#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pey s GLU 4 N 0.00 0.31 0.20 -3.83 2.56 -1.26 -4.94 118.70 111.74 1pey s GLU 4 Ca 0.00 0.46 -0.19 0.00 0.00 0.00 0.00 54.97 55.24 1pey s GLU 4 Cb 0.00 0.24 -0.08 0.00 2.00 0.00 0.00 34.13 36.29 1pey s GLU 4 CO 0.00 -0.42 0.70 0.15 -0.56 0.00 0.00 175.26 175.13 1pey s LYS 5 N 2.92 4.24 -0.04 4.30 1.02 -1.26 -2.64 119.74 128.28 1pey s LYS 5 Ca 0.11 0.84 0.01 0.00 0.02 0.00 0.00 55.97 56.95 1pey s LYS 5 Cb -0.09 -2.92 0.02 0.00 -0.52 0.00 0.00 37.83 34.32 1pey s LYS 5 CO -0.18 0.42 -0.04 0.42 -0.92 0.00 0.00 175.35 175.05 1pey s ILE 6 N -1.48 0.48 -0.17 2.17 1.01 -0.89 -1.86 121.20 120.45 1pey s ILE 6 Ca 0.41 -0.11 -0.07 0.00 0.00 0.00 0.00 60.65 60.89 1pey s ILE 6 Cb -0.17 -0.50 -0.04 0.00 0.01 0.00 0.00 42.46 41.76 1pey s ILE 6 CO 0.21 0.20 0.06 -0.22 0.00 0.00 0.00 174.94 175.19 1pey s LEU 7 N 0.80 3.80 -0.28 2.97 0.20 0.13 -1.87 118.68 124.43 1pey s LEU 7 Ca -0.10 0.10 -0.02 0.00 0.69 0.00 0.00 54.13 54.79 1pey s LEU 7 Cb -0.13 -1.95 0.04 0.00 -0.43 0.00 0.00 46.19 43.71 1pey s LEU 7 CO -0.00 0.20 -0.01 -0.63 -0.29 0.00 0.00 176.35 175.62 1pey s ILE 8 N 0.21 3.06 -0.34 6.68 1.09 -0.14 -0.09 121.20 131.67 1pey s ILE 8 Ca 0.04 -1.16 -0.06 0.00 -1.10 0.00 0.00 60.65 58.37 1pey s ILE 8 Cb -0.12 -2.66 0.04 0.00 -1.06 0.00 0.00 42.46 38.66 1pey s ILE 8 CO 0.01 0.03 0.11 -0.69 -0.10 0.00 0.00 174.94 174.30 1pey s VAL 9 N 1.31 3.72 -0.23 2.92 1.01 -0.25 -1.34 120.40 127.54 1pey s VAL 9 Ca -0.02 -1.19 -0.20 0.00 0.00 0.00 0.00 61.98 60.56 1pey s VAL 9 Cb -0.18 -3.13 0.06 0.00 0.00 0.00 0.00 36.38 33.13 1pey s VAL 9 CO -0.02 -0.20 0.60 -0.62 0.00 0.00 0.00 175.10 174.86 1pey s ASP 10 N 1.44 -0.64 0.00 3.32 -1.08 -0.80 -0.56 116.67 118.34 1pey s ASP 10 Ca -0.01 1.22 0.27 0.00 -0.52 0.00 0.00 52.55 53.51 1pey s ASP 10 Cb -0.20 1.22 0.88 0.00 -1.46 0.00 0.00 42.92 43.36 1pey s ASP 10 CO 0.02 -0.21 1.66 -0.90 0.52 0.00 0.00 175.17 176.26 1pey n ASP 11 N 2.93 0.50 -4.40 -0.34 3.85 -1.26 -4.34 116.55 113.49 1pey n ASP 11 Ca -0.15 -0.33 -0.44 0.00 -0.71 0.00 0.00 54.79 53.16 1pey n ASP 11 Cb 0.56 0.01 -0.05 0.00 -1.35 0.00 0.00 41.12 40.29 1pey n ASP 11 CO 0.00 0.00 0.00 -1.10 -1.01 0.00 0.00 177.20 175.09 1pey s GLN 12 N -2.76 3.07 0.23 0.11 -0.21 -1.26 -4.96 119.66 113.88 1pey s GLN 12 Ca 0.19 -1.16 -0.17 0.00 0.02 0.00 0.00 55.36 54.25 1pey s GLN 12 Cb 0.19 -4.21 0.24 0.00 1.00 0.00 0.00 33.01 30.22 1pey s GLN 12 CO 0.57 -1.46 1.51 0.43 -2.12 0.00 0.00 175.29 174.22 1pey n SER 13 N 6.37 -0.63 -0.06 5.90 7.64 -1.26 -2.22 113.62 129.37 1pey n SER 13 Ca -0.08 1.70 -0.09 0.00 1.01 0.00 0.00 58.87 61.41 1pey n SER 13 Cb 0.43 -0.39 -0.06 0.00 -1.01 0.00 0.00 64.21 63.18 1pey n SER 13 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1pey h GLY 14 N 0.00 -1.35 1.97 0.23 0.00 -1.98 -1.84 103.07 100.10 1pey h GLY 14 Ca 0.34 0.74 -0.08 0.00 0.00 0.00 0.00 47.33 48.33 1pey h GLY 14 CO -0.97 -0.36 -0.35 0.16 0.00 0.00 0.00 176.54 175.02 1pey h ILE 15 N -0.28 1.26 0.22 2.60 3.07 -1.95 -2.02 117.51 120.41 1pey h ILE 15 Ca 0.04 -1.24 -0.01 0.00 1.55 0.00 0.00 64.86 65.20 1pey h ILE 15 Cb 0.38 1.65 0.00 0.00 -0.27 0.00 0.00 36.82 38.58 1pey h ILE 15 CO -0.33 0.36 -0.11 -0.09 -1.05 0.00 0.00 178.15 176.93 1pey h ARG 16 N 0.03 -0.28 -0.32 0.16 2.43 -1.14 -0.15 114.38 115.11 1pey h ARG 16 Ca 0.00 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 1pey h ARG 16 Cb 0.64 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.24 1pey h ARG 16 CO 0.05 -0.06 0.05 0.82 -1.51 0.00 0.00 179.97 179.32 1pey h ILE 17 N -0.47 1.16 -0.04 1.20 2.04 -1.28 -0.69 117.51 119.43 1pey h ILE 17 Ca -0.03 -0.60 -0.22 0.00 1.00 0.00 0.00 64.86 65.01 1pey h ILE 17 Cb 0.35 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1pey h ILE 17 CO 0.05 0.21 -0.86 0.25 0.00 0.00 0.00 178.15 177.80 1pey h LEU 18 N 0.46 0.60 -0.51 1.44 5.85 -1.19 -2.20 115.31 119.76 1pey h LEU 18 Ca 0.11 -0.44 -0.07 0.00 0.84 0.00 0.00 57.88 58.31 1pey h LEU 18 Cb 0.22 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 1pey h LEU 18 CO 0.00 1.22 0.04 0.25 -0.34 0.00 0.00 178.44 179.62 1pey h LEU 19 N 0.30 0.84 -0.97 2.25 6.46 -0.65 -1.85 115.31 121.69 1pey h LEU 19 Ca -0.06 -0.28 0.08 0.00 -0.12 0.00 0.00 57.88 57.49 1pey h LEU 19 Cb 1.48 -0.22 -0.07 0.00 -0.73 0.00 0.00 40.66 41.11 1pey h LEU 19 CO 0.15 0.91 0.62 -1.13 -0.62 0.00 0.00 178.44 178.38 1pey h ASN 20 N 0.73 0.96 0.68 1.25 -0.73 -1.03 0.57 115.58 118.02 1pey h ASN 20 Ca 0.15 0.02 -0.04 0.00 1.87 0.00 0.00 56.30 58.30 1pey h ASN 20 Cb 0.46 -0.18 -0.01 0.00 0.27 0.00 0.00 38.32 38.86 1pey h ASN 20 CO 0.02 0.59 -0.21 -0.08 -0.37 0.00 0.00 177.43 177.38 1pey h GLU 21 N 1.08 0.00 -0.05 6.67 4.57 -0.83 -2.22 114.58 123.80 1pey h GLU 21 Ca 0.44 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.59 1pey h GLU 21 Cb 0.26 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.85 1pey h GLU 21 CO -0.20 0.21 -0.07 0.28 -1.18 0.00 0.00 179.01 178.04 1pey h VAL 22 N 0.00 1.40 0.00 0.32 2.07 -0.10 -2.62 116.25 117.32 1pey h VAL 22 Ca -0.00 -1.30 -0.09 0.00 0.82 0.00 0.00 66.70 66.13 1pey h VAL 22 Cb 0.60 2.15 -0.01 0.00 -1.52 0.00 0.00 31.29 32.51 1pey h VAL 22 CO 0.03 0.36 -0.41 -0.26 0.02 0.00 0.00 177.57 177.31 1pey h PHE 23 N -0.34 0.00 -0.12 1.57 0.04 -1.34 -2.26 116.94 114.48 1pey h PHE 23 Ca 0.01 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1pey h PHE 23 Cb 0.61 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.76 1pey h PHE 23 CO 0.10 0.41 0.03 -0.91 -0.60 0.00 0.00 178.31 177.34 1pey h ASN 24 N 0.00 0.19 -0.13 2.17 -0.26 -1.39 0.68 115.58 116.84 1pey h ASN 24 Ca -0.00 -0.23 0.03 0.00 -0.56 0.00 0.00 56.30 55.55 1pey h ASN 24 Cb 0.79 -0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 37.99 1pey h ASN 24 CO 0.05 0.36 0.10 0.50 -1.06 0.00 0.00 177.43 177.38 1pey h LYS 25 N 0.00 0.02 0.00 0.81 3.64 -1.21 0.34 116.57 120.16 1pey h LYS 25 Ca 0.04 -0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.29 1pey h LYS 25 Cb 0.25 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1pey h LYS 25 CO 0.00 0.01 -0.61 0.93 -2.27 0.00 0.00 179.45 177.51 1pey h GLU 26 N 0.02 0.00 0.00 1.90 5.08 -0.78 -3.47 114.58 117.32 1pey h GLU 26 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1pey h GLU 26 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1pey h GLU 26 CO -0.00 0.61 0.00 0.41 -1.00 0.00 0.00 179.01 179.03 1pey n GLY 27 N 0.67 1.54 3.89 -3.84 0.00 0.12 -5.09 105.19 102.47 1pey n GLY 27 Ca -0.00 0.00 -0.32 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 3.46 -0.29 1.61 2.02 -0.08 -4.86 117.35 117.21 1pey s TYR 28 Ca 0.00 0.67 -0.22 0.00 -0.37 0.00 0.00 57.07 57.15 1pey s TYR 28 Cb 0.00 -2.09 -0.01 0.00 -0.40 0.00 0.00 41.96 39.46 1pey s TYR 28 CO 0.00 0.38 0.71 -1.14 -1.57 0.00 0.00 175.55 173.93 1pey s GLN 29 N -2.70 3.98 0.32 -0.62 0.74 -1.08 -4.21 119.66 116.09 1pey s GLN 29 Ca 0.43 0.51 0.07 0.00 0.05 0.00 0.00 55.36 56.42 1pey s GLN 29 Cb -0.12 -3.71 -0.02 0.00 1.10 0.00 0.00 33.01 30.26 1pey s GLN 29 CO 0.23 -0.59 0.33 0.95 -0.55 0.00 0.00 175.29 175.67 1pey s THR 30 N 2.76 3.83 -0.02 -0.34 -4.23 -1.26 -2.10 115.64 114.27 1pey s THR 30 Ca 0.29 -1.26 -0.09 0.00 -1.18 0.00 0.00 61.69 59.45 1pey s THR 30 Cb -0.15 -3.29 0.01 0.00 1.34 0.00 0.00 72.50 70.41 1pey s THR 30 CO 0.11 -0.19 0.21 -0.36 -0.54 0.00 0.00 174.62 173.85 1pey s PHE 31 N -2.24 -0.09 0.08 3.99 0.08 -0.78 -4.93 117.98 114.09 1pey s PHE 31 Ca 0.41 0.15 0.06 0.00 0.12 0.00 0.00 56.93 57.67 1pey s PHE 31 Cb -0.07 0.02 -0.03 0.00 -0.57 0.00 0.00 43.02 42.37 1pey s PHE 31 CO 0.28 -0.28 -0.16 -0.65 -0.10 0.00 0.00 175.22 174.31 1pey s GLN 32 N -1.02 0.92 0.01 0.44 -0.21 -1.26 -0.96 119.66 117.57 1pey s GLN 32 Ca -0.11 -0.99 -0.05 0.00 0.02 0.00 0.00 55.36 54.23 1pey s GLN 32 Cb -0.06 -0.99 -0.01 0.00 1.00 0.00 0.00 33.01 32.95 1pey s GLN 32 CO 0.02 0.23 0.09 0.00 -2.12 0.00 0.00 175.29 173.50 1pey s ALA 33 N -1.20 -0.17 -0.48 6.09 0.00 -0.45 -4.94 121.76 120.62 1pey s ALA 33 Ca 0.01 -0.32 0.04 0.00 0.00 0.00 0.00 51.96 51.69 1pey s ALA 33 Cb -0.10 0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.18 1pey s ALA 33 CO 0.03 -0.21 0.54 0.00 0.00 0.00 0.00 175.76 176.11 1pey n ALA 34 N 1.38 2.50 -3.31 0.00 0.00 -1.26 -1.91 120.51 117.90 1pey n ALA 34 Ca -0.23 -0.44 -0.12 0.00 0.00 0.00 0.00 53.44 52.65 1pey n ALA 34 Cb 0.56 -0.15 -0.01 0.00 0.00 0.00 0.00 19.45 19.85 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 -0.60 0.56 0.25 0.00 2.20 -1.26 -4.24 114.94 111.85 1pey s ASN 35 Ca 0.04 -1.37 0.02 0.00 -0.94 0.00 0.00 52.86 50.61 1pey s ASN 35 Cb 0.04 0.76 0.30 0.00 -2.00 0.00 0.00 41.25 40.35 1pey s ASN 35 CO 0.08 -1.50 1.63 1.23 -2.94 0.00 0.00 177.10 175.59 1pey h GLY 36 N 2.04 0.46 0.96 0.45 0.00 -1.96 -2.31 103.07 102.70 1pey h GLY 36 Ca -0.30 -0.46 -0.05 0.00 0.00 0.00 0.00 47.33 46.52 1pey h GLY 36 CO 0.40 0.41 -0.46 -2.00 0.00 0.00 0.00 176.54 174.89 1pey h LEU 37 N 0.35 -1.09 -1.12 3.11 6.46 -1.99 0.20 115.31 121.23 1pey h LEU 37 Ca 0.03 0.04 0.05 0.00 -0.12 0.00 0.00 57.88 57.87 1pey h LEU 37 Cb 0.89 0.28 -0.06 0.00 -0.73 0.00 0.00 40.66 41.05 1pey h LEU 37 CO 0.07 -0.75 0.60 1.56 -0.62 0.00 0.00 178.44 179.30 1pey h GLN 38 N -1.34 1.08 0.63 1.25 4.20 -1.98 0.10 115.11 119.05 1pey h GLN 38 Ca -0.13 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.49 1pey h GLN 38 Cb 0.98 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 28.52 1pey h GLN 38 CO 0.22 0.72 -0.38 0.00 -0.67 0.00 0.00 178.83 178.71 1pey h ALA 39 N 1.48 -1.20 -0.69 3.87 0.00 -1.23 0.12 119.26 121.61 1pey h ALA 39 Ca 0.38 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 55.16 1pey h ALA 39 Cb 0.09 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1pey h ALA 39 CO -0.13 -1.16 0.45 -0.07 0.00 0.00 0.00 179.25 178.35 1pey h LEU 40 N -0.94 0.59 0.54 0.00 3.38 -0.75 -0.81 115.31 117.31 1pey h LEU 40 Ca -0.09 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1pey h LEU 40 Cb 0.75 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1pey h LEU 40 CO 0.09 0.37 -0.36 0.44 0.09 0.00 0.00 178.44 179.08 1pey h ASP 41 N 0.67 -0.91 -0.71 -0.43 5.19 -0.46 -1.39 116.42 118.38 1pey h ASP 41 Ca 0.30 0.06 0.02 0.00 -0.62 0.00 0.00 57.03 56.79 1pey h ASP 41 Cb 0.33 0.27 -0.04 0.00 0.18 0.00 0.00 39.33 40.07 1pey h ASP 41 CO -0.10 -0.55 0.47 0.40 -3.12 0.00 0.00 179.24 176.34 1pey h ILE 42 N -0.86 1.14 0.19 0.35 2.04 -0.18 -1.23 117.51 118.95 1pey h ILE 42 Ca -0.06 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.49 1pey h ILE 42 Cb 0.71 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 1pey h ILE 42 CO 0.05 0.16 -0.16 0.58 0.00 0.00 0.00 178.15 178.78 1pey h VAL 43 N 0.90 0.65 0.24 1.67 2.07 -0.85 0.12 116.25 121.05 1pey h VAL 43 Ca 0.27 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.80 1pey h VAL 43 Cb -0.01 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1pey h VAL 43 CO -0.07 0.00 -0.24 0.74 0.02 0.00 0.00 177.57 178.02 1pey h THR 44 N -0.36 0.48 0.00 2.57 2.02 -0.77 0.48 112.91 117.33 1pey h THR 44 Ca -0.00 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 1pey h THR 44 Cb 0.33 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 1pey h THR 44 CO -0.03 0.00 -0.27 0.11 0.37 0.00 0.00 175.52 175.70 1pey h LYS 45 N -0.51 0.00 0.00 6.66 1.79 -1.11 -3.36 116.57 120.03 1pey h LYS 45 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1pey h LYS 45 Cb 0.48 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 1pey h LYS 45 CO -0.05 0.27 -0.44 0.39 -1.08 0.00 0.00 179.45 178.54 1pey n GLU 46 N -3.39 3.08 -3.61 3.15 -0.58 0.42 -5.07 120.64 114.64 1pey n GLU 46 Ca 0.00 0.00 -0.23 0.00 -0.42 0.00 0.00 57.16 56.51 1pey n GLU 46 Cb 0.48 -0.67 0.02 0.00 -0.57 0.00 0.00 31.44 30.69 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 -0.99 -1.27 -1.18 3.49 5.12 0.16 -4.95 116.66 117.04 1pey n ARG 47 Ca 0.00 0.77 -0.32 0.00 -1.93 0.00 0.00 57.85 56.37 1pey n ARG 47 Cb 0.00 -3.72 0.11 0.00 -1.16 0.00 0.00 32.46 27.68 1pey n ARG 47 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1pey s PRO 48 N -5.06 1.96 0.29 5.56 0.04 -1.26 -4.96 135.00 131.57 1pey s PRO 48 Ca 0.21 1.36 0.21 0.00 0.04 0.00 0.00 61.00 62.82 1pey s PRO 48 Cb -0.08 -1.85 0.13 0.00 0.04 0.00 0.00 34.50 32.74 1pey s PRO 48 CO 0.86 -1.90 1.30 -0.44 0.04 0.00 0.00 177.00 176.86 1pey h ASP 49 N -1.11 0.00 -4.42 6.66 3.32 -1.74 -3.43 116.42 115.70 1pey h ASP 49 Ca -0.44 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.48 1pey h ASP 49 Cb 1.25 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.58 1pey h ASP 49 CO 0.49 0.13 -0.27 -0.22 -1.72 0.00 0.00 179.24 177.65 1pey s LEU 50 N -5.90 0.69 -0.03 1.55 2.96 -1.05 -1.65 118.68 115.24 1pey s LEU 50 Ca 0.03 0.43 0.02 0.00 -0.22 0.00 0.00 54.13 54.39 1pey s LEU 50 Cb 0.07 1.29 0.01 0.00 0.50 0.00 0.00 46.19 48.07 1pey s LEU 50 CO 0.74 -0.29 -0.07 0.54 -1.32 0.00 0.00 176.35 175.95 1pey s VAL 51 N -0.55 0.66 -0.41 1.68 0.11 -0.26 0.21 120.40 121.84 1pey s VAL 51 Ca -0.07 -0.27 -0.12 0.00 -2.93 0.00 0.00 61.98 58.60 1pey s VAL 51 Cb -0.04 -0.62 0.05 0.00 -1.53 0.00 0.00 36.38 34.24 1pey s VAL 51 CO 0.03 0.23 0.27 -0.76 -3.33 0.00 0.00 175.10 171.53 1pey s LEU 52 N 0.41 5.06 -0.43 2.54 1.43 0.88 -0.97 118.68 127.60 1pey s LEU 52 Ca -0.06 -1.17 -0.17 0.00 -1.03 0.00 0.00 54.13 51.70 1pey s LEU 52 Cb -0.10 -2.07 0.03 0.00 0.03 0.00 0.00 46.19 44.08 1pey s LEU 52 CO 0.00 -0.48 0.44 -0.22 0.23 0.00 0.00 176.35 176.32 1pey s LEU 53 N 1.56 4.95 -0.01 1.79 0.20 0.28 -1.10 118.68 126.37 1pey s LEU 53 Ca 0.03 -0.76 -0.30 0.00 0.69 0.00 0.00 54.13 53.78 1pey s LEU 53 Cb -0.21 -2.36 -0.06 0.00 -0.43 0.00 0.00 46.19 43.14 1pey s LEU 53 CO 0.06 -0.60 1.44 -0.62 -0.29 0.00 0.00 176.35 176.34 1pey s ASP 54 N 1.93 6.82 0.00 3.68 2.15 0.28 -0.20 116.67 131.32 1pey s ASP 54 Ca 0.11 2.14 0.27 0.00 0.43 0.00 0.00 52.55 55.50 1pey s ASP 54 Cb -0.18 -2.56 0.87 0.00 -0.30 0.00 0.00 42.92 40.76 1pey s ASP 54 CO 0.13 -0.75 1.65 0.23 -0.17 0.00 0.00 175.17 176.25 1pey n MET 55 N 5.58 0.41 -3.84 4.34 2.81 -0.52 -4.54 117.12 121.38 1pey n MET 55 Ca 0.14 -0.19 -0.32 0.00 -1.81 0.00 0.00 57.70 55.51 1pey n MET 55 Cb 0.43 -1.50 -0.11 0.00 -0.71 0.00 0.00 33.22 31.33 1pey n MET 55 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1pey s LYS 56 N -2.72 2.47 -0.26 0.03 3.01 -1.26 -4.50 119.74 116.50 1pey s LYS 56 Ca 0.20 -2.94 -0.01 0.00 -1.01 0.00 0.00 55.97 52.21 1pey s LYS 56 Cb 0.19 -3.54 0.08 0.00 -1.01 0.00 0.00 37.83 33.54 1pey s LYS 56 CO 0.57 -1.20 0.04 0.42 0.51 0.00 0.00 175.35 175.68 1pey s ILE 57 N -0.78 1.05 -0.38 2.17 1.01 -1.26 -4.82 121.20 118.19 1pey s ILE 57 Ca 0.21 -1.18 -0.34 0.00 0.00 0.00 0.00 60.65 59.34 1pey s ILE 57 Cb -0.15 -1.59 -0.15 0.00 0.01 0.00 0.00 42.46 40.58 1pey s ILE 57 CO -0.08 -0.39 1.45 -2.65 0.00 0.00 0.00 174.94 173.27 1pey n PRO 58 N 4.82 0.00 -0.49 2.79 -0.01 -1.26 -0.18 135.00 140.67 1pey n PRO 58 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.43 1pey n PRO 58 Cb 0.44 -1.13 0.00 0.00 -0.01 0.00 0.00 33.50 32.80 1pey n PRO 58 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1pey n GLY 59 N 4.60 0.75 3.39 -1.23 0.00 -1.26 -5.06 105.19 106.38 1pey n GLY 59 Ca 0.34 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.51 2.46 -0.64 1.61 0.00 0.75 -5.04 119.30 117.93 1pey s MET 60 Ca 0.00 -0.80 -0.15 0.00 0.00 0.00 0.00 55.69 54.74 1pey s MET 60 Cb 0.00 -2.26 0.16 0.00 0.00 0.00 0.00 34.83 32.73 1pey s MET 60 CO 0.00 0.54 0.60 0.34 0.00 0.00 0.00 175.02 176.49 1pey s ASP 61 N -0.53 6.39 0.29 1.11 -1.08 -1.26 -4.67 116.67 116.92 1pey s ASP 61 Ca 0.07 -2.10 0.04 0.00 -0.52 0.00 0.00 52.55 50.04 1pey s ASP 61 Cb -0.11 -2.21 0.67 0.00 -1.46 0.00 0.00 42.92 39.81 1pey s ASP 61 CO 0.01 -0.76 1.77 1.23 0.52 0.00 0.00 175.17 177.93 1pey h GLY 62 N 8.52 1.65 0.87 2.66 0.00 -1.90 -1.10 103.07 113.76 1pey h GLY 62 Ca -0.16 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 46.85 1pey h GLY 62 CO 0.94 -0.07 -0.01 -2.22 0.00 0.00 0.00 176.54 175.18 1pey h ILE 63 N 0.70 1.08 -0.73 2.60 1.08 -1.93 -0.15 117.51 120.16 1pey h ILE 63 Ca 0.54 -0.31 -0.03 0.00 -0.39 0.00 0.00 64.86 64.67 1pey h ILE 63 Cb 0.83 1.29 -0.03 0.00 -3.07 0.00 0.00 36.82 35.83 1pey h ILE 63 CO -0.39 0.08 0.33 -0.33 -0.69 0.00 0.00 178.15 177.16 1pey h GLU 64 N -0.16 1.05 -0.79 2.37 4.39 -1.86 -0.48 114.58 119.10 1pey h GLU 64 Ca -0.00 -0.15 -0.03 0.00 0.34 0.00 0.00 59.36 59.51 1pey h GLU 64 Cb 0.15 -0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 28.58 1pey h GLU 64 CO 0.00 0.82 0.37 0.82 -1.16 0.00 0.00 179.01 179.86 1pey h ILE 65 N 1.04 1.25 -0.15 3.13 1.08 -1.04 -0.44 117.51 122.38 1pey h ILE 65 Ca 0.25 -0.73 0.01 0.00 -0.39 0.00 0.00 64.86 64.01 1pey h ILE 65 Cb 0.13 0.27 -0.02 0.00 -3.07 0.00 0.00 36.82 34.13 1pey h ILE 65 CO -0.03 0.31 0.05 0.25 -0.69 0.00 0.00 178.15 178.04 1pey h LEU 66 N 1.12 0.05 0.68 1.44 5.85 -0.09 -1.72 115.31 122.64 1pey h LEU 66 Ca 0.27 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.98 1pey h LEU 66 Cb 0.14 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1pey h LEU 66 CO -0.03 0.05 -0.45 0.11 -0.34 0.00 0.00 178.44 177.78 1pey h LYS 67 N 0.12 -1.03 -1.10 1.25 1.57 -0.61 -2.60 116.57 114.18 1pey h LYS 67 Ca 0.07 0.07 0.31 0.00 -1.87 0.00 0.00 60.65 59.23 1pey h LYS 67 Cb 0.04 0.23 -0.05 0.00 0.08 0.00 0.00 32.23 32.53 1pey h LYS 67 CO -0.07 -0.69 0.78 0.00 -0.57 0.00 0.00 179.45 178.90 1pey h ARG 68 N -1.07 0.06 -0.09 3.15 3.08 -1.02 0.26 114.38 118.74 1pey h ARG 68 Ca -0.09 -0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.75 1pey h ARG 68 Cb 0.87 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.91 1pey h ARG 68 CO 0.07 0.04 -0.79 0.52 -1.07 0.00 0.00 179.97 178.74 1pey h MET 69 N 0.06 0.57 -0.25 0.04 2.86 -0.95 -2.69 114.93 114.59 1pey h MET 69 Ca 0.54 -0.49 -0.06 0.00 -2.06 0.00 0.00 59.70 57.63 1pey h MET 69 Cb 2.02 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 33.78 1pey h MET 69 CO -0.05 1.12 -0.07 0.87 1.06 0.00 0.00 176.91 179.84 1pey h LYS 70 N 0.38 0.48 -1.02 1.72 1.57 -0.20 -2.08 116.57 117.42 1pey h LYS 70 Ca -0.05 -0.19 0.25 0.00 -1.87 0.00 0.00 60.65 58.80 1pey h LYS 70 Cb 1.40 -0.03 -0.11 0.00 0.08 0.00 0.00 32.23 33.57 1pey h LYS 70 CO 0.15 0.71 0.62 0.28 -0.57 0.00 0.00 179.45 180.64 1pey h VAL 71 N 0.22 0.53 0.08 0.50 2.07 -1.13 0.76 116.25 119.28 1pey h VAL 71 Ca 0.06 -0.18 -0.23 0.00 0.82 0.00 0.00 66.70 67.18 1pey h VAL 71 Cb 0.54 -0.04 0.02 0.00 -1.52 0.00 0.00 31.29 30.29 1pey h VAL 71 CO 0.03 0.09 -0.94 0.40 0.02 0.00 0.00 177.57 177.17 1pey h ILE 72 N 0.52 1.38 0.00 4.57 2.04 -1.19 -3.43 117.51 121.40 1pey h ILE 72 Ca 0.63 -2.35 0.00 0.00 1.00 0.00 0.00 64.86 64.14 1pey h ILE 72 Cb 1.33 2.77 0.00 0.00 -0.74 0.00 0.00 36.82 40.18 1pey h ILE 72 CO -0.42 0.69 -0.39 -0.67 0.00 0.00 0.00 178.15 177.36 1pey n ASP 73 N -4.00 1.39 0.00 1.72 -0.08 -0.64 -5.00 116.55 109.94 1pey n ASP 73 Ca -0.13 0.21 0.00 0.00 -1.51 0.00 0.00 54.79 53.36 1pey n ASP 73 Cb 0.85 -0.49 0.00 0.00 2.34 0.00 0.00 41.12 43.82 1pey n ASP 73 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1pey n GLU 74 N -3.83 0.00 0.09 -0.67 -0.58 0.25 -4.51 120.64 111.39 1pey n GLU 74 Ca -0.06 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.73 1pey n GLU 74 Cb 0.20 -0.97 -0.02 0.00 -0.57 0.00 0.00 31.44 30.08 1pey n GLU 74 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 1pey h ASN 75 N 0.00 0.00 -1.99 1.62 -0.26 -1.93 -3.47 115.58 109.56 1pey h ASN 75 Ca 0.00 0.00 -0.64 0.00 -0.56 0.00 0.00 56.30 55.10 1pey h ASN 75 Cb 0.00 0.00 0.07 0.00 -1.06 0.00 0.00 38.32 37.33 1pey h ASN 75 CO 0.00 0.34 0.46 0.00 -1.06 0.00 0.00 177.43 177.17 1pey n ILE 76 N -2.90 0.43 -3.80 2.81 0.13 -1.26 -4.97 119.36 109.79 1pey n ILE 76 Ca -0.03 -0.11 -0.37 0.00 -1.10 0.00 0.00 62.75 61.14 1pey n ILE 76 Cb 0.71 -1.02 -0.06 0.00 -0.84 0.00 0.00 39.64 38.43 1pey n ILE 76 CO 0.00 0.00 0.00 -0.13 2.80 0.00 0.00 176.55 179.22 1pey s ARG 77 N 0.13 3.55 -0.02 9.51 0.52 -0.66 -4.97 118.95 127.01 1pey s ARG 77 Ca 0.78 -0.03 0.02 0.00 -0.52 0.00 0.00 55.73 55.98 1pey s ARG 77 Cb -0.84 -3.20 0.00 0.00 0.52 0.00 0.00 34.95 31.43 1pey s ARG 77 CO 0.48 0.75 -0.07 0.54 0.02 0.00 0.00 175.30 177.02 1pey s VAL 78 N -1.00 0.57 -0.11 3.52 0.11 -1.26 -1.10 120.40 121.12 1pey s VAL 78 Ca 0.16 -0.27 0.02 0.00 -2.93 0.00 0.00 61.98 58.97 1pey s VAL 78 Cb -0.13 -0.51 0.01 0.00 -1.53 0.00 0.00 36.38 34.23 1pey s VAL 78 CO 0.06 0.18 -0.17 -0.63 -3.33 0.00 0.00 175.10 171.21 1pey s ILE 79 N 0.10 1.63 0.19 7.04 1.01 -0.15 -0.56 121.20 130.46 1pey s ILE 79 Ca -0.01 -0.72 -0.08 0.00 0.00 0.00 0.00 60.65 59.84 1pey s ILE 79 Cb -0.06 -1.47 -0.07 0.00 0.01 0.00 0.00 42.46 40.87 1pey s ILE 79 CO -0.00 0.47 0.48 0.27 0.00 0.00 0.00 174.94 176.16 1pey s ILE 80 N 0.93 5.02 -0.13 2.92 -4.36 -0.90 -0.55 121.20 124.12 1pey s ILE 80 Ca -0.07 0.35 0.01 0.00 -0.26 0.00 0.00 60.65 60.67 1pey s ILE 80 Cb -0.15 -3.63 -0.01 0.00 1.25 0.00 0.00 42.46 39.92 1pey s ILE 80 CO -0.01 0.00 -0.17 -0.04 0.24 0.00 0.00 174.94 174.97 1pey s MET 81 N -2.66 3.26 0.33 0.37 -1.94 0.72 -0.47 119.30 118.91 1pey s MET 81 Ca 0.44 -0.75 0.04 0.00 -1.71 0.00 0.00 55.69 53.71 1pey s MET 81 Cb -0.12 -2.54 -0.06 0.00 2.01 0.00 0.00 34.83 34.12 1pey s MET 81 CO 0.22 0.16 0.06 0.95 -0.01 0.00 0.00 175.02 176.40 1pey s THR 82 N 0.44 1.24 0.73 2.05 -4.23 -0.28 -1.43 115.64 114.17 1pey s THR 82 Ca -0.12 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.28 1pey s THR 82 Cb -0.16 -2.81 0.03 0.00 1.34 0.00 0.00 72.50 70.90 1pey s THR 82 CO 0.05 0.00 1.09 0.00 -0.54 0.00 0.00 174.62 175.23 1pey s ALA 83 N -3.26 2.70 -0.86 3.99 0.00 -1.26 0.26 121.76 123.33 1pey s ALA 83 Ca 0.36 -0.26 -0.26 0.00 0.00 0.00 0.00 51.96 51.80 1pey s ALA 83 Cb 0.09 -3.06 -0.16 0.00 0.00 0.00 0.00 23.12 19.99 1pey s ALA 83 CO 0.16 -1.30 2.35 -0.47 0.00 0.00 0.00 175.76 176.49 1pey s TYR 84 N -3.27 1.15 -2.20 0.00 5.04 -0.81 -4.50 117.35 112.76 1pey s TYR 84 Ca 0.59 2.07 0.00 0.00 -2.44 0.00 0.00 57.07 57.29 1pey s TYR 84 Cb -0.12 -3.41 0.00 0.00 0.35 0.00 0.00 41.96 38.78 1pey s TYR 84 CO 0.53 -1.37 0.00 0.41 -1.34 0.00 0.00 175.55 173.78 1pey n GLY 85 N 6.68 -0.66 0.11 8.97 0.00 -1.26 -5.04 105.19 113.99 1pey n GLY 85 Ca 0.46 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 1.61 0.00 -1.26 -4.97 120.64 116.02 1pey n GLU 86 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1pey n GLU 86 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1pey n GLU 86 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 1pey n LEU 87 N 0.83 0.00 -0.24 4.31 0.00 -1.26 -2.11 117.00 118.53 1pey n LEU 87 Ca 0.00 0.12 -0.06 0.00 0.00 0.00 0.00 56.01 56.08 1pey n LEU 87 Cb 0.00 -0.03 0.05 0.00 0.00 0.00 0.00 43.42 43.43 1pey n LEU 87 CO 0.00 -0.03 1.13 0.44 0.00 0.00 0.00 177.39 178.93 1pey h ASP 88 N 0.00 0.79 0.22 1.96 3.32 -2.00 -1.62 116.42 119.09 1pey h ASP 88 Ca 0.00 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 1pey h ASP 88 Cb 0.00 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.35 1pey h ASP 88 CO 0.00 0.61 -0.14 -0.03 -1.72 0.00 0.00 179.24 177.96 1pey h MET 89 N 0.91 -0.34 -0.33 3.56 4.05 -1.90 0.15 114.93 121.03 1pey h MET 89 Ca 0.24 0.02 0.04 0.00 -0.28 0.00 0.00 59.70 59.72 1pey h MET 89 Cb -0.05 0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 30.79 1pey h MET 89 CO -0.05 -0.23 0.12 0.82 0.23 0.00 0.00 176.91 177.81 1pey h ILE 90 N -0.35 0.92 -0.24 1.77 2.04 -1.32 -0.04 117.51 120.29 1pey h ILE 90 Ca -0.02 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1pey h ILE 90 Cb 0.30 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 1pey h ILE 90 CO 0.02 0.05 0.15 -0.61 0.00 0.00 0.00 178.15 177.76 1pey h GLN 91 N 0.26 0.31 -0.72 2.37 4.15 -1.07 -1.24 115.11 119.18 1pey h GLN 91 Ca 0.15 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.53 1pey h GLN 91 Cb 0.11 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.70 1pey h GLN 91 CO -0.15 0.22 0.39 1.49 -1.93 0.00 0.00 178.83 178.85 1pey h GLU 92 N 0.31 1.01 -0.37 1.69 4.81 -0.36 -2.09 114.58 119.57 1pey h GLU 92 Ca 0.09 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 1pey h GLU 92 Cb -0.02 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.14 1pey h GLU 92 CO -0.02 0.76 0.04 0.77 -0.73 0.00 0.00 179.01 179.84 1pey h SER 93 N 0.99 0.53 0.41 1.04 0.02 -0.66 -2.13 113.55 113.76 1pey h SER 93 Ca 0.25 -0.09 -0.14 0.00 -0.84 0.00 0.00 61.79 60.97 1pey h SER 93 Cb 0.05 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 1pey h SER 93 CO -0.04 0.57 -0.60 0.11 -1.14 0.00 0.00 176.83 175.73 1pey h LYS 94 N 0.55 0.18 0.00 3.45 1.57 -0.83 0.34 116.57 121.83 1pey h LYS 94 Ca 0.12 -0.13 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 1pey h LYS 94 Cb 0.29 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1pey h LYS 94 CO 0.00 0.73 -0.42 0.93 -0.57 0.00 0.00 179.45 180.12 1pey h GLU 95 N 0.14 0.00 -0.01 3.15 5.08 -0.88 -2.25 114.58 119.81 1pey h GLU 95 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1pey h GLU 95 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1pey h GLU 95 CO 0.09 0.42 -0.09 1.28 -1.00 0.00 0.00 179.01 179.71 1pey n LEU 96 N -3.71 1.22 0.00 1.33 4.77 -0.85 -4.94 117.00 114.82 1pey n LEU 96 Ca -0.01 -0.37 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 1pey n LEU 96 Cb 0.50 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1pey n LEU 96 CO 0.38 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 1pey n GLY 97 N 1.23 0.85 3.76 -0.72 0.00 -0.78 -4.95 105.19 104.57 1pey n GLY 97 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1pey n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pey s ALA 98 N -2.00 2.94 0.04 4.61 0.00 0.11 -4.66 121.76 122.80 1pey s ALA 98 Ca 0.00 1.23 -0.16 0.00 0.00 0.00 0.00 51.96 53.03 1pey s ALA 98 Cb 0.00 -3.51 -0.28 0.00 0.00 0.00 0.00 23.12 19.33 1pey s ALA 98 CO 0.00 -1.11 1.10 -0.07 0.00 0.00 0.00 175.76 175.67 1pey h LEU 99 N 1.82 0.79 0.00 0.00 4.07 -1.15 -3.41 115.31 117.43 1pey h LEU 99 Ca -0.50 -0.81 0.00 0.00 0.08 0.00 0.00 57.88 56.65 1pey h LEU 99 Cb 1.28 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 42.77 1pey h LEU 99 CO 0.59 1.52 0.00 1.07 -1.08 0.00 0.00 178.44 180.54 1pey n THR 100 N -3.91 0.00 -3.97 0.22 5.66 -1.26 -5.08 114.28 105.94 1pey n THR 100 Ca -0.13 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.78 1pey n THR 100 Cb 0.90 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.58 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 -3.76 0.25 -0.05 1.09 -3.43 -1.26 -2.12 115.29 106.02 1pey s HIS 101 Ca 0.00 -0.52 0.06 0.00 -0.80 0.00 0.00 55.06 53.79 1pey s HIS 101 Cb 0.00 -0.19 -0.02 0.00 -1.43 0.00 0.00 32.58 30.95 1pey s HIS 101 CO 0.00 -0.23 -0.22 -0.06 -2.00 0.00 0.00 174.74 172.23 1pey s PHE 102 N -1.70 2.49 0.26 0.38 0.08 0.38 -4.95 117.98 114.93 1pey s PHE 102 Ca -0.14 -0.54 -0.02 0.00 0.12 0.00 0.00 56.93 56.35 1pey s PHE 102 Cb -0.08 -1.60 -0.04 0.00 -0.57 0.00 0.00 43.02 40.73 1pey s PHE 102 CO -0.02 -0.10 0.48 0.00 -0.10 0.00 0.00 175.22 175.49 1pey s ALA 103 N -0.34 3.73 0.08 5.36 0.00 -1.26 -1.12 121.76 128.22 1pey s ALA 103 Ca 0.02 -0.76 0.06 0.00 0.00 0.00 0.00 51.96 51.28 1pey s ALA 103 Cb -0.12 -2.12 -0.04 0.00 0.00 0.00 0.00 23.12 20.83 1pey s ALA 103 CO 0.02 0.27 -0.08 0.15 0.00 0.00 0.00 175.76 176.12 1pey s LYS 104 N -3.62 2.26 0.38 0.00 1.02 0.14 -3.79 119.74 116.12 1pey s LYS 104 Ca 0.41 -0.95 -0.27 0.00 0.02 0.00 0.00 55.97 55.18 1pey s LYS 104 Cb -0.11 -2.37 -0.09 0.00 -0.52 0.00 0.00 37.83 34.74 1pey s LYS 104 CO 0.31 0.53 1.28 -1.25 -0.92 0.00 0.00 175.35 175.30 1pey s PRO 105 N -2.08 4.11 0.64 -1.68 0.04 -1.26 -1.93 135.00 132.84 1pey s PRO 105 Ca 0.21 2.13 -0.17 0.00 0.04 0.00 0.00 61.00 63.21 1pey s PRO 105 Cb -0.11 -2.85 -0.05 0.00 0.04 0.00 0.00 34.50 31.52 1pey s PRO 105 CO 0.13 -0.37 0.66 1.19 0.04 0.00 0.00 177.00 178.66 1pey n PHE 106 N 0.34 -0.28 -3.84 0.56 0.99 -1.25 -4.96 117.46 109.03 1pey n PHE 106 Ca 0.03 0.40 -0.32 0.00 -0.00 0.00 0.00 57.45 57.56 1pey n PHE 106 Cb 0.43 -1.99 -0.11 0.00 -1.00 0.00 0.00 39.48 36.81 1pey n PHE 106 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1pey s ASP 107 N -1.34 4.89 0.29 4.37 -1.08 -1.26 -4.97 116.67 117.57 1pey s ASP 107 Ca 0.70 -3.31 0.00 0.00 -0.52 0.00 0.00 52.55 49.42 1pey s ASP 107 Cb -0.40 -1.73 0.68 0.00 -1.46 0.00 0.00 42.92 40.02 1pey s ASP 107 CO 0.53 -0.22 1.61 0.40 0.52 0.00 0.00 175.17 178.02 1pey h ILE 108 N 4.95 0.18 -0.29 4.11 1.08 -1.99 0.11 117.51 125.67 1pey h ILE 108 Ca 0.03 -0.03 -0.13 0.00 -0.39 0.00 0.00 64.86 64.34 1pey h ILE 108 Cb 0.86 0.08 -0.00 0.00 -3.07 0.00 0.00 36.82 34.69 1pey h ILE 108 CO 0.72 0.02 -0.31 0.44 -0.69 0.00 0.00 178.15 178.33 1pey h ASP 109 N 0.09 0.77 -0.66 1.72 3.32 -1.99 -1.61 116.42 118.06 1pey h ASP 109 Ca 0.55 -0.48 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 1pey h ASP 109 Cb 1.10 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.40 1pey h ASP 109 CO -0.78 1.09 0.27 -0.08 -1.72 0.00 0.00 179.24 178.03 1pey h GLU 110 N 0.47 1.01 -0.38 3.56 4.22 -1.66 -0.80 114.58 121.00 1pey h GLU 110 Ca 0.04 -0.17 -0.07 0.00 0.08 0.00 0.00 59.36 59.24 1pey h GLU 110 Cb 0.89 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1pey h GLU 110 CO 0.08 0.83 -0.05 0.82 -2.18 0.00 0.00 179.01 178.50 1pey h ILE 111 N 0.99 1.27 -0.41 2.32 2.04 -0.73 -0.93 117.51 122.06 1pey h ILE 111 Ca 0.23 -1.10 -0.07 0.00 1.00 0.00 0.00 64.86 64.92 1pey h ILE 111 Cb 0.20 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 1pey h ILE 111 CO -0.02 0.37 -0.03 0.03 0.00 0.00 0.00 178.15 178.49 1pey h ARG 112 N 0.51 0.75 -0.43 2.37 3.08 -1.00 0.17 114.38 119.84 1pey h ARG 112 Ca 0.10 -0.26 0.02 0.00 0.07 0.00 0.00 59.98 59.91 1pey h ARG 112 Cb 0.55 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.51 1pey h ARG 112 CO 0.03 0.85 0.25 -0.44 -1.07 0.00 0.00 179.97 179.59 1pey h ASP 113 N 0.58 0.41 0.55 7.04 3.32 -1.11 0.31 116.42 127.52 1pey h ASP 113 Ca 0.11 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 1pey h ASP 113 Cb 0.53 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1pey h ASP 113 CO 0.03 0.29 -0.37 0.00 -1.72 0.00 0.00 179.24 177.47 1pey h ALA 114 N 1.19 -0.91 -0.93 3.45 0.00 -0.89 0.82 119.26 121.99 1pey h ALA 114 Ca 0.17 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.99 1pey h ALA 114 Cb 0.01 0.48 -0.07 0.00 0.00 0.00 0.00 17.79 18.22 1pey h ALA 114 CO -0.08 -1.03 0.60 0.28 0.00 0.00 0.00 179.25 179.02 1pey h VAL 115 N -0.89 1.01 -0.38 0.00 2.07 -0.44 0.16 116.25 117.79 1pey h VAL 115 Ca -0.06 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.11 1pey h VAL 115 Cb 0.73 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 1pey h VAL 115 CO 0.04 0.18 0.22 0.50 0.02 0.00 0.00 177.57 178.53 1pey h LYS 116 N 0.99 0.51 0.43 1.57 1.63 0.02 0.54 116.57 122.27 1pey h LYS 116 Ca 0.42 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 60.15 1pey h LYS 116 Cb 0.31 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.84 1pey h LYS 116 CO -0.18 0.39 -0.21 -0.22 -3.45 0.00 0.00 179.45 175.79 1pey h LYS 117 N 0.49 -0.56 0.00 1.90 3.64 0.81 -1.38 116.57 121.47 1pey h LYS 117 Ca 0.13 0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.50 1pey h LYS 117 Cb 0.02 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1pey h LYS 117 CO -0.02 -0.36 -0.27 1.88 -2.27 0.00 0.00 179.45 178.41 1pey h TYR 118 N -0.61 0.00 -1.79 1.91 -1.99 -0.65 -3.37 116.97 110.48 1pey h TYR 118 Ca -0.06 0.00 -0.52 0.00 2.00 0.00 0.00 58.73 60.15 1pey h TYR 118 Cb 0.46 0.00 -0.36 0.00 2.00 0.00 0.00 36.73 38.82 1pey h TYR 118 CO -0.04 0.27 -1.05 -0.11 -0.00 0.00 0.00 178.16 177.23 1pey n LEU 119 N -3.32 -0.10 -4.71 3.88 7.94 0.19 -5.07 117.00 115.81 1pey n LEU 119 Ca 0.01 -4.57 -0.40 0.00 -1.11 0.00 0.00 56.01 49.94 1pey n LEU 119 Cb 0.51 0.67 0.03 0.00 0.53 0.00 0.00 43.42 45.16 1pey n LEU 119 CO 0.35 2.08 0.91 -2.65 -1.11 0.00 0.00 177.39 176.97 1pey n PRO 120 N 1.33 1.77 -2.74 1.96 -0.02 -0.52 -4.56 135.00 132.22 1pey n PRO 120 Ca 0.20 0.64 -0.40 0.00 -2.02 0.00 0.00 63.50 61.93 1pey n PRO 120 Cb 0.55 -2.46 -0.06 0.00 -0.02 0.00 0.00 33.50 31.51 1pey n PRO 120 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1pey s LEU 121 N -2.49 4.60 0.00 2.45 1.43 -1.26 -5.10 118.68 118.30 1pey s LEU 121 Ca 0.66 1.95 0.00 0.00 -1.03 0.00 0.00 54.13 55.71 1pey s LEU 121 Cb -0.46 -3.68 0.00 0.00 0.03 0.00 0.00 46.19 42.09 1pey s LEU 121 CO 0.54 0.11 0.00 0.29 0.23 0.00 0.00 176.35 177.51