Cb 1.44 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 1pyu h ALA 98 CO 0.16 -0.06 -0.04 0.00 0.00 0.00 0.00 179.25 179.31 1pyu h ARG 99 N 0.00 0.00 -0.01 0.00 3.08 -1.47 -2.76 114.38 113.22 1pyu h ARG 99 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1pyu h ARG 99 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1pyu h ARG 99 CO -0.00 0.04 0.00 0.25 -1.07 0.00 0.00 179.97 179.19 1pyu n THR 100 N -3.79 0.44 -1.72 2.04 -2.24 -0.97 -5.06 114.28 102.98 1pyu n THR 100 Ca -0.03 -0.72 -0.41 0.00 -2.27 0.00 0.00 64.05 60.62 1pyu n THR 100 Cb 0.13 0.79 0.01 0.00 -2.10 0.00 0.00 70.33 69.15 1pyu n THR 100 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 1pyu n TRP 101 N -0.18 2.39 -3.96 4.78 -0.00 -1.05 -5.01 117.44 114.41 1pyu n TRP 101 Ca 0.00 0.50 -0.30 0.00 -0.00 0.00 0.00 57.50 57.70 1pyu n TRP 101 Cb 0.12 -2.42 -0.16 0.00 -0.00 0.00 0.00 31.31 28.85 1pyu n TRP 101 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 177.69 178.19 1pyu s ARG 102 N -2.14 1.87 0.72 5.87 3.52 -1.26 -5.07 118.95 122.45 1pyu s ARG 102 Ca 0.58 -0.71 -0.11 0.00 -0.13 0.00 0.00 55.73 55.36 1pyu s ARG 102 Cb -0.51 -2.25 0.02 0.00 -1.56 0.00 0.00 34.95 30.65 1pyu s ARG 102 CO 0.60 -0.41 1.07 -1.25 -0.81 0.00 0.00 175.30 174.50 1pyu s PRO 103 N 1.48 2.75 -0.38 5.12 0.04 -1.26 -5.03 135.00 137.73 1pyu s PRO 103 Ca -0.00 1.01 -0.18 0.00 0.04 0.00 0.00 61.00 61.87 1pyu s PRO 103 Cb -0.16 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.42 1pyu s PRO 103 CO -0.08 -1.25 0.50 -0.80 0.04 0.00 0.00 177.00 175.41 1pyu s ASN 104 N -3.69 6.27 -0.12 6.66 0.01 -1.26 -5.06 114.94 117.75 1pyu s ASN 104 Ca 0.59 -0.23 0.02 0.00 -0.71 0.00 0.00 52.86 52.53 1pyu s ASN 104 Cb -0.15 -2.26 -0.00 0.00 0.41 0.00 0.00 41.25 39.25 1pyu s ASN 104 CO 0.55 -0.52 -0.20 -0.69 -1.51 0.00 0.00 177.10 174.73 1pyu s VAL 105 N 2.35 2.40 -0.09 1.60 1.01 -1.26 -4.65 120.40 121.75 1pyu s VAL 105 Ca 0.17 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.25 1pyu s VAL 105 Cb -0.16 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 1pyu s VAL 105 CO 0.14 0.54 -0.04 0.00 0.00 0.00 0.00 175.10 175.74 1pyu s ALA 106 N 0.47 3.06 0.00 5.51 0.00 -1.26 -4.95 121.76 124.58 1pyu s ALA 106 Ca -0.13 -0.85 0.04 0.00 0.00 0.00 0.00 51.96 51.02 1pyu s ALA 106 Cb -0.17 -1.37 -0.03 0.00 0.00 0.00 0.00 23.12 21.55 1pyu s ALA 106 CO 0.05 0.48 -0.11 0.71 0.00 0.00 0.00 175.76 176.89 1pyu s TYR 107 N -0.52 2.76 0.06 0.00 2.02 -1.26 -5.07 117.35 115.33 1pyu s TYR 107 Ca 0.08 -0.12 0.07 0.00 -0.37 0.00 0.00 57.07 56.73 1pyu s TYR 107 Cb -0.12 -1.58 -0.03 0.00 -0.40 0.00 0.00 41.96 39.84 1pyu s TYR 107 CO 0.02 0.30 -0.20 -0.06 -1.57 0.00 0.00 175.55 174.04 1pyu s PHE 108 N -0.91 1.70 0.40 2.71 0.40 -1.26 -1.95 117.98 119.06 1pyu s PHE 108 Ca 0.15 -0.38 0.03 0.00 -0.60 0.00 0.00 56.93 56.13 1pyu s PHE 108 Cb -0.11 -0.99 -0.04 0.00 0.51 0.00 0.00 43.02 42.39 1pyu s PHE 108 CO 0.05 0.11 0.09 -1.83 0.70 0.00 0.00 175.22 174.34 1pyu s GLU 109 N -1.34 1.89 0.00 0.44 -1.05 -0.35 -4.96 118.70 113.33 1pyu s GLU 109 Ca 0.06 -2.13 0.00 0.00 -0.15 0.00 0.00 54.97 52.75 1pyu s GLU 109 Cb -0.09 -0.84 0.00 0.00 -0.44 0.00 0.00 34.13 32.76 1pyu s GLU 109 CO 0.02 -0.37 0.00 0.41 0.95 0.00 0.00 175.26 176.27 1pyu n GLY 110 N -0.90 1.99 3.24 -3.83 0.00 -1.26 -2.13 105.19 102.30 1pyu n GLY 110 Ca -0.07 0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1pyu n GLY 110 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1pyu n ASP 111 N 1.22 5.12 -3.21 1.61 2.03 -1.26 -4.66 116.55 117.41 1pyu n ASP 111 Ca 0.00 -3.09 -0.23 0.00 0.52 0.00 0.00 54.79 51.99 1pyu n ASP 111 Cb 0.00 -1.26 0.01 0.00 -0.72 0.00 0.00 41.12 39.15 1pyu n ASP 111 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1pyu n ASN 112 N 2.47 -4.71 -4.53 1.67 3.02 -1.17 -4.96 115.26 107.06 1pyu n ASN 112 Ca 0.23 -0.34 -0.43 0.00 -0.03 0.00 0.00 54.58 54.02 1pyu n ASN 112 Cb 0.38 -3.85 -0.07 0.00 -0.61 0.00 0.00 39.78 35.63 1pyu n ASN 112 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1pyu s GLU 113 N -5.87 3.36 0.05 3.52 8.01 -0.90 -4.89 118.70 121.97 1pyu s GLU 113 Ca 0.36 -0.34 -0.30 0.00 0.01 0.00 0.00 54.97 54.70 1pyu s GLU 113 Cb -0.18 -3.91 -0.05 0.00 -4.31 0.00 0.00 34.13 25.68 1pyu s GLU 113 CO 0.44 -0.90 1.11 1.41 0.01 0.00 0.00 175.26 177.33 1pyu s MET 114 N 2.65 4.50 0.00 1.61 1.75 -1.26 -1.22 119.30 127.33 1pyu s MET 114 Ca 0.21 1.64 0.20 0.00 -1.25 0.00 0.00 55.69 56.49 1pyu s MET 114 Cb -0.15 -3.38 0.16 0.00 2.84 0.00 0.00 34.83 34.31 1pyu s MET 114 CO 0.17 -0.14 1.15 0.36 -0.65 0.00 0.00 175.02 175.90