#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pey s ASN 3 N 0.00 5.30 0.69 7.83 0.02 -1.26 -5.07 114.94 122.44 1pey s ASN 3 Ca 0.00 0.23 -0.16 0.00 -1.02 0.00 0.00 52.86 51.91 1pey s ASN 3 Cb 0.00 -1.13 0.01 0.00 0.02 0.00 0.00 41.25 40.15 1pey s ASN 3 CO 0.00 -1.17 1.18 -1.61 0.02 0.00 0.00 177.10 175.52 1pey s GLU 4 N -4.87 2.47 -0.16 -0.60 8.01 -1.26 -4.62 118.70 117.67 1pey s GLU 4 Ca 0.56 1.67 -0.08 0.00 0.01 0.00 0.00 54.97 57.13 1pey s GLU 4 Cb -0.10 -1.88 -0.04 0.00 -4.31 0.00 0.00 34.13 27.79 1pey s GLU 4 CO 0.41 -1.56 0.11 0.15 0.01 0.00 0.00 175.26 174.38 1pey s LYS 5 N -3.85 3.78 -0.11 1.61 3.01 -1.26 -2.16 119.74 120.76 1pey s LYS 5 Ca 0.73 -0.22 0.02 0.00 -1.01 0.00 0.00 55.97 55.49 1pey s LYS 5 Cb -0.27 -3.25 0.01 0.00 -1.01 0.00 0.00 37.83 33.31 1pey s LYS 5 CO 0.42 0.51 -0.18 0.42 0.51 0.00 0.00 175.35 177.02 1pey s ILE 6 N -0.25 1.71 -0.19 2.17 1.01 -0.35 -0.90 121.20 124.39 1pey s ILE 6 Ca 0.10 -0.78 -0.08 0.00 0.00 0.00 0.00 60.65 59.89 1pey s ILE 6 Cb -0.12 -1.53 -0.04 0.00 0.01 0.00 0.00 42.46 40.78 1pey s ILE 6 CO 0.01 0.48 0.08 -0.22 0.00 0.00 0.00 174.94 175.29 1pey s LEU 7 N 0.79 3.89 -0.27 2.97 2.96 0.15 -1.31 118.68 127.85 1pey s LEU 7 Ca -0.10 0.10 -0.05 0.00 -0.22 0.00 0.00 54.13 53.86 1pey s LEU 7 Cb -0.16 -2.00 0.01 0.00 0.50 0.00 0.00 46.19 44.54 1pey s LEU 7 CO 0.01 0.16 0.03 -0.63 -1.32 0.00 0.00 176.35 174.60 1pey s ILE 8 N 0.48 3.66 -0.25 6.68 1.01 0.50 -0.70 121.20 132.58 1pey s ILE 8 Ca 0.04 -0.69 -0.03 0.00 0.00 0.00 0.00 60.65 59.97 1pey s ILE 8 Cb -0.12 -2.83 0.01 0.00 0.01 0.00 0.00 42.46 39.52 1pey s ILE 8 CO 0.00 0.18 -0.03 -0.69 0.00 0.00 0.00 174.94 174.41 1pey s VAL 9 N 1.47 3.26 -0.25 2.92 1.01 -0.13 -0.71 120.40 127.97 1pey s VAL 9 Ca 0.03 -0.77 -0.26 0.00 0.00 0.00 0.00 61.98 60.98 1pey s VAL 9 Cb -0.16 -2.60 0.10 0.00 0.00 0.00 0.00 36.38 33.71 1pey s VAL 9 CO 0.00 0.26 0.87 -0.62 0.00 0.00 0.00 175.10 175.61 1pey s ASP 10 N 1.42 -0.59 0.31 3.32 -1.08 -0.33 -0.75 116.67 118.96 1pey s ASP 10 Ca 0.03 1.09 0.23 0.00 -0.52 0.00 0.00 52.55 53.37 1pey s ASP 10 Cb -0.16 1.08 0.24 0.00 -1.46 0.00 0.00 42.92 42.62 1pey s ASP 10 CO -0.03 -0.24 1.38 -2.24 0.52 0.00 0.00 175.17 174.56 1pey h ASP 11 N 4.36 0.00 -3.46 -0.34 2.03 -1.82 -3.36 116.42 113.83 1pey h ASP 11 Ca -0.28 -0.02 -0.61 0.00 -0.73 0.00 0.00 57.03 55.40 1pey h ASP 11 Cb 1.17 0.00 -0.11 0.00 -0.83 0.00 0.00 39.33 39.55 1pey h ASP 11 CO 0.12 0.01 0.55 -1.10 -1.03 0.00 0.00 179.24 177.78 1pey s GLN 12 N -3.26 3.43 0.29 4.15 -0.21 -1.26 -4.93 119.66 117.87 1pey s GLN 12 Ca 0.04 -0.05 0.03 0.00 0.02 0.00 0.00 55.36 55.40 1pey s GLN 12 Cb 0.08 -3.98 0.69 0.00 1.00 0.00 0.00 33.01 30.80 1pey s GLN 12 CO 0.72 -1.32 1.71 1.03 -2.12 0.00 0.00 175.29 175.31 1pey h SER 13 N 9.17 0.39 0.27 5.90 0.87 -1.99 -1.49 113.55 126.66 1pey h SER 13 Ca -0.25 0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.44 1pey h SER 13 Cb 1.08 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1pey h SER 13 CO 1.05 0.05 -0.13 1.23 -0.53 0.00 0.00 176.83 178.50 1pey h GLY 14 N 0.46 -0.37 1.30 5.77 0.00 -1.98 -2.05 103.07 106.20 1pey h GLY 14 Ca 0.54 0.14 -0.04 0.00 0.00 0.00 0.00 47.33 47.97 1pey h GLY 14 CO -0.49 -0.14 0.20 1.19 0.00 0.00 0.00 176.54 177.30 1pey h ILE 15 N -0.66 1.22 -0.14 2.60 6.09 -1.95 -1.47 117.51 123.21 1pey h ILE 15 Ca -0.04 -0.75 -0.01 0.00 -1.37 0.00 0.00 64.86 62.69 1pey h ILE 15 Cb 0.46 0.56 -0.01 0.00 0.47 0.00 0.00 36.82 38.30 1pey h ILE 15 CO 0.06 0.29 0.05 -0.09 -3.07 0.00 0.00 178.15 175.39 1pey h ARG 16 N 0.87 0.22 -0.18 2.19 2.43 -1.29 -1.51 114.38 117.11 1pey h ARG 16 Ca 0.20 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.27 1pey h ARG 16 Cb 0.23 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1pey h ARG 16 CO -0.01 0.34 -0.12 0.82 -1.51 0.00 0.00 179.97 179.49 1pey h ILE 17 N 0.06 1.19 -0.07 1.20 2.04 -1.15 -1.18 117.51 119.59 1pey h ILE 17 Ca 0.05 -0.81 -0.01 0.00 1.00 0.00 0.00 64.86 65.08 1pey h ILE 17 Cb 0.21 1.19 -0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1pey h ILE 17 CO -0.00 0.26 0.00 0.25 0.00 0.00 0.00 178.15 178.66 1pey h LEU 18 N 0.27 0.12 -1.14 1.44 6.46 -0.94 -1.31 115.31 120.21 1pey h LEU 18 Ca 0.05 -0.31 -0.03 0.00 -0.12 0.00 0.00 57.88 57.48 1pey h LEU 18 Cb 0.39 -0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.26 1pey h LEU 18 CO 0.02 0.40 0.23 -0.07 -0.62 0.00 0.00 178.44 178.40 1pey h LEU 19 N -0.16 0.76 -0.14 2.25 3.38 -1.08 -0.26 115.31 120.06 1pey h LEU 19 Ca 0.02 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.90 1pey h LEU 19 Cb 0.33 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1pey h LEU 19 CO 0.00 0.69 0.06 -1.13 0.09 0.00 0.00 178.44 178.15 1pey h ASN 20 N 0.83 0.09 -0.61 -0.43 -1.24 -1.00 -1.74 115.58 111.48 1pey h ASN 20 Ca 0.20 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.21 1pey h ASN 20 Cb 0.17 -0.01 -0.03 0.00 0.73 0.00 0.00 38.32 39.18 1pey h ASN 20 CO -0.02 0.07 0.38 -0.08 -1.29 0.00 0.00 177.43 176.50 1pey h GLU 21 N 0.14 0.82 -0.11 6.67 4.22 -0.75 0.91 114.58 126.49 1pey h GLU 21 Ca 0.05 -0.07 0.04 0.00 0.08 0.00 0.00 59.36 59.46 1pey h GLU 21 Cb 0.01 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.05 1pey h GLU 21 CO -0.04 0.57 -0.12 0.28 -2.18 0.00 0.00 179.01 177.52 1pey h VAL 22 N 0.83 0.66 0.00 0.32 2.07 -0.53 -0.32 116.25 119.27 1pey h VAL 22 Ca 0.22 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.64 1pey h VAL 22 Cb -0.05 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1pey h VAL 22 CO -0.04 0.00 -0.46 -0.26 0.02 0.00 0.00 177.57 176.82 1pey h PHE 23 N -0.16 0.00 -0.43 1.57 0.04 -1.22 -3.12 116.94 113.62 1pey h PHE 23 Ca 0.08 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.75 1pey h PHE 23 Cb 0.27 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.41 1pey h PHE 23 CO -0.23 0.46 -0.13 -0.97 -0.60 0.00 0.00 178.31 176.84 1pey h ASN 24 N 0.00 0.77 0.46 2.17 -1.24 -0.43 -2.04 115.58 115.26 1pey h ASN 24 Ca -0.00 -0.24 0.00 0.00 0.71 0.00 0.00 56.30 56.77 1pey h ASN 24 Cb 1.31 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 40.16 1pey h ASN 24 CO 0.06 0.91 0.00 0.29 -1.29 0.00 0.00 177.43 177.40 1pey n LYS 25 N -4.16 0.46 0.04 6.67 4.76 -0.16 -2.70 118.16 123.07 1pey n LYS 25 Ca 0.01 0.02 0.11 0.00 -2.87 0.00 0.00 58.31 55.59 1pey n LYS 25 Cb 0.38 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.07 1pey n LYS 25 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1pey n GLU 26 N -1.25 0.39 0.00 1.97 -0.58 -0.79 -4.97 120.64 115.41 1pey n GLU 26 Ca 0.14 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.88 1pey n GLU 26 Cb 0.21 -1.63 0.00 0.00 -0.57 0.00 0.00 31.44 29.44 1pey n GLU 26 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pey n GLY 27 N 1.32 1.03 3.82 0.62 0.00 -1.10 -5.08 105.19 105.81 1pey n GLY 27 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 1pey n GLY 27 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pey s TYR 28 N -2.00 3.36 -0.25 1.61 2.02 -1.04 -4.72 117.35 116.33 1pey s TYR 28 Ca 0.00 1.56 -0.27 0.00 -0.37 0.00 0.00 57.07 57.99 1pey s TYR 28 Cb 0.00 -2.80 0.00 0.00 -0.40 0.00 0.00 41.96 38.76 1pey s TYR 28 CO 0.00 -0.04 0.93 -0.65 -1.57 0.00 0.00 175.55 174.22 1pey s GLN 29 N -3.03 4.18 0.15 -0.62 -0.21 -0.92 -4.43 119.66 114.78 1pey s GLN 29 Ca 0.59 1.08 0.06 0.00 0.02 0.00 0.00 55.36 57.12 1pey s GLN 29 Cb -0.10 -3.66 -0.04 0.00 1.00 0.00 0.00 33.01 30.21 1pey s GLN 29 CO 0.15 -0.62 0.05 0.95 -2.12 0.00 0.00 175.29 173.70 1pey s THR 30 N 3.08 4.09 0.03 -0.19 -4.23 -1.26 -1.21 115.64 115.96 1pey s THR 30 Ca 0.39 -1.20 0.01 0.00 -1.18 0.00 0.00 61.69 59.72 1pey s THR 30 Cb -0.15 -3.05 -0.02 0.00 1.34 0.00 0.00 72.50 70.62 1pey s THR 30 CO 0.08 -0.06 -0.05 -0.36 -0.54 0.00 0.00 174.62 173.69 1pey s PHE 31 N -1.66 0.47 0.05 3.99 0.40 -0.43 -4.94 117.98 115.86 1pey s PHE 31 Ca 0.29 -0.57 0.06 0.00 -0.60 0.00 0.00 56.93 56.11 1pey s PHE 31 Cb -0.10 -0.30 -0.02 0.00 0.51 0.00 0.00 43.02 43.10 1pey s PHE 31 CO 0.20 -0.16 -0.18 -0.65 0.70 0.00 0.00 175.22 175.14 1pey s GLN 32 N -1.76 1.20 -0.05 0.44 -0.21 -1.26 -0.37 119.66 117.65 1pey s GLN 32 Ca -0.11 -0.89 -0.05 0.00 0.02 0.00 0.00 55.36 54.33 1pey s GLN 32 Cb -0.08 -1.29 0.02 0.00 1.00 0.00 0.00 33.01 32.66 1pey s GLN 32 CO -0.01 0.32 0.15 0.00 -2.12 0.00 0.00 175.29 173.63 1pey s ALA 33 N -0.84 -0.36 -1.49 6.09 0.00 0.11 -4.93 121.76 120.34 1pey s ALA 33 Ca 0.05 0.42 0.19 0.00 0.00 0.00 0.00 51.96 52.62 1pey s ALA 33 Cb -0.09 -0.25 -0.06 0.00 0.00 0.00 0.00 23.12 22.73 1pey s ALA 33 CO 0.02 -0.07 0.91 0.00 0.00 0.00 0.00 175.76 176.62 1pey n ALA 34 N 3.05 3.64 -3.57 0.00 0.00 -1.26 -1.19 120.51 121.18 1pey n ALA 34 Ca -0.13 -0.57 -0.10 0.00 0.00 0.00 0.00 53.44 52.65 1pey n ALA 34 Cb 0.59 -0.67 -0.01 0.00 0.00 0.00 0.00 19.45 19.36 1pey n ALA 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1pey s ASN 35 N -2.32 0.11 0.26 0.00 2.20 -1.26 -4.05 114.94 109.87 1pey s ASN 35 Ca 0.13 -1.07 -0.01 0.00 -0.94 0.00 0.00 52.86 50.97 1pey s ASN 35 Cb 0.15 0.76 0.34 0.00 -2.00 0.00 0.00 41.25 40.50 1pey s ASN 35 CO 0.56 -1.48 1.74 1.23 -2.94 0.00 0.00 177.10 176.21 1pey h GLY 36 N 2.05 0.76 1.81 0.45 0.00 -1.96 -2.48 103.07 103.70 1pey h GLY 36 Ca -0.28 -0.55 -0.23 0.00 0.00 0.00 0.00 47.33 46.27 1pey h GLY 36 CO 0.36 0.50 -1.13 -2.00 0.00 0.00 0.00 176.54 174.27 1pey h LEU 37 N 0.64 0.08 -1.14 3.11 6.46 -1.99 0.50 115.31 122.99 1pey h LEU 37 Ca 0.12 -0.10 -0.01 0.00 -0.12 0.00 0.00 57.88 57.77 1pey h LEU 37 Cb 0.54 -0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 40.40 1pey h LEU 37 CO 0.03 1.08 0.46 1.56 -0.62 0.00 0.00 178.44 180.95 1pey h GLN 38 N 0.01 1.05 0.15 1.25 4.20 -1.97 -1.07 115.11 118.73 1pey h GLN 38 Ca -0.07 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 1pey h GLN 38 Cb 1.84 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 29.40 1pey h GLN 38 CO 0.14 0.74 -0.07 0.00 -0.67 0.00 0.00 178.83 178.97 1pey h ALA 39 N 1.44 -0.20 -0.40 3.87 0.00 -1.30 -0.15 119.26 122.52 1pey h ALA 39 Ca 0.28 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1pey h ALA 39 Cb -0.03 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1pey h ALA 39 CO -0.05 -0.52 0.24 -0.07 0.00 0.00 0.00 179.25 178.85 1pey h LEU 40 N -0.38 0.47 0.02 0.00 3.38 -0.71 0.18 115.31 118.26 1pey h LEU 40 Ca -0.02 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1pey h LEU 40 Cb 0.30 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1pey h LEU 40 CO 0.03 0.36 -0.01 0.44 0.09 0.00 0.00 178.44 179.36 1pey h ASP 41 N 0.54 -0.02 -0.48 -0.43 3.32 -0.96 -0.97 116.42 117.42 1pey h ASP 41 Ca 0.14 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 1pey h ASP 41 Cb -0.02 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 1pey h ASP 41 CO -0.03 0.22 0.26 0.40 -1.72 0.00 0.00 179.24 178.38 1pey h ILE 42 N -0.27 1.17 -0.27 0.35 2.04 -0.45 -0.65 117.51 119.43 1pey h ILE 42 Ca -0.00 -0.44 -0.02 0.00 1.00 0.00 0.00 64.86 65.39 1pey h ILE 42 Cb 0.26 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1pey h ILE 42 CO 0.00 0.19 0.08 0.58 0.00 0.00 0.00 178.15 179.00 1pey h VAL 43 N 0.71 1.21 0.21 1.67 2.07 -0.76 0.26 116.25 121.62 1pey h VAL 43 Ca 0.18 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1pey h VAL 43 Cb 0.05 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1pey h VAL 43 CO -0.03 0.22 -0.21 0.74 0.02 0.00 0.00 177.57 178.31 1pey h THR 44 N 0.27 0.55 -0.09 2.57 2.02 -0.43 0.21 112.91 118.01 1pey h THR 44 Ca 0.09 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.14 1pey h THR 44 Cb 0.26 0.55 0.01 0.00 -1.74 0.00 0.00 68.15 67.23 1pey h THR 44 CO -0.00 0.00 -0.44 0.50 0.37 0.00 0.00 175.52 175.95 1pey h LYS 45 N -0.45 0.45 0.00 6.66 3.64 -1.11 -3.38 116.57 122.38 1pey h LYS 45 Ca -0.00 -0.37 -0.28 0.00 -1.27 0.00 0.00 60.65 58.73 1pey h LYS 45 Cb 0.42 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.27 1pey h LYS 45 CO -0.05 1.01 -2.13 0.39 -2.27 0.00 0.00 179.45 176.40 1pey n GLU 46 N -4.30 0.67 -3.41 1.90 -0.58 0.92 -5.03 120.64 110.81 1pey n GLU 46 Ca -0.08 0.02 -0.16 0.00 -0.42 0.00 0.00 57.16 56.52 1pey n GLU 46 Cb 0.57 -1.59 0.02 0.00 -0.57 0.00 0.00 31.44 29.87 1pey n GLU 46 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1pey n ARG 47 N -2.72 -1.45 -1.22 3.49 1.74 0.73 -4.93 116.66 112.30 1pey n ARG 47 Ca -0.24 0.99 -0.32 0.00 -0.77 0.00 0.00 57.85 57.51 1pey n ARG 47 Cb 1.01 -4.58 0.10 0.00 -1.02 0.00 0.00 32.46 27.98 1pey n ARG 47 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 1pey s PRO 48 N -4.38 2.01 0.06 5.56 0.02 -1.26 -4.96 135.00 132.05 1pey s PRO 48 Ca 0.18 1.39 0.05 0.00 0.02 0.00 0.00 61.00 62.64 1pey s PRO 48 Cb -0.05 -1.85 -0.23 0.00 0.02 0.00 0.00 34.50 32.38 1pey s PRO 48 CO 0.81 -1.86 1.06 -0.44 -0.33 0.00 0.00 177.00 176.24 1pey h ASP 49 N -1.01 0.12 -4.35 2.53 5.19 -1.38 -3.43 116.42 114.09 1pey h ASP 49 Ca -0.44 -0.15 -0.19 0.00 -0.62 0.00 0.00 57.03 55.62 1pey h ASP 49 Cb 1.25 -0.04 -0.24 0.00 0.18 0.00 0.00 39.33 40.48 1pey h ASP 49 CO 0.49 1.12 -0.68 -0.22 -3.12 0.00 0.00 179.24 176.84 1pey s LEU 50 N -6.69 2.01 -0.04 1.55 2.96 -1.06 -1.39 118.68 116.03 1pey s LEU 50 Ca -0.03 -0.19 0.04 0.00 -0.22 0.00 0.00 54.13 53.73 1pey s LEU 50 Cb 0.09 0.14 -0.00 0.00 0.50 0.00 0.00 46.19 46.92 1pey s LEU 50 CO 0.83 -0.16 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.86 1pey s VAL 51 N -0.70 1.33 -0.45 1.68 1.01 0.62 -0.68 120.40 123.22 1pey s VAL 51 Ca -0.08 -0.66 -0.11 0.00 0.00 0.00 0.00 61.98 61.13 1pey s VAL 51 Cb -0.05 -1.15 0.09 0.00 0.00 0.00 0.00 36.38 35.26 1pey s VAL 51 CO -0.00 0.39 0.32 -0.76 0.00 0.00 0.00 175.10 175.05 1pey s LEU 52 N 0.09 5.42 -0.40 3.92 2.01 0.12 -0.93 118.68 128.92 1pey s LEU 52 Ca -0.04 -1.52 -0.13 0.00 0.01 0.00 0.00 54.13 52.45 1pey s LEU 52 Cb -0.11 -2.06 0.03 0.00 0.01 0.00 0.00 46.19 44.06 1pey s LEU 52 CO 0.02 -0.61 0.25 -0.22 1.01 0.00 0.00 176.35 176.81 1pey s LEU 53 N 1.49 4.94 -0.23 1.79 2.96 -0.26 -0.96 118.68 128.43 1pey s LEU 53 Ca 0.04 -1.01 -0.29 0.00 -0.22 0.00 0.00 54.13 52.65 1pey s LEU 53 Cb -0.24 -2.08 -0.02 0.00 0.50 0.00 0.00 46.19 44.34 1pey s LEU 53 CO 0.03 -0.43 1.60 -0.62 -1.32 0.00 0.00 176.35 175.60 1pey s ASP 54 N 1.68 6.40 0.00 3.68 2.15 0.07 -0.37 116.67 130.28 1pey s ASP 54 Ca 0.03 1.59 0.26 0.00 0.43 0.00 0.00 52.55 54.87 1pey s ASP 54 Cb -0.20 -2.53 1.31 0.00 -0.30 0.00 0.00 42.92 41.20 1pey s ASP 54 CO 0.08 -1.25 1.89 0.23 -0.17 0.00 0.00 175.17 175.95 1pey n MET 55 N 7.64 0.34 -3.75 4.34 2.81 0.01 -4.32 117.12 124.19 1pey n MET 55 Ca 0.18 0.04 -0.28 0.00 -1.81 0.00 0.00 57.70 55.84 1pey n MET 55 Cb 0.45 -1.50 -0.11 0.00 -0.71 0.00 0.00 33.22 31.35 1pey n MET 55 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1pey n LYS 56 N -1.31 1.80 -4.08 0.03 4.76 -1.26 -4.41 118.16 113.69 1pey n LYS 56 Ca 0.12 -4.39 -0.33 0.00 -2.87 0.00 0.00 58.31 50.84 1pey n LYS 56 Cb 0.22 -2.21 -0.16 0.00 -1.84 0.00 0.00 35.03 31.05 1pey n LYS 56 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1pey s ILE 57 N -1.53 2.23 -0.13 -0.18 1.01 -1.26 -4.86 121.20 116.48 1pey s ILE 57 Ca 0.29 -1.03 -0.40 0.00 0.00 0.00 0.00 60.65 59.51 1pey s ILE 57 Cb 0.01 -2.02 -0.17 0.00 0.01 0.00 0.00 42.46 40.28 1pey s ILE 57 CO -0.14 0.41 1.47 -2.65 0.00 0.00 0.00 174.94 174.03 1pey n PRO 58 N 4.61 0.82 -0.20 2.79 -0.02 -1.26 -0.27 135.00 141.47 1pey n PRO 58 Ca -0.19 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1pey n PRO 58 Cb 0.49 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 1pey n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pey n GLY 59 N 3.14 1.76 3.47 -1.23 0.00 -1.26 -5.02 105.19 106.05 1pey n GLY 59 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 1pey n GLY 59 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1pey s MET 60 N -0.29 3.44 -0.59 1.61 0.00 0.63 -5.04 119.30 119.06 1pey s MET 60 Ca 0.00 -0.58 -0.19 0.00 0.00 0.00 0.00 55.69 54.92 1pey s MET 60 Cb 0.00 -2.77 0.10 0.00 0.00 0.00 0.00 34.83 32.16 1pey s MET 60 CO 0.00 0.30 0.69 0.34 0.00 0.00 0.00 175.02 176.35 1pey s ASP 61 N 0.18 6.18 0.27 1.11 -1.08 -1.26 -4.49 116.67 117.58 1pey s ASP 61 Ca -0.04 -1.43 -0.00 0.00 -0.52 0.00 0.00 52.55 50.55 1pey s ASP 61 Cb -0.14 -2.30 0.57 0.00 -1.46 0.00 0.00 42.92 39.59 1pey s ASP 61 CO 0.04 -1.10 1.74 1.23 0.52 0.00 0.00 175.17 177.60 1pey h GLY 62 N 9.92 1.37 0.98 2.66 0.00 -1.90 -2.28 103.07 113.81 1pey h GLY 62 Ca -0.29 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 46.81 1pey h GLY 62 CO 1.09 -0.11 0.25 -2.22 0.00 0.00 0.00 176.54 175.56 1pey h ILE 63 N 0.52 1.20 -0.35 2.60 1.08 -1.92 -2.18 117.51 118.47 1pey h ILE 63 Ca 0.48 -0.56 -0.02 0.00 -0.39 0.00 0.00 64.86 64.36 1pey h ILE 63 Cb 0.76 0.59 -0.02 0.00 -3.07 0.00 0.00 36.82 35.08 1pey h ILE 63 CO -0.42 0.22 0.13 -0.08 -0.69 0.00 0.00 178.15 177.31 1pey h GLU 64 N 0.71 0.53 -0.39 2.37 4.57 -1.87 -1.54 114.58 118.96 1pey h GLU 64 Ca 0.18 -0.10 0.06 0.00 -1.18 0.00 0.00 59.36 58.32 1pey h GLU 64 Cb 0.12 -0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 28.57 1pey h GLU 64 CO -0.02 0.53 0.07 0.82 -1.18 0.00 0.00 179.01 179.23 1pey h ILE 65 N 0.41 0.80 -0.33 2.32 1.08 -1.31 0.15 117.51 120.62 1pey h ILE 65 Ca 0.11 -0.07 0.05 0.00 -0.39 0.00 0.00 64.86 64.57 1pey h ILE 65 Cb 0.21 0.58 -0.05 0.00 -3.07 0.00 0.00 36.82 34.49 1pey h ILE 65 CO -0.01 0.04 0.05 0.25 -0.69 0.00 0.00 178.15 177.79 1pey h LEU 66 N 0.20 -0.03 0.10 1.44 5.85 -1.18 0.35 115.31 122.04 1pey h LEU 66 Ca 0.19 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.99 1pey h LEU 66 Cb 0.22 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 1pey h LEU 66 CO -0.25 0.02 -0.25 0.50 -0.34 0.00 0.00 178.44 178.12 1pey h LYS 67 N 0.16 -0.43 -0.30 1.25 3.64 -0.32 -1.04 116.57 119.52 1pey h LYS 67 Ca 0.16 0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.63 1pey h LYS 67 Cb 0.19 0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.06 1pey h LYS 67 CO -0.23 -0.29 -0.04 0.00 -2.27 0.00 0.00 179.45 176.63 1pey h ARG 68 N -0.45 0.04 -0.77 1.90 2.47 0.01 -1.54 114.38 116.04 1pey h ARG 68 Ca 0.03 -0.00 0.12 0.00 -1.26 0.00 0.00 59.98 58.87 1pey h ARG 68 Cb 0.48 -0.01 -0.08 0.00 -1.65 0.00 0.00 29.97 28.71 1pey h ARG 68 CO -0.16 0.03 0.38 0.52 0.56 0.00 0.00 179.97 181.30 1pey h MET 69 N 0.04 0.58 -0.16 0.04 2.86 0.05 -0.07 114.93 118.28 1pey h MET 69 Ca 0.15 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.69 1pey h MET 69 Cb 0.21 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 1pey h MET 69 CO -0.28 0.38 -0.19 0.87 1.06 0.00 0.00 176.91 178.75 1pey h LYS 70 N 0.59 0.27 0.28 1.72 1.79 -0.38 -0.69 116.57 120.16 1pey h LYS 70 Ca 0.40 -0.08 -0.01 0.00 -2.18 0.00 0.00 60.65 58.78 1pey h LYS 70 Cb 0.50 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 1pey h LYS 70 CO -0.32 0.47 -0.13 0.28 -1.08 0.00 0.00 179.45 178.66 1pey h VAL 71 N 0.25 0.58 -0.94 0.50 2.07 -0.15 -2.44 116.25 116.12 1pey h VAL 71 Ca 0.05 -0.83 0.17 0.00 0.82 0.00 0.00 66.70 66.91 1pey h VAL 71 Cb 0.49 0.93 -0.10 0.00 -1.52 0.00 0.00 31.29 31.09 1pey h VAL 71 CO 0.03 0.13 0.53 0.40 0.02 0.00 0.00 177.57 178.68 1pey h ILE 72 N -0.92 0.70 -2.26 4.57 2.04 -1.00 -3.35 117.51 117.30 1pey h ILE 72 Ca -0.04 -0.24 -0.46 0.00 1.00 0.00 0.00 64.86 65.13 1pey h ILE 72 Cb 0.51 -0.05 -0.35 0.00 -0.74 0.00 0.00 36.82 36.19 1pey h ILE 72 CO 0.06 0.13 -0.75 -0.62 0.00 0.00 0.00 178.15 176.96 1pey s ASP 73 N -5.41 2.05 0.56 1.72 2.15 -0.27 -5.01 116.67 112.46 1pey s ASP 73 Ca -0.12 -1.75 0.37 0.00 0.43 0.00 0.00 52.55 51.48 1pey s ASP 73 Cb 0.24 0.13 1.93 0.00 -0.30 0.00 0.00 42.92 44.92 1pey s ASP 73 CO 0.79 -0.30 2.13 1.05 -0.17 0.00 0.00 175.17 178.68 1pey h GLU 74 N 7.19 0.00 -0.00 4.34 4.11 -1.58 -1.43 114.58 127.21 1pey h GLU 74 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.46 1pey h GLU 74 Cb 1.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1pey h GLU 74 CO 0.25 0.00 -0.21 0.09 0.07 0.00 0.00 179.01 179.20 1pey n ASN 75 N -2.86 0.24 -4.76 3.06 3.02 -1.26 -4.92 115.26 107.77 1pey n ASN 75 Ca -0.02 0.11 -0.39 0.00 -0.03 0.00 0.00 54.58 54.26 1pey n ASN 75 Cb 0.11 -0.16 0.02 0.00 -0.61 0.00 0.00 39.78 39.14 1pey n ASN 75 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1pey s ILE 76 N -2.96 2.25 -0.01 2.41 2.07 -0.54 -4.99 121.20 119.42 1pey s ILE 76 Ca 0.14 0.20 0.05 0.00 -1.41 0.00 0.00 60.65 59.62 1pey s ILE 76 Cb 0.18 -3.11 -0.03 0.00 0.13 0.00 0.00 42.46 39.64 1pey s ILE 76 CO 0.59 0.01 -0.15 -0.13 -1.91 0.00 0.00 174.94 173.36 1pey s ARG 77 N -2.69 2.37 0.01 3.50 0.52 -0.48 -4.99 118.95 117.18 1pey s ARG 77 Ca 0.66 -0.79 0.03 0.00 -0.52 0.00 0.00 55.73 55.11 1pey s ARG 77 Cb -0.40 -2.33 -0.01 0.00 0.52 0.00 0.00 34.95 32.73 1pey s ARG 77 CO 0.49 0.59 -0.09 0.08 0.02 0.00 0.00 175.30 176.39 1pey s VAL 78 N -0.83 0.68 -0.12 3.52 1.01 -1.26 -0.28 120.40 123.12 1pey s VAL 78 Ca 0.13 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.61 1pey s VAL 78 Cb -0.11 -0.60 0.02 0.00 0.00 0.00 0.00 36.38 35.69 1pey s VAL 78 CO 0.03 0.09 -0.16 -0.63 0.00 0.00 0.00 175.10 174.42 1pey s ILE 79 N -0.42 1.61 0.13 2.22 1.01 -0.11 0.17 121.20 125.81 1pey s ILE 79 Ca 0.01 -0.70 -0.05 0.00 0.00 0.00 0.00 60.65 59.91 1pey s ILE 79 Cb -0.05 -1.47 -0.06 0.00 0.01 0.00 0.00 42.46 40.90 1pey s ILE 79 CO -0.00 0.46 0.37 0.27 0.00 0.00 0.00 174.94 176.04 1pey s ILE 80 N 1.05 5.17 -0.14 2.92 -4.36 -1.01 -1.10 121.20 123.74 1pey s ILE 80 Ca -0.04 0.05 0.01 0.00 -0.26 0.00 0.00 60.65 60.41 1pey s ILE 80 Cb -0.15 -3.62 -0.00 0.00 1.25 0.00 0.00 42.46 39.94 1pey s ILE 80 CO -0.03 0.07 -0.17 -0.04 0.24 0.00 0.00 174.94 175.00 1pey s MET 81 N -2.57 3.19 0.41 0.37 -1.94 0.50 -1.21 119.30 118.06 1pey s MET 81 Ca 0.40 -0.78 0.07 0.00 -1.71 0.00 0.00 55.69 53.68 1pey s MET 81 Cb -0.12 -2.54 -0.05 0.00 2.01 0.00 0.00 34.83 34.13 1pey s MET 81 CO 0.24 0.09 0.20 0.95 -0.01 0.00 0.00 175.02 176.49 1pey s THR 82 N 0.62 2.34 0.48 2.05 -4.23 0.19 -0.81 115.64 116.28 1pey s THR 82 Ca -0.09 -1.66 -0.12 0.00 -1.18 0.00 0.00 61.69 58.64 1pey s THR 82 Cb -0.16 -3.00 -0.06 0.00 1.34 0.00 0.00 72.50 70.62 1pey s THR 82 CO 0.03 0.00 0.88 0.00 -0.54 0.00 0.00 174.62 174.99 1pey s ALA 83 N -2.59 3.22 -1.00 3.99 0.00 -1.26 -0.18 121.76 123.94 1pey s ALA 83 Ca 0.42 -0.09 -0.24 0.00 0.00 0.00 0.00 51.96 52.05 1pey s ALA 83 Cb 0.03 -2.89 -0.07 0.00 0.00 0.00 0.00 23.12 20.20 1pey s ALA 83 CO 0.23 -0.22 1.97 -0.47 0.00 0.00 0.00 175.76 177.26 1pey s TYR 84 N -2.62 1.81 -0.57 0.00 5.04 -1.20 -4.59 117.35 115.23 1pey s TYR 84 Ca 0.54 0.68 0.00 0.00 -2.44 0.00 0.00 57.07 55.85 1pey s TYR 84 Cb -0.10 -3.98 0.00 0.00 0.35 0.00 0.00 41.96 38.23 1pey s TYR 84 CO 0.36 -1.51 0.00 0.41 -1.34 0.00 0.00 175.55 173.47 1pey n GLY 85 N 6.46 -0.68 0.00 8.97 0.00 -1.26 -5.07 105.19 113.61 1pey n GLY 85 Ca 0.42 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1pey n GLY 85 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1pey n GLU 86 N 0.00 0.00 -0.13 1.61 0.00 -1.26 -5.01 120.64 115.85 1pey n GLU 86 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 57.16 57.11 1pey n GLU 86 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 31.44 31.40 1pey n GLU 86 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1pey h LEU 87 N 1.88 -0.84 -0.68 4.31 6.46 -2.02 -1.55 115.31 122.86 1pey h LEU 87 Ca 0.00 0.12 -0.11 0.00 -0.12 0.00 0.00 57.88 57.77 1pey h LEU 87 Cb 0.00 0.36 -0.02 0.00 -0.73 0.00 0.00 40.66 40.28 1pey h LEU 87 CO 0.00 -0.12 -0.13 0.44 -0.62 0.00 0.00 178.44 178.00 1pey h ASP 88 N -0.07 0.88 -0.53 1.25 3.32 -2.00 -2.25 116.42 117.03 1pey h ASP 88 Ca 0.05 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 56.81 1pey h ASP 88 Cb 0.20 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 1pey h ASP 88 CO -0.33 1.02 0.33 -0.03 -1.72 0.00 0.00 179.24 178.51 1pey h MET 89 N 0.79 0.71 -0.64 3.56 4.05 -1.89 -1.32 114.93 120.18 1pey h MET 89 Ca 0.12 -0.05 -0.03 0.00 -0.28 0.00 0.00 59.70 59.46 1pey h MET 89 Cb 0.66 -0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 31.28 1pey h MET 89 CO 0.05 0.49 0.29 0.82 0.23 0.00 0.00 176.91 178.79 1pey h ILE 90 N 0.71 1.23 -0.42 1.77 2.04 -1.16 0.12 117.51 121.80 1pey h ILE 90 Ca 0.19 -0.67 -0.09 0.00 1.00 0.00 0.00 64.86 65.30 1pey h ILE 90 Cb -0.04 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 1pey h ILE 90 CO -0.04 0.27 -0.09 -0.61 0.00 0.00 0.00 178.15 177.68 1pey h GLN 91 N 0.89 0.73 -0.30 2.37 5.75 -1.08 -1.52 115.11 121.95 1pey h GLN 91 Ca 0.22 -0.23 -0.12 0.00 -0.15 0.00 0.00 58.65 58.37 1pey h GLN 91 Cb 0.15 -0.07 -0.00 0.00 1.07 0.00 0.00 27.48 28.63 1pey h GLN 91 CO -0.02 0.81 -0.29 0.93 -2.65 0.00 0.00 178.83 177.60 1pey h GLU 92 N 0.67 0.73 -0.78 1.69 5.08 -0.97 -2.05 114.58 118.95 1pey h GLU 92 Ca 0.12 -0.38 -0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1pey h GLU 92 Cb 0.55 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 1pey h GLU 92 CO 0.03 1.00 0.47 0.66 -1.00 0.00 0.00 179.01 180.17 1pey h SER 93 N 0.48 0.94 -0.38 1.42 4.64 -0.85 0.15 113.55 119.95 1pey h SER 93 Ca 0.05 -0.05 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1pey h SER 93 Cb 0.86 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.70 1pey h SER 93 CO 0.07 0.72 0.09 0.11 -0.87 0.00 0.00 176.83 176.95 1pey h LYS 94 N 1.08 0.61 0.00 4.77 1.57 -1.16 0.28 116.57 123.72 1pey h LYS 94 Ca 0.28 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 1pey h LYS 94 Cb -0.04 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 1pey h LYS 94 CO -0.05 0.65 -0.11 0.93 -0.57 0.00 0.00 179.45 180.29 1pey h GLU 95 N 0.47 0.00 -0.01 3.15 5.08 -0.53 -0.72 114.58 122.02 1pey h GLU 95 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1pey h GLU 95 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1pey h GLU 95 CO 0.00 0.11 -0.08 1.28 -1.00 0.00 0.00 179.01 179.32 1pey n LEU 96 N -4.33 0.99 0.00 1.33 4.77 0.42 -4.94 117.00 115.23 1pey n LEU 96 Ca -0.03 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 1pey n LEU 96 Cb 0.19 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1pey n LEU 96 CO 0.35 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 1pey n GLY 97 N 1.21 0.67 3.62 -0.72 0.00 -0.28 -4.96 105.19 104.73 1pey n GLY 97 Ca 0.17 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.73 1pey n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pey n ALA 98 N -1.20 0.12 -0.20 4.61 0.00 0.01 -4.69 120.51 119.15 1pey n ALA 98 Ca 0.00 0.43 -0.09 0.00 0.00 0.00 0.00 53.44 53.78 1pey n ALA 98 Cb 0.00 -2.14 0.02 0.00 0.00 0.00 0.00 19.45 17.33 1pey n ALA 98 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1pey h LEU 99 N 3.65 0.97 0.00 0.00 4.07 -0.61 -3.42 115.31 119.96 1pey h LEU 99 Ca -0.44 -0.30 0.11 0.00 0.08 0.00 0.00 57.88 57.33 1pey h LEU 99 Cb 1.31 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 42.77 1pey h LEU 99 CO 0.72 1.04 0.28 1.07 -1.08 0.00 0.00 178.44 180.46 1pey n THR 100 N -4.25 0.00 -3.88 0.22 5.66 -1.26 -5.07 114.28 105.70 1pey n THR 100 Ca 0.02 -0.05 -0.11 0.00 -3.05 0.00 0.00 64.05 60.86 1pey n THR 100 Cb 0.33 0.18 -0.12 0.00 -1.55 0.00 0.00 70.33 69.17 1pey n THR 100 CO 0.00 0.00 0.00 -1.38 -3.05 0.00 0.00 175.07 170.64 1pey s HIS 101 N -2.77 0.03 -0.01 1.09 -3.43 -1.26 -2.39 115.29 106.55 1pey s HIS 101 Ca 0.09 -0.07 0.05 0.00 -0.80 0.00 0.00 55.06 54.34 1pey s HIS 101 Cb -0.00 -0.05 -0.01 0.00 -1.43 0.00 0.00 32.58 31.09 1pey s HIS 101 CO -0.00 -0.15 -0.17 -0.06 -2.00 0.00 0.00 174.74 172.36 1pey s PHE 102 N -0.75 1.52 0.09 0.38 0.08 -0.35 -4.98 117.98 113.97 1pey s PHE 102 Ca -0.08 -0.29 0.01 0.00 0.12 0.00 0.00 56.93 56.68 1pey s PHE 102 Cb -0.05 -0.97 -0.04 0.00 -0.57 0.00 0.00 43.02 41.39 1pey s PHE 102 CO 0.00 -0.02 0.24 0.00 -0.10 0.00 0.00 175.22 175.34 1pey s ALA 103 N -0.43 4.00 -0.05 5.36 0.00 -1.26 0.54 121.76 129.92 1pey s ALA 103 Ca 0.06 -0.90 -0.04 0.00 0.00 0.00 0.00 51.96 51.08 1pey s ALA 103 Cb -0.07 -1.81 -0.04 0.00 0.00 0.00 0.00 23.12 21.20 1pey s ALA 103 CO -0.00 0.73 0.15 0.15 0.00 0.00 0.00 175.76 176.79 1pey s LYS 104 N -2.75 3.39 0.30 0.00 1.02 0.75 -2.94 119.74 119.51 1pey s LYS 104 Ca 0.35 -0.27 -0.29 0.00 0.02 0.00 0.00 55.97 55.77 1pey s LYS 104 Cb -0.12 -3.10 -0.10 0.00 -0.52 0.00 0.00 37.83 33.99 1pey s LYS 104 CO 0.28 0.71 1.23 -1.25 -0.92 0.00 0.00 175.35 175.41 1pey s PRO 105 N -1.58 4.46 0.21 -1.68 0.04 -1.26 -3.26 135.00 131.93 1pey s PRO 105 Ca 0.22 2.06 0.07 0.00 0.04 0.00 0.00 61.00 63.39 1pey s PRO 105 Cb -0.12 -3.12 -0.04 0.00 0.04 0.00 0.00 34.50 31.25 1pey s PRO 105 CO 0.13 -0.06 0.13 -0.59 0.04 0.00 0.00 177.00 176.66 1pey s PHE 106 N -1.02 3.05 -0.24 0.56 -0.12 -1.15 -5.07 117.98 113.99 1pey s PHE 106 Ca 0.48 -0.09 -0.25 0.00 -0.05 0.00 0.00 56.93 57.01 1pey s PHE 106 Cb -0.37 -1.42 -0.00 0.00 -0.63 0.00 0.00 43.02 40.61 1pey s PHE 106 CO 0.47 0.53 0.87 0.34 -0.05 0.00 0.00 175.22 177.38 1pey s ASP 107 N -3.47 6.88 0.32 1.98 2.15 -1.26 -4.94 116.67 118.33 1pey s ASP 107 Ca 0.31 1.10 0.03 0.00 0.43 0.00 0.00 52.55 54.43 1pey s ASP 107 Cb -0.09 -2.46 0.53 0.00 -0.30 0.00 0.00 42.92 40.61 1pey s ASP 107 CO 0.23 -0.54 1.83 0.40 -0.17 0.00 0.00 175.17 176.92 1pey h ILE 108 N 5.43 1.22 -0.78 4.11 1.08 -1.99 -2.66 117.51 123.91 1pey h ILE 108 Ca -0.22 -0.91 -0.05 0.00 -0.39 0.00 0.00 64.86 63.29 1pey h ILE 108 Cb 1.09 1.02 -0.03 0.00 -3.07 0.00 0.00 36.82 35.82 1pey h ILE 108 CO 0.89 0.31 0.29 0.44 -0.69 0.00 0.00 178.15 179.39 1pey h ASP 109 N 0.52 1.10 1.39 1.72 3.32 -1.98 -0.37 116.42 122.12 1pey h ASP 109 Ca 0.10 -0.19 -0.10 0.00 0.02 0.00 0.00 57.03 56.86 1pey h ASP 109 Cb 0.41 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1pey h ASP 109 CO 0.02 0.99 -0.49 1.05 -1.72 0.00 0.00 179.24 179.09 1pey h GLU 110 N 1.15 0.00 -0.20 3.56 4.11 -1.95 0.14 114.58 121.39 1pey h GLU 110 Ca 0.26 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.60 1pey h GLU 110 Cb 0.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 1pey h GLU 110 CO -0.02 0.49 -0.22 0.82 0.07 0.00 0.00 179.01 180.16 1pey h ILE 111 N 0.00 1.33 0.01 -1.06 1.08 -1.25 0.33 117.51 117.96 1pey h ILE 111 Ca -0.00 -1.39 0.01 0.00 -0.39 0.00 0.00 64.86 63.09 1pey h ILE 111 Cb 1.32 1.77 -0.01 0.00 -3.07 0.00 0.00 36.82 36.83 1pey h ILE 111 CO 0.06 0.42 -0.06 -0.09 -0.69 0.00 0.00 178.15 177.80 1pey h ARG 112 N 0.17 -0.11 -0.45 2.37 2.43 -1.00 0.57 114.38 118.37 1pey h ARG 112 Ca 0.03 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 1pey h ARG 112 Cb 0.77 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.32 1pey h ARG 112 CO 0.05 -0.07 -0.01 -0.44 -1.51 0.00 0.00 179.97 177.99 1pey h ASP 113 N -0.12 0.70 0.10 -3.80 3.32 -0.63 -0.05 116.42 115.93 1pey h ASP 113 Ca 0.02 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 56.90 1pey h ASP 113 Cb 0.14 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1pey h ASP 113 CO -0.05 0.78 -0.05 0.00 -1.72 0.00 0.00 179.24 178.20 1pey h ALA 114 N 1.31 -0.13 -0.47 3.45 0.00 0.15 -2.78 119.26 120.79 1pey h ALA 114 Ca 0.14 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1pey h ALA 114 Cb 0.43 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1pey h ALA 114 CO 0.02 -0.53 -0.05 0.28 0.00 0.00 0.00 179.25 178.96 1pey h VAL 115 N -0.21 1.25 0.00 0.00 2.07 -0.64 -2.18 116.25 116.55 1pey h VAL 115 Ca -0.01 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.41 1pey h VAL 115 Cb 0.17 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1pey h VAL 115 CO 0.02 0.38 0.00 0.29 0.02 0.00 0.00 177.57 178.28 1pey n LYS 116 N -4.19 0.05 -0.03 1.57 5.02 -0.06 -0.22 118.16 120.31 1pey n LYS 116 Ca 0.02 0.23 -0.21 0.00 -2.02 0.00 0.00 58.31 56.33 1pey n LYS 116 Cb 0.34 -1.58 -0.13 0.00 -0.02 0.00 0.00 35.03 33.63 1pey n LYS 116 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1pey h LYS 117 N 0.00 0.16 -0.01 1.97 3.64 -1.15 -3.10 116.57 118.10 1pey h LYS 117 Ca 0.00 -0.28 -0.17 0.00 -1.27 0.00 0.00 60.65 58.93 1pey h LYS 117 Cb 0.34 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 1pey h LYS 117 CO 0.00 1.13 -0.78 1.88 -2.27 0.00 0.00 179.45 179.42 1pey h TYR 118 N -0.50 0.12 -2.24 1.91 0.05 -1.02 -3.35 116.97 111.94 1pey h TYR 118 Ca -0.30 -0.06 -0.58 0.00 0.05 0.00 0.00 58.73 57.84 1pey h TYR 118 Cb 1.61 -0.02 -0.42 0.00 1.01 0.00 0.00 36.73 38.92 1pey h TYR 118 CO 0.13 0.83 -0.72 1.28 -1.05 0.00 0.00 178.16 178.62 1pey n LEU 119 N -3.67 3.87 -4.58 3.88 4.77 0.69 -5.08 117.00 116.88 1pey n LEU 119 Ca -0.02 -5.56 -0.47 0.00 -0.03 0.00 0.00 56.01 49.93 1pey n LEU 119 Cb 0.74 -0.37 -0.03 0.00 -2.33 0.00 0.00 43.42 41.43 1pey n LEU 119 CO 0.45 2.32 0.66 -2.65 -1.33 0.00 0.00 177.39 176.84 1pey n PRO 120 N -0.06 1.26 0.00 3.23 -0.02 -1.17 -4.73 135.00 133.50 1pey n PRO 120 Ca 0.30 0.45 0.10 0.00 -2.02 0.00 0.00 63.50 62.32 1pey n PRO 120 Cb 0.43 -1.89 0.57 0.00 -0.02 0.00 0.00 33.50 32.59 1pey n PRO 120 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76