#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cey n ASP 3 N 0.00 -2.60 -1.23 0.00 -0.08 -1.26 -4.81 116.55 106.57 1cey n ASP 3 Ca 0.00 0.63 0.03 0.00 -1.51 0.00 0.00 54.79 53.94 1cey n ASP 3 Cb 0.00 -1.01 0.20 0.00 2.34 0.00 0.00 41.12 42.66 1cey n ASP 3 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1cey n LYS 4 N 0.71 2.95 -2.59 -0.67 5.02 -1.26 -4.17 118.16 118.15 1cey n LYS 4 Ca 0.09 -1.61 -0.04 0.00 -2.02 0.00 0.00 58.31 54.73 1cey n LYS 4 Cb 0.48 -1.88 0.10 0.00 -0.02 0.00 0.00 35.03 33.71 1cey n LYS 4 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1cey n GLU 5 N 0.30 1.03 -2.26 1.97 0.28 -1.25 -2.47 120.64 118.24 1cey n GLU 5 Ca 0.15 -1.32 -0.43 0.00 -0.16 0.00 0.00 57.16 55.40 1cey n GLU 5 Cb 0.75 0.13 -0.02 0.00 1.43 0.00 0.00 31.44 33.72 1cey n GLU 5 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 1cey s LEU 6 N -3.13 4.25 -0.18 -1.84 2.96 -1.26 -4.79 118.68 114.69 1cey s LEU 6 Ca 0.13 1.94 -0.35 0.00 -0.22 0.00 0.00 54.13 55.64 1cey s LEU 6 Cb 0.34 -3.54 -0.12 0.00 0.50 0.00 0.00 46.19 43.37 1cey s LEU 6 CO -0.09 -0.80 1.95 0.29 -1.32 0.00 0.00 176.35 176.38 1cey n LYS 7 N 6.51 1.80 -4.34 1.98 5.02 -1.26 -4.76 118.16 123.11 1cey n LYS 7 Ca 0.15 0.62 -0.31 0.00 -2.02 0.00 0.00 58.31 56.76 1cey n LYS 7 Cb 0.44 -2.58 -0.10 0.00 -0.02 0.00 0.00 35.03 32.77 1cey n LYS 7 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1cey s PHE 8 N 4.98 2.78 -0.27 2.13 0.40 -1.03 -1.49 117.98 125.48 1cey s PHE 8 Ca 0.98 -0.13 0.02 0.00 -0.60 0.00 0.00 56.93 57.21 1cey s PHE 8 Cb -0.75 -1.49 0.07 0.00 0.51 0.00 0.00 43.02 41.35 1cey s PHE 8 CO 0.52 0.40 -0.07 -1.17 0.70 0.00 0.00 175.22 175.60 1cey s LEU 9 N -1.90 3.40 -0.53 -0.37 2.96 -0.83 -1.60 118.68 119.81 1cey s LEU 9 Ca 0.20 -1.46 -0.20 0.00 -0.22 0.00 0.00 54.13 52.45 1cey s LEU 9 Cb -0.11 -1.45 0.06 0.00 0.50 0.00 0.00 46.19 45.19 1cey s LEU 9 CO 0.11 -0.23 0.70 0.68 -1.32 0.00 0.00 176.35 176.28 1cey s VAL 10 N 1.16 4.77 -0.32 1.68 -7.23 -1.05 -0.62 120.40 118.79 1cey s VAL 10 Ca -0.05 -0.46 -0.01 0.00 -1.81 0.00 0.00 61.98 59.66 1cey s VAL 10 Cb -0.20 -4.38 0.24 0.00 0.56 0.00 0.00 36.38 32.61 1cey s VAL 10 CO -0.06 -0.92 1.94 0.52 -0.31 0.00 0.00 175.10 176.27 1cey n VAL 11 N 5.70 2.72 -3.40 1.32 0.31 -0.99 -2.28 118.33 121.70 1cey n VAL 11 Ca -0.06 -1.61 -0.34 0.00 -0.01 0.00 0.00 64.34 62.33 1cey n VAL 11 Cb 0.45 -1.25 -0.06 0.00 -0.91 0.00 0.00 33.84 32.08 1cey n VAL 11 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 1cey s ASP 12 N 0.06 6.73 -0.00 4.52 -4.77 -1.24 -4.34 116.67 117.62 1cey s ASP 12 Ca 0.32 0.99 0.22 0.00 -3.30 0.00 0.00 52.55 50.77 1cey s ASP 12 Cb 0.25 -2.25 -0.20 0.00 -1.09 0.00 0.00 42.92 39.63 1cey s ASP 12 CO 0.00 0.04 0.80 -0.67 0.70 0.00 0.00 175.17 176.04 1cey n ASP 13 N 0.43 0.61 -4.76 2.11 2.03 -1.26 -4.67 116.55 111.03 1cey n ASP 13 Ca -0.03 -0.53 -0.41 0.00 0.52 0.00 0.00 54.79 54.33 1cey n ASP 13 Cb 0.52 1.26 -0.01 0.00 -0.72 0.00 0.00 41.12 42.17 1cey n ASP 13 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1cey s PHE 14 N -3.20 2.70 -1.03 -0.67 0.40 -1.26 -4.86 117.98 110.06 1cey s PHE 14 Ca 0.02 1.01 0.07 0.00 -0.60 0.00 0.00 56.93 57.43 1cey s PHE 14 Cb 0.15 -4.02 0.32 0.00 0.51 0.00 0.00 43.02 39.98 1cey s PHE 14 CO 0.87 -3.18 1.06 0.45 0.70 0.00 0.00 175.22 175.12 1cey n SER 15 N 1.31 2.59 0.00 1.36 2.88 -1.26 -4.07 113.62 116.43 1cey n SER 15 Ca 0.04 -2.28 0.00 0.00 -1.33 0.00 0.00 58.87 55.30 1cey n SER 15 Cb 0.39 -0.48 0.00 0.00 -0.75 0.00 0.00 64.21 63.37 1cey n SER 15 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1cey n THR 16 N 0.29 0.00 -0.28 2.46 -2.24 -1.26 -4.80 114.28 108.44 1cey n THR 16 Ca 0.11 0.00 0.22 0.00 -2.27 0.00 0.00 64.05 62.11 1cey n THR 16 Cb 0.54 -0.09 0.54 0.00 -2.10 0.00 0.00 70.33 69.22 1cey n THR 16 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 1cey h MET 17 N 0.00 0.34 -0.17 -0.78 -1.53 -1.97 0.41 114.93 111.23 1cey h MET 17 Ca 0.00 -0.02 -0.01 0.00 -3.44 0.00 0.00 59.70 56.23 1cey h MET 17 Cb 0.08 -0.08 -0.01 0.00 -0.55 0.00 0.00 31.60 31.04 1cey h MET 17 CO 0.00 0.23 0.07 0.07 0.14 0.00 0.00 176.91 177.41 1cey h ARG 18 N 0.35 0.25 -0.72 0.39 0.11 -1.88 -2.52 114.38 110.36 1cey h ARG 18 Ca 0.53 -0.05 0.17 0.00 0.10 0.00 0.00 59.98 60.74 1cey h ARG 18 Cb 1.43 -0.04 -0.04 0.00 1.11 0.00 0.00 29.97 32.42 1cey h ARG 18 CO -0.21 0.33 0.50 -0.09 0.10 0.00 0.00 179.97 180.60 1cey h ARG 19 N 0.12 0.23 0.31 0.08 2.43 -1.23 -0.40 114.38 115.93 1cey h ARG 19 Ca 0.06 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 1cey h ARG 19 Cb 0.18 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1cey h ARG 19 CO -0.00 0.15 -0.15 0.82 -1.51 0.00 0.00 179.97 179.28 1cey h ILE 20 N 0.24 0.71 -0.08 1.20 5.03 -1.28 -3.09 117.51 120.24 1cey h ILE 20 Ca 0.35 -0.41 -0.09 0.00 -0.12 0.00 0.00 64.86 64.60 1cey h ILE 20 Cb 1.04 0.93 -0.01 0.00 -3.03 0.00 0.00 36.82 35.75 1cey h ILE 20 CO -0.08 0.08 -0.35 -0.37 -0.68 0.00 0.00 178.15 176.76 1cey h VAL 21 N -0.64 1.27 -0.40 1.67 -1.51 -1.31 -2.58 116.25 112.76 1cey h VAL 21 Ca -0.04 -1.31 0.08 0.00 -1.23 0.00 0.00 66.70 64.20 1cey h VAL 21 Cb 0.46 1.60 -0.09 0.00 -2.13 0.00 0.00 31.29 31.13 1cey h VAL 21 CO 0.07 0.39 -0.31 0.03 -1.23 0.00 0.00 177.57 176.52 1cey h ARG 22 N 0.14 -0.23 0.48 5.19 -0.00 -1.01 0.15 114.38 119.11 1cey h ARG 22 Ca 0.02 0.02 -0.02 0.00 -0.50 0.00 0.00 59.98 59.49 1cey h ARG 22 Cb 0.69 0.05 0.00 0.00 0.00 0.00 0.00 29.97 30.71 1cey h ARG 22 CO 0.05 -0.15 -0.23 -0.97 0.00 0.00 0.00 179.97 178.67 1cey h ASN 23 N -0.24 -0.55 -0.99 7.04 -0.73 -1.54 -2.34 115.58 116.24 1cey h ASN 23 Ca 0.18 -0.01 0.17 0.00 1.87 0.00 0.00 56.30 58.51 1cey h ASN 23 Cb 0.53 0.14 -0.17 0.00 0.27 0.00 0.00 38.32 39.09 1cey h ASN 23 CO -0.53 -0.13 -0.34 0.25 -0.37 0.00 0.00 177.43 176.31 1cey h LEU 24 N -1.15 -1.25 0.02 0.34 6.46 -1.24 0.67 115.31 119.15 1cey h LEU 24 Ca -0.07 0.30 -0.00 0.00 -0.12 0.00 0.00 57.88 58.00 1cey h LEU 24 Cb 0.53 0.70 0.00 0.00 -0.73 0.00 0.00 40.66 41.16 1cey h LEU 24 CO 0.11 -0.30 -0.01 -0.07 -0.62 0.00 0.00 178.44 177.55 1cey h LEU 25 N -0.00 -0.02 -1.93 2.25 3.38 -0.76 -1.94 115.31 116.28 1cey h LEU 25 Ca 0.39 -0.13 0.13 0.00 0.09 0.00 0.00 57.88 58.36 1cey h LEU 25 Cb 0.64 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1cey h LEU 25 CO -0.99 0.11 0.35 0.50 0.09 0.00 0.00 178.44 178.49 1cey h LYS 26 N -0.16 0.07 -0.17 1.13 3.64 0.14 0.18 116.57 121.41 1cey h LYS 26 Ca -0.00 -0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.42 1cey h LYS 26 Cb 0.15 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1cey h LYS 26 CO 0.00 0.05 0.14 1.49 -2.27 0.00 0.00 179.45 178.86 1cey h GLU 27 N 0.08 0.00 0.12 1.90 4.81 0.95 -2.00 114.58 120.43 1cey h GLU 27 Ca 0.23 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 59.12 1cey h GLU 27 Cb 0.82 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 1cey h GLU 27 CO -0.02 0.00 -1.78 -0.07 -0.73 0.00 0.00 179.01 176.41 1cey h LEU 28 N 0.00 0.41 0.00 1.64 3.38 -0.66 -3.48 115.31 116.59 1cey h LEU 28 Ca 0.08 -0.72 0.00 0.00 0.09 0.00 0.00 57.88 57.33 1cey h LEU 28 Cb 0.36 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1cey h LEU 28 CO -0.00 1.62 0.00 0.61 0.09 0.00 0.00 178.44 180.76 1cey n GLY 29 N 1.82 -0.91 3.81 0.83 0.00 -0.75 -5.01 105.19 104.98 1cey n GLY 29 Ca -0.24 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 1cey n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cey s PHE 30 N -0.07 3.79 -0.41 1.61 0.08 -1.17 -3.87 117.98 117.93 1cey s PHE 30 Ca 0.00 1.23 0.09 0.00 0.12 0.00 0.00 56.93 58.37 1cey s PHE 30 Cb 0.00 -2.47 0.31 0.00 -0.57 0.00 0.00 43.02 40.29 1cey s PHE 30 CO 0.00 0.59 0.83 0.27 -0.10 0.00 0.00 175.22 176.80 1cey n ASN 31 N 1.78 -0.65 -3.15 1.36 0.23 -1.03 -3.55 115.26 110.26 1cey n ASN 31 Ca -0.11 -3.19 0.06 0.00 -0.53 0.00 0.00 54.58 50.81 1cey n ASN 31 Cb 0.51 0.41 -0.01 0.00 -2.08 0.00 0.00 39.78 38.61 1cey n ASN 31 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 1cey s ASN 32 N -1.79 -0.26 0.35 0.53 2.47 -1.26 -4.93 114.94 110.04 1cey s ASN 32 Ca 0.33 0.10 -0.01 0.00 0.42 0.00 0.00 52.86 53.70 1cey s ASN 32 Cb 0.29 1.19 0.00 0.00 -1.45 0.00 0.00 41.25 41.28 1cey s ASN 32 CO -0.10 -0.05 0.46 0.68 -3.72 0.00 0.00 177.10 174.38 1cey s VAL 33 N 2.97 0.00 0.01 -5.21 -7.23 -1.26 -2.46 120.40 107.22 1cey s VAL 33 Ca 0.10 -1.64 0.00 0.00 -1.81 0.00 0.00 61.98 58.63 1cey s VAL 33 Cb -0.06 -2.66 -0.00 0.00 0.56 0.00 0.00 36.38 34.23 1cey s VAL 33 CO -0.15 0.00 0.01 -0.62 -0.31 0.00 0.00 175.10 174.03 1cey n GLU 34 N -0.59 0.28 -3.93 4.82 -0.58 -0.63 -4.93 120.64 115.08 1cey n GLU 34 Ca 0.02 -0.13 -0.10 0.00 -0.42 0.00 0.00 57.16 56.53 1cey n GLU 34 Cb 0.61 0.09 -0.11 0.00 -0.57 0.00 0.00 31.44 31.47 1cey n GLU 34 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1cey s GLU 35 N -2.05 0.37 0.10 3.49 2.02 -1.26 -2.54 118.70 118.84 1cey s GLU 35 Ca 0.01 -0.51 -0.01 0.00 0.02 0.00 0.00 54.97 54.49 1cey s GLU 35 Cb 0.00 0.15 0.00 0.00 0.10 0.00 0.00 34.13 34.38 1cey s GLU 35 CO 0.01 -0.08 0.15 0.00 0.02 0.00 0.00 175.26 175.37 1cey n ALA 36 N 1.58 -0.15 -1.43 5.21 0.00 -0.97 -4.91 120.51 119.83 1cey n ALA 36 Ca -0.23 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1cey n ALA 36 Cb 0.55 0.37 0.00 0.00 0.00 0.00 0.00 19.45 20.38 1cey n ALA 36 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1cey n GLU 37 N -0.17 0.00 0.00 0.00 0.28 -1.26 -3.70 120.64 115.79 1cey n GLU 37 Ca -0.00 -0.20 0.00 0.00 -0.16 0.00 0.00 57.16 56.80 1cey n GLU 37 Cb 0.17 -0.28 0.00 0.00 1.43 0.00 0.00 31.44 32.76 1cey n GLU 37 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1cey n ASP 38 N 0.00 0.00 -0.12 -1.84 -0.08 -1.26 -4.22 116.55 109.03 1cey n ASP 38 Ca 0.00 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.16 1cey n ASP 38 Cb 0.43 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.88 1cey n ASP 38 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1cey h GLY 39 N 0.00 1.00 0.47 0.27 0.00 -1.95 1.16 103.07 104.01 1cey h GLY 39 Ca 0.00 -0.99 0.12 0.00 0.00 0.00 0.00 47.33 46.45 1cey h GLY 39 CO 0.00 0.90 0.58 -2.08 0.00 0.00 0.00 176.54 175.94 1cey h VAL 40 N 0.76 0.90 0.17 4.60 2.07 -1.96 2.10 116.25 124.90 1cey h VAL 40 Ca 0.07 -0.32 -0.24 0.00 0.82 0.00 0.00 66.70 67.03 1cey h VAL 40 Cb 0.93 -0.10 0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1cey h VAL 40 CO 0.09 0.17 -1.09 -0.78 0.02 0.00 0.00 177.57 175.98 1cey h ASP 41 N 0.92 0.55 0.25 0.57 1.82 -1.84 -2.79 116.42 115.91 1cey h ASP 41 Ca 0.47 -0.93 -0.01 0.00 -0.39 0.00 0.00 57.03 56.17 1cey h ASP 41 Cb 0.47 -0.18 0.00 0.00 0.68 0.00 0.00 39.33 40.30 1cey h ASP 41 CO -0.27 1.51 -0.12 0.00 -1.61 0.00 0.00 179.24 178.76 1cey h ALA 42 N 0.08 -0.34 -0.93 -0.78 0.00 0.20 -0.90 119.26 116.59 1cey h ALA 42 Ca -0.20 -0.14 0.15 0.00 0.00 0.00 0.00 54.91 54.73 1cey h ALA 42 Cb 1.80 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 19.64 1cey h ALA 42 CO 0.17 -0.34 0.59 1.37 0.00 0.00 0.00 179.25 181.04 1cey h LEU 43 N -1.04 0.70 -0.15 0.00 8.10 0.32 1.26 115.31 124.51 1cey h LEU 43 Ca -0.03 0.05 -0.15 0.00 0.11 0.00 0.00 57.88 57.86 1cey h LEU 43 Cb 0.38 -0.09 0.00 0.00 -0.44 0.00 0.00 40.66 40.52 1cey h LEU 43 CO 0.06 0.34 -0.49 0.78 -4.11 0.00 0.00 178.44 175.01 1cey h ASN 44 N 0.73 0.69 1.24 0.17 4.21 -1.43 -3.07 115.58 118.11 1cey h ASN 44 Ca 0.48 -0.60 0.00 0.00 1.21 0.00 0.00 56.30 57.38 1cey h ASN 44 Cb 0.75 -0.20 0.00 0.00 -1.12 0.00 0.00 38.32 37.75 1cey h ASN 44 CO -0.24 1.17 0.00 0.29 -1.29 0.00 0.00 177.43 177.37 1cey n LYS 45 N -4.20 0.22 0.21 0.81 4.76 -0.34 -2.98 118.16 116.64 1cey n LYS 45 Ca -0.07 0.25 0.08 0.00 -2.87 0.00 0.00 58.31 55.70 1cey n LYS 45 Cb 0.59 -1.79 0.40 0.00 -1.84 0.00 0.00 35.03 32.39 1cey n LYS 45 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1cey h LEU 46 N 0.00 0.00 0.00 -0.35 5.85 0.16 -2.26 115.31 118.71 1cey h LEU 46 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1cey h LEU 46 Cb 0.62 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.65 1cey h LEU 46 CO 0.00 0.30 0.00 1.67 -0.34 0.00 0.00 178.44 180.07 1cey n GLN 47 N -3.47 0.24 -0.04 1.25 -0.06 -1.16 -3.13 117.38 111.00 1cey n GLN 47 Ca -0.00 0.08 -0.05 0.00 -2.00 0.00 0.00 57.00 55.03 1cey n GLN 47 Cb 0.47 -1.50 -0.04 0.00 -4.06 0.00 0.00 30.24 25.11 1cey n GLN 47 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1cey h ALA 48 N 2.54 -0.48 0.00 1.69 0.00 -1.62 -3.40 119.26 117.99 1cey h ALA 48 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1cey h ALA 48 Cb 0.04 0.84 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1cey h ALA 48 CO 0.00 -0.57 -0.05 0.41 0.00 0.00 0.00 179.25 179.04 1cey n GLY 49 N -1.13 0.19 0.77 0.00 0.00 -1.24 -5.07 105.19 98.71 1cey n GLY 49 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1cey n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cey n GLY 50 N 0.00 -1.29 3.67 -0.02 0.00 -1.18 -4.95 105.19 101.42 1cey n GLY 50 Ca 0.00 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 1cey n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cey s TYR 51 N -0.09 2.03 -1.39 1.61 1.51 -1.26 -4.83 117.35 114.93 1cey s TYR 51 Ca 0.00 0.10 0.24 0.00 -1.01 0.00 0.00 57.07 56.41 1cey s TYR 51 Cb 0.00 -4.02 1.22 0.00 -0.11 0.00 0.00 41.96 39.05 1cey s TYR 51 CO 0.00 -4.27 1.81 0.41 -1.11 0.00 0.00 175.55 172.40 1cey n GLY 52 N 4.16 -1.12 3.60 0.71 0.00 -1.18 -4.73 105.19 106.64 1cey n GLY 52 Ca 0.17 -0.11 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 1cey n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1cey s PHE 53 N -2.61 -0.84 -0.09 1.61 2.19 -0.56 -3.67 117.98 114.01 1cey s PHE 53 Ca 0.22 1.92 0.00 0.00 0.33 0.00 0.00 56.93 59.40 1cey s PHE 53 Cb 0.16 0.37 0.02 0.00 -1.31 0.00 0.00 43.02 42.26 1cey s PHE 53 CO 0.38 -0.41 -0.08 0.08 1.83 0.00 0.00 175.22 177.02 1cey s VAL 54 N 0.77 0.94 -0.54 3.12 1.01 -1.11 -1.96 120.40 122.63 1cey s VAL 54 Ca -0.03 -0.28 -0.06 0.00 0.00 0.00 0.00 61.98 61.60 1cey s VAL 54 Cb -0.05 -0.94 0.14 0.00 0.00 0.00 0.00 36.38 35.53 1cey s VAL 54 CO -0.06 0.34 0.39 -0.63 0.00 0.00 0.00 175.10 175.14 1cey s ILE 55 N 1.34 4.01 0.04 2.22 1.01 0.21 -2.31 121.20 127.73 1cey s ILE 55 Ca -0.02 -2.28 0.06 0.00 0.00 0.00 0.00 60.65 58.41 1cey s ILE 55 Cb -0.14 -3.63 -0.03 0.00 0.01 0.00 0.00 42.46 38.67 1cey s ILE 55 CO -0.04 -0.82 -0.16 -0.44 0.00 0.00 0.00 174.94 173.49 1cey s SER 56 N 1.83 3.98 0.25 3.58 0.01 -1.26 -2.36 113.70 119.73 1cey s SER 56 Ca 0.11 -0.38 0.00 0.00 1.31 0.00 0.00 55.95 56.99 1cey s SER 56 Cb -0.22 -0.70 0.00 0.00 0.21 0.00 0.00 66.02 65.31 1cey s SER 56 CO -0.03 0.25 0.00 -0.67 0.41 0.00 0.00 173.24 173.20 1cey n ASP 57 N 1.48 0.00 -0.05 2.44 2.03 -1.26 -2.32 116.55 118.87 1cey n ASP 57 Ca -0.16 -0.26 -0.01 0.00 0.52 0.00 0.00 54.79 54.88 1cey n ASP 57 Cb 0.52 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.79 1cey n ASP 57 CO 0.00 0.00 0.00 1.87 -1.92 0.00 0.00 177.20 177.15 1cey n TRP 58 N -0.51 0.00 -3.64 -0.67 -0.00 -1.24 -4.59 117.44 106.81 1cey n TRP 58 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 57.50 57.13 1cey n TRP 58 Cb 0.00 -0.65 -0.07 0.00 -0.00 0.00 0.00 31.31 30.59 1cey n TRP 58 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 1cey s ASN 59 N -4.63 6.50 0.11 5.87 3.84 -1.26 -3.09 114.94 122.28 1cey s ASN 59 Ca -0.07 0.59 0.03 0.00 0.21 0.00 0.00 52.86 53.62 1cey s ASN 59 Cb 0.07 -2.16 -0.04 0.00 -0.55 0.00 0.00 41.25 38.57 1cey s ASN 59 CO 0.70 0.25 -0.08 -0.04 -2.79 0.00 0.00 177.10 175.14 1cey s MET 60 N -0.35 0.91 0.01 0.43 -1.94 -1.26 -4.80 119.30 112.31 1cey s MET 60 Ca 0.17 -1.35 -0.05 0.00 -1.71 0.00 0.00 55.69 52.76 1cey s MET 60 Cb -0.13 -0.40 -0.02 0.00 2.01 0.00 0.00 34.83 36.28 1cey s MET 60 CO 0.06 0.03 1.07 -1.35 -0.01 0.00 0.00 175.02 174.82 1cey h PRO 61 N 2.99 -0.14 0.00 2.03 0.10 -1.97 -3.43 132.00 131.58 1cey h PRO 61 Ca -0.36 0.01 0.00 0.00 0.10 0.00 0.00 66.00 65.75 1cey h PRO 61 Cb 1.18 0.03 0.00 0.00 0.10 0.00 0.00 31.00 32.31 1cey h PRO 61 CO 0.63 -0.09 0.00 0.27 0.10 0.00 0.00 178.00 178.90 1cey n ASN 62 N -2.59 0.00 -3.24 -2.05 0.23 -1.26 -4.99 115.26 101.36 1cey n ASN 62 Ca -0.02 0.00 -0.25 0.00 -0.53 0.00 0.00 54.58 53.78 1cey n ASN 62 Cb 0.06 0.00 0.23 0.00 -2.08 0.00 0.00 39.78 37.99 1cey n ASN 62 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 1cey n MET 63 N 0.00 -3.85 -2.44 -3.83 2.81 -1.26 -5.03 117.12 103.52 1cey n MET 63 Ca 0.00 -1.28 -0.23 0.00 -1.81 0.00 0.00 57.70 54.38 1cey n MET 63 Cb 0.00 -1.49 0.13 0.00 -0.71 0.00 0.00 33.22 31.15 1cey n MET 63 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 1cey n ASP 64 N -5.07 1.16 0.02 7.83 5.68 -1.26 -4.10 116.55 120.80 1cey n ASP 64 Ca 0.12 -2.03 -0.10 0.00 -0.50 0.00 0.00 54.79 52.27 1cey n ASP 64 Cb 0.49 -0.68 -0.14 0.00 -1.14 0.00 0.00 41.12 39.65 1cey n ASP 64 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1cey h GLY 65 N -0.74 0.07 -0.29 6.12 0.00 -1.79 -3.32 103.07 103.12 1cey h GLY 65 Ca -0.34 -0.18 0.28 0.00 0.00 0.00 0.00 47.33 47.10 1cey h GLY 65 CO 0.34 0.16 0.65 -2.00 0.00 0.00 0.00 176.54 175.69 1cey h LEU 66 N 0.02 0.50 -0.74 3.11 5.85 -1.85 0.90 115.31 123.10 1cey h LEU 66 Ca -0.21 0.12 -0.12 0.00 0.84 0.00 0.00 57.88 58.50 1cey h LEU 66 Cb 1.95 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 43.02 1cey h LEU 66 CO 0.11 0.04 -0.39 -0.08 -0.34 0.00 0.00 178.44 177.77 1cey h GLU 67 N 0.41 0.50 0.00 1.25 4.81 -1.98 -2.34 114.58 117.23 1cey h GLU 67 Ca 0.65 -0.24 -0.03 0.00 -0.13 0.00 0.00 59.36 59.61 1cey h GLU 67 Cb 1.55 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.93 1cey h GLU 67 CO -0.40 0.81 -0.14 -0.07 -0.73 0.00 0.00 179.01 178.48 1cey h LEU 68 N 0.41 0.00 0.11 1.64 4.07 0.67 -2.45 115.31 119.77 1cey h LEU 68 Ca 0.04 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.99 1cey h LEU 68 Cb 0.87 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.61 1cey h LEU 68 CO 0.07 0.14 -0.05 0.25 -1.08 0.00 0.00 178.44 177.77 1cey h LEU 69 N 0.00 -0.13 -1.74 1.67 5.85 -0.94 -3.26 115.31 116.75 1cey h LEU 69 Ca -0.00 0.00 0.44 0.00 0.84 0.00 0.00 57.88 59.16 1cey h LEU 69 Cb 0.30 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.28 1cey h LEU 69 CO 0.02 0.34 1.02 0.50 -0.34 0.00 0.00 178.44 179.98 1cey h LYS 70 N -1.02 0.06 0.02 1.25 3.11 -1.37 0.34 116.57 118.97 1cey h LYS 70 Ca -0.02 -0.00 0.03 0.00 -2.81 0.00 0.00 60.65 57.85 1cey h LYS 70 Cb 0.12 -0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 31.30 1cey h LYS 70 CO 0.03 0.04 -0.19 1.79 -2.81 0.00 0.00 179.45 178.30 1cey h THR 71 N 0.06 0.55 -0.69 1.00 1.35 -1.48 0.16 112.91 113.86 1cey h THR 71 Ca 0.77 0.00 0.06 0.00 -0.55 0.00 0.00 66.41 66.69 1cey h THR 71 Cb 2.78 0.55 -0.04 0.00 -1.73 0.00 0.00 68.15 69.70 1cey h THR 71 CO -0.17 0.00 0.46 0.40 -0.25 0.00 0.00 175.52 175.96 1cey h ILE 72 N -0.32 1.04 0.00 6.82 5.03 -0.42 0.66 117.51 130.31 1cey h ILE 72 Ca 0.05 -0.26 -0.08 0.00 -0.12 0.00 0.00 64.86 64.46 1cey h ILE 72 Cb 0.39 0.23 -0.01 0.00 -3.03 0.00 0.00 36.82 34.39 1cey h ILE 72 CO -0.17 0.14 -0.36 -0.09 -0.68 0.00 0.00 178.15 176.98 1cey h ARG 73 N 0.75 0.00 -1.10 2.37 2.43 -0.89 -2.78 114.38 115.15 1cey h ARG 73 Ca 0.29 0.00 0.32 0.00 -0.81 0.00 0.00 59.98 59.78 1cey h ARG 73 Cb 0.21 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.71 1cey h ARG 73 CO -0.09 0.36 0.86 0.00 -1.51 0.00 0.00 179.97 179.60 1cey h ALA 74 N 1.64 3.00 -1.03 2.80 0.00 0.17 0.30 119.26 126.13 1cey h ALA 74 Ca -0.00 -0.04 0.26 0.00 0.00 0.00 0.00 54.91 55.13 1cey h ALA 74 Cb 0.74 0.08 -0.11 0.00 0.00 0.00 0.00 17.79 18.50 1cey h ALA 74 CO 0.05 -1.43 0.64 0.22 0.00 0.00 0.00 179.25 178.73 1cey h ASP 75 N 0.00 0.56 -5.74 0.00 1.82 -1.60 -3.45 116.42 108.01 1cey h ASP 75 Ca 0.52 0.11 -0.36 0.00 -0.39 0.00 0.00 57.03 56.91 1cey h ASP 75 Cb 2.24 0.02 0.15 0.00 0.68 0.00 0.00 39.33 42.43 1cey h ASP 75 CO -0.01 0.09 -0.74 0.61 -1.61 0.00 0.00 179.24 177.59 1cey n GLY 76 N -1.39 -0.43 0.00 -0.78 0.00 0.11 -4.48 105.19 98.21 1cey n GLY 76 Ca 0.26 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1cey n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cey n ALA 77 N -4.47 0.00 -0.42 4.61 0.00 -1.26 -4.93 120.51 114.04 1cey n ALA 77 Ca -0.17 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.28 1cey n ALA 77 Cb 0.63 0.00 0.27 0.00 0.00 0.00 0.00 19.45 20.35 1cey n ALA 77 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1cey n MET 78 N 0.00 3.57 -0.28 0.00 2.81 -1.26 -4.53 117.12 117.43 1cey n MET 78 Ca 0.00 -2.28 0.00 0.00 -1.81 0.00 0.00 57.70 53.61 1cey n MET 78 Cb 0.00 -2.03 0.00 0.00 -0.71 0.00 0.00 33.22 30.48 1cey n MET 78 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1cey n SER 79 N 0.29 3.51 0.02 7.83 3.41 -1.26 -3.55 113.62 123.86 1cey n SER 79 Ca 0.24 -1.90 0.11 0.00 -0.26 0.00 0.00 58.87 57.06 1cey n SER 79 Cb 1.00 -0.72 -0.13 0.00 -0.26 0.00 0.00 64.21 64.11 1cey n SER 79 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1cey n ALA 80 N 1.39 2.72 -1.54 7.33 0.00 -1.26 -4.90 120.51 124.24 1cey n ALA 80 Ca 0.00 -0.46 -0.50 0.00 0.00 0.00 0.00 53.44 52.48 1cey n ALA 80 Cb 0.37 -0.83 -0.06 0.00 0.00 0.00 0.00 19.45 18.92 1cey n ALA 80 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1cey n LEU 81 N -2.37 2.57 -4.71 0.00 4.77 -1.23 -4.87 117.00 111.17 1cey n LEU 81 Ca -0.03 0.59 -0.39 0.00 -0.03 0.00 0.00 56.01 56.15 1cey n LEU 81 Cb 0.57 -1.30 0.04 0.00 -2.33 0.00 0.00 43.42 40.40 1cey n LEU 81 CO 0.44 -0.54 0.88 -2.65 -1.33 0.00 0.00 177.39 174.19 1cey n PRO 82 N 7.60 1.60 -4.80 3.23 -0.01 -1.24 -4.87 135.00 136.51 1cey n PRO 82 Ca 0.34 0.59 -0.26 0.00 -0.01 0.00 0.00 63.50 64.15 1cey n PRO 82 Cb 0.26 -2.45 -0.16 0.00 -0.01 0.00 0.00 33.50 31.13 1cey n PRO 82 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 175.50 175.57 1cey s VAL 83 N -1.31 1.42 -0.79 -1.45 1.01 -1.26 -2.76 120.40 115.27 1cey s VAL 83 Ca 0.70 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 62.03 1cey s VAL 83 Cb -0.44 -1.25 0.26 0.00 0.00 0.00 0.00 36.38 34.96 1cey s VAL 83 CO 0.51 0.41 0.97 -0.11 0.00 0.00 0.00 175.10 176.88 1cey n LEU 84 N 3.49 4.59 -4.32 3.92 7.94 -0.98 0.55 117.00 132.19 1cey n LEU 84 Ca -0.20 -5.36 -0.34 0.00 -1.11 0.00 0.00 56.01 49.00 1cey n LEU 84 Cb 0.52 -0.88 0.10 0.00 0.53 0.00 0.00 43.42 43.70 1cey n LEU 84 CO 0.26 1.92 -0.37 0.80 -1.11 0.00 0.00 177.39 178.88 1cey n MET 85 N 1.08 -0.21 -3.74 1.96 0.00 0.86 -4.39 117.12 112.69 1cey n MET 85 Ca 0.28 -0.03 -0.21 0.00 -0.00 0.00 0.00 57.70 57.74 1cey n MET 85 Cb 0.38 -1.66 -0.18 0.00 0.00 0.00 0.00 33.22 31.77 1cey n MET 85 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1cey s VAL 86 N -2.29 0.12 0.36 1.12 1.01 -0.98 -2.47 120.40 117.26 1cey s VAL 86 Ca 0.53 0.26 -0.04 0.00 0.00 0.00 0.00 61.98 62.73 1cey s VAL 86 Cb -0.21 -0.32 0.01 0.00 0.00 0.00 0.00 36.38 35.87 1cey s VAL 86 CO 0.71 0.21 0.53 0.28 0.00 0.00 0.00 175.10 176.83 1cey s THR 87 N 1.94 0.00 -0.06 3.92 -1.32 -1.08 -3.60 115.64 115.45 1cey s THR 87 Ca 0.03 -1.49 -0.01 0.00 -1.21 0.00 0.00 61.69 59.00 1cey s THR 87 Cb -0.12 -2.70 -0.03 0.00 -1.51 0.00 0.00 72.50 68.14 1cey s THR 87 CO -0.04 0.00 -0.06 0.00 -2.21 0.00 0.00 174.62 172.31 1cey n ALA 88 N -0.57 2.31 -0.71 11.08 0.00 -1.26 0.20 120.51 131.56 1cey n ALA 88 Ca -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1cey n ALA 88 Cb 0.61 0.41 0.00 0.00 0.00 0.00 0.00 19.45 20.47 1cey n ALA 88 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1cey n GLU 89 N -2.99 0.00 -1.95 0.00 1.02 -1.26 -4.84 120.64 110.61 1cey n GLU 89 Ca -0.10 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1cey n GLU 89 Cb 0.59 -0.88 0.00 0.00 -0.02 0.00 0.00 31.44 31.13 1cey n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1cey n ALA 90 N -0.94 -2.16 -2.73 0.62 0.00 -1.26 -5.05 120.51 108.99 1cey n ALA 90 Ca 0.00 0.42 -0.18 0.00 0.00 0.00 0.00 53.44 53.68 1cey n ALA 90 Cb 0.00 -1.31 -0.12 0.00 0.00 0.00 0.00 19.45 18.02 1cey n ALA 90 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1cey s LYS 91 N -0.91 0.77 0.27 0.00 -0.14 -1.26 -4.97 119.74 113.50 1cey s LYS 91 Ca 0.00 -0.84 -0.06 0.00 -1.36 0.00 0.00 55.97 53.71 1cey s LYS 91 Cb 0.00 -0.73 0.50 0.00 -1.68 0.00 0.00 37.83 35.92 1cey s LYS 91 CO 0.00 0.16 1.59 0.87 -0.76 0.00 0.00 175.35 177.21 1cey h LYS 92 N 4.54 0.02 0.00 1.68 1.57 -1.96 1.14 116.57 123.56 1cey h LYS 92 Ca -0.39 -0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.35 1cey h LYS 92 Cb 1.19 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 1cey h LYS 92 CO 0.41 0.02 -0.22 1.49 -0.57 0.00 0.00 179.45 180.58 1cey h GLU 93 N 0.02 0.00 0.00 3.15 4.81 -2.00 -0.36 114.58 120.21 1cey h GLU 93 Ca 0.47 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.60 1cey h GLU 93 Cb 0.82 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.19 1cey h GLU 93 CO -0.87 0.22 -1.25 -0.91 -0.73 0.00 0.00 179.01 175.47 1cey h ASN 94 N 0.00 0.00 0.82 1.04 2.35 0.57 -3.34 115.58 117.02 1cey h ASN 94 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1cey h ASN 94 Cb 0.39 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.76 1cey h ASN 94 CO 0.03 0.36 -0.81 0.40 -1.65 0.00 0.00 177.43 175.75 1cey h ILE 95 N 0.00 0.00 0.03 2.81 2.04 0.60 -3.28 117.51 119.71 1cey h ILE 95 Ca -0.10 -0.64 -0.00 0.00 1.00 0.00 0.00 64.86 65.12 1cey h ILE 95 Cb 1.36 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 38.58 1cey h ILE 95 CO 0.03 0.00 -0.02 0.40 0.00 0.00 0.00 178.15 178.56 1cey h ILE 96 N 0.00 0.00 -0.87 -0.67 2.04 -1.19 -0.90 117.51 115.92 1cey h ILE 96 Ca 0.00 -0.09 0.22 0.00 1.00 0.00 0.00 64.86 65.98 1cey h ILE 96 Cb 0.82 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.77 1cey h ILE 96 CO 0.00 0.00 0.30 0.00 0.00 0.00 0.00 178.15 178.45 1cey h ALA 97 N -1.89 1.31 0.12 1.87 0.00 -1.77 0.21 119.26 119.11 1cey h ALA 97 Ca -0.00 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1cey h ALA 97 Cb 0.03 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1cey h ALA 97 CO 0.01 -0.39 -0.06 0.00 0.00 0.00 0.00 179.25 178.81 1cey h ALA 98 N 1.72 -0.16 -0.61 0.00 0.00 -1.65 -2.38 119.26 116.18 1cey h ALA 98 Ca 0.54 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.53 1cey h ALA 98 Cb 1.04 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.81 1cey h ALA 98 CO -0.57 -0.59 0.14 0.00 0.00 0.00 0.00 179.25 178.22 1cey h ALA 99 N 0.72 0.73 0.00 0.00 0.00 0.85 0.42 119.26 121.97 1cey h ALA 99 Ca -0.02 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1cey h ALA 99 Cb 0.13 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1cey h ALA 99 CO 0.03 -0.30 0.00 0.94 0.00 0.00 0.00 179.25 179.92 1cey n GLN 100 N -5.12 0.86 -0.00 0.00 -0.06 -0.59 -2.99 117.38 109.48 1cey n GLN 100 Ca 0.09 0.00 0.05 0.00 -2.00 0.00 0.00 57.00 55.14 1cey n GLN 100 Cb 0.33 -1.19 -0.08 0.00 -4.06 0.00 0.00 30.24 25.24 1cey n GLN 100 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1cey n ALA 101 N -0.69 2.59 0.00 1.69 0.00 0.14 -4.98 120.51 119.26 1cey n ALA 101 Ca 0.08 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1cey n ALA 101 Cb 0.04 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.13 1cey n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cey n GLY 102 N 1.76 0.81 0.06 0.00 0.00 -0.83 -4.15 105.19 102.84 1cey n GLY 102 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1cey n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cey n ALA 103 N 0.00 1.11 -0.22 4.61 0.00 -0.71 -4.01 120.51 121.29 1cey n ALA 103 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.63 1cey n ALA 103 Cb 0.00 -0.77 0.32 0.00 0.00 0.00 0.00 19.45 19.00 1cey n ALA 103 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1cey n SER 104 N -0.29 0.11 -4.51 0.00 7.64 -1.26 -3.51 113.62 111.80 1cey n SER 104 Ca 0.00 0.67 -0.36 0.00 1.01 0.00 0.00 58.87 60.19 1cey n SER 104 Cb 0.00 -0.33 -0.12 0.00 -1.01 0.00 0.00 64.21 62.75 1cey n SER 104 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1cey s GLY 105 N -3.60 1.80 -0.24 0.23 0.00 0.19 -4.97 107.32 100.73 1cey s GLY 105 Ca -0.04 -0.98 -0.03 0.00 0.00 0.00 0.00 44.72 43.67 1cey s GLY 105 CO 0.39 0.32 0.23 -0.47 0.00 0.00 0.00 173.10 173.57 1cey s TYR 106 N 1.10 -0.25 -0.13 1.90 5.04 -1.23 -0.09 117.35 123.69 1cey s TYR 106 Ca 0.04 -0.05 -0.06 0.00 -2.44 0.00 0.00 57.07 54.56 1cey s TYR 106 Cb -0.14 -0.47 -0.04 0.00 0.35 0.00 0.00 41.96 41.66 1cey s TYR 106 CO 0.03 -0.73 0.08 0.54 -1.34 0.00 0.00 175.55 174.13 1cey s VAL 107 N 2.30 4.96 -0.66 3.14 0.11 -1.03 -4.98 120.40 124.24 1cey s VAL 107 Ca 0.08 0.01 -0.23 0.00 -2.93 0.00 0.00 61.98 58.91 1cey s VAL 107 Cb -0.15 -3.17 0.07 0.00 -1.53 0.00 0.00 36.38 31.60 1cey s VAL 107 CO -0.22 0.56 0.99 -0.69 -3.33 0.00 0.00 175.10 172.42 1cey s VAL 108 N -0.54 4.27 0.72 2.04 1.01 -1.26 -2.63 120.40 124.02 1cey s VAL 108 Ca 0.11 -0.29 -0.15 0.00 0.00 0.00 0.00 61.98 61.65 1cey s VAL 108 Cb -0.12 -4.70 0.04 0.00 0.00 0.00 0.00 36.38 31.60 1cey s VAL 108 CO 0.02 -1.49 1.19 -1.59 0.00 0.00 0.00 175.10 173.23 1cey s LYS 109 N 4.20 2.21 0.75 2.72 -2.85 0.53 -4.46 119.74 122.83 1cey s LYS 109 Ca 0.23 1.70 -0.11 0.00 -1.00 0.00 0.00 55.97 56.79 1cey s LYS 109 Cb -0.16 -1.85 0.04 0.00 -2.06 0.00 0.00 37.83 33.80 1cey s LYS 109 CO 0.11 -1.77 1.08 -1.25 0.10 0.00 0.00 175.35 173.61 1cey s PRO 110 N -3.96 2.50 0.11 1.78 0.05 -1.26 -4.26 135.00 129.95 1cey s PRO 110 Ca 0.73 0.85 -0.04 0.00 0.05 0.00 0.00 61.00 62.59 1cey s PRO 110 Cb -0.28 -1.95 -0.03 0.00 0.05 0.00 0.00 34.50 32.30 1cey s PRO 110 CO 0.45 -1.38 0.10 -0.59 0.05 0.00 0.00 177.00 175.63 1cey s PHE 111 N -3.07 0.53 0.06 0.56 -0.12 -1.26 -5.09 117.98 109.60 1cey s PHE 111 Ca 0.59 -0.96 0.02 0.00 -0.05 0.00 0.00 56.93 56.53 1cey s PHE 111 Cb -0.15 -0.29 -0.04 0.00 -0.63 0.00 0.00 43.02 41.92 1cey s PHE 111 CO 0.55 -0.52 0.08 0.99 -0.05 0.00 0.00 175.22 176.27 1cey s THR 112 N -3.96 4.60 0.65 -4.49 2.01 -1.26 -4.89 115.64 108.30 1cey s THR 112 Ca 0.14 -0.67 0.17 0.00 0.31 0.00 0.00 61.69 61.64 1cey s THR 112 Cb 0.06 -3.19 0.17 0.00 0.01 0.00 0.00 72.50 69.56 1cey s THR 112 CO -0.04 0.18 1.53 0.00 -0.69 0.00 0.00 174.62 175.59 1cey h ALA 113 N 3.48 1.61 0.07 7.40 0.00 -1.98 1.46 119.26 131.29 1cey h ALA 113 Ca -0.47 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.17 1cey h ALA 113 Cb 1.17 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.97 1cey h ALA 113 CO 0.65 -0.61 -1.12 0.00 0.00 0.00 0.00 179.25 178.18 1cey h ALA 114 N 0.78 0.16 0.30 0.00 0.00 -1.97 -1.16 119.26 117.36 1cey h ALA 114 Ca 0.00 -0.77 -0.01 0.00 0.00 0.00 0.00 54.91 54.13 1cey h ALA 114 Cb 1.22 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1cey h ALA 114 CO 0.00 0.80 -0.14 1.79 0.00 0.00 0.00 179.25 181.69 1cey h THR 115 N 0.22 0.00 -1.03 0.00 1.35 0.16 0.19 112.91 113.80 1cey h THR 115 Ca -0.13 -0.57 0.27 0.00 -0.55 0.00 0.00 66.41 65.43 1cey h THR 115 Cb 1.79 0.00 -0.12 0.00 -1.73 0.00 0.00 68.15 68.09 1cey h THR 115 CO 0.20 0.00 0.63 0.25 -0.25 0.00 0.00 175.52 176.35 1cey h LEU 116 N -0.97 0.56 -0.28 3.87 5.85 -1.44 0.32 115.31 123.24 1cey h LEU 116 Ca -0.04 0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 1cey h LEU 116 Cb 0.30 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1cey h LEU 116 CO 0.07 0.06 -0.07 -0.08 -0.34 0.00 0.00 178.44 178.07 1cey h GLU 117 N 0.47 0.54 -0.24 1.25 4.22 -1.16 -1.90 114.58 117.75 1cey h GLU 117 Ca 0.65 -0.21 0.07 0.00 0.08 0.00 0.00 59.36 59.95 1cey h GLU 117 Cb 1.43 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.64 1cey h GLU 117 CO -0.43 0.75 0.23 1.49 -2.18 0.00 0.00 179.01 178.87 1cey h GLU 118 N 0.29 0.00 0.00 1.92 4.81 0.28 -1.92 114.58 119.96 1cey h GLU 118 Ca 0.07 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 1cey h GLU 118 Cb 0.55 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.93 1cey h GLU 118 CO 0.03 0.00 -0.12 0.87 -0.73 0.00 0.00 179.01 179.06 1cey h LYS 119 N 0.00 0.00 -0.73 1.92 6.56 -0.81 -2.98 116.57 120.53 1cey h LYS 119 Ca 0.12 0.00 0.16 0.00 -1.06 0.00 0.00 60.65 59.86 1cey h LYS 119 Cb 0.58 0.00 -0.13 0.00 -0.57 0.00 0.00 32.23 32.11 1cey h LYS 119 CO -0.00 0.12 -0.08 1.25 -2.06 0.00 0.00 179.45 178.68 1cey h LEU 120 N -1.00 -0.48 -1.42 2.94 6.46 -1.12 0.55 115.31 121.24 1cey h LEU 120 Ca -0.01 0.20 -0.03 0.00 -0.12 0.00 0.00 57.88 57.92 1cey h LEU 120 Cb 0.21 0.38 -0.02 0.00 -0.73 0.00 0.00 40.66 40.51 1cey h LEU 120 CO -0.00 -0.20 0.05 0.78 -0.62 0.00 0.00 178.44 178.44 1cey h ASN 121 N 0.05 0.39 0.26 1.25 4.21 -1.50 0.22 115.58 120.46 1cey h ASN 121 Ca 0.38 -0.05 -0.09 0.00 1.21 0.00 0.00 56.30 57.75 1cey h ASN 121 Cb 0.63 -0.10 -0.01 0.00 -1.12 0.00 0.00 38.32 37.71 1cey h ASN 121 CO -0.69 0.42 -0.36 0.50 -1.29 0.00 0.00 177.43 176.01 1cey h LYS 122 N 0.42 0.15 0.12 0.81 1.63 0.23 -2.27 116.57 117.66 1cey h LYS 122 Ca 0.10 -0.06 -0.35 0.00 -0.85 0.00 0.00 60.65 59.49 1cey h LYS 122 Cb 0.21 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.82 1cey h LYS 122 CO 0.00 0.50 -1.86 0.82 -3.45 0.00 0.00 179.45 175.46 1cey h ILE 123 N 0.13 0.77 0.00 2.00 2.04 -0.54 -3.32 117.51 118.60 1cey h ILE 123 Ca 0.01 -2.48 0.00 0.00 1.00 0.00 0.00 64.86 63.40 1cey h ILE 123 Cb 0.70 2.57 0.00 0.00 -0.74 0.00 0.00 36.82 39.35 1cey h ILE 123 CO 0.05 0.83 0.00 0.49 0.00 0.00 0.00 178.15 179.52 1cey n PHE 124 N -3.43 0.00 0.13 1.37 3.01 0.69 -2.16 117.46 117.06 1cey n PHE 124 Ca -0.27 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.18 1cey n PHE 124 Cb 1.05 -0.18 0.13 0.00 -0.01 0.00 0.00 39.48 40.47 1cey n PHE 124 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 1cey h GLU 125 N 0.00 0.00 0.01 -1.08 4.81 -1.50 0.16 114.58 116.98 1cey h GLU 125 Ca 0.00 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.95 1cey h GLU 125 Cb 0.12 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.46 1cey h GLU 125 CO 0.00 0.65 -1.62 -0.22 -0.73 0.00 0.00 179.01 177.09 1cey h LYS 126 N 0.00 0.02 0.00 1.92 3.64 -1.64 -3.31 116.57 117.20 1cey h LYS 126 Ca -0.01 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.20 1cey h LYS 126 Cb 1.21 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.02 1cey h LYS 126 CO 0.09 0.61 -0.65 1.25 -2.27 0.00 0.00 179.45 178.48 1cey h LEU 127 N 0.01 0.00 -3.11 5.20 7.12 -1.40 -3.48 115.31 119.65 1cey h LEU 127 Ca -0.25 0.00 -0.19 0.00 0.13 0.00 0.00 57.88 57.57 1cey h LEU 127 Cb 1.98 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 42.12 1cey h LEU 127 CO 0.09 0.65 -1.00 0.61 -0.13 0.00 0.00 178.44 178.66 1cey n GLY 128 N 0.53 -0.62 0.49 3.75 0.00 0.54 -5.08 105.19 104.81 1cey n GLY 128 Ca -0.01 0.88 0.14 0.00 0.00 0.00 0.00 46.02 47.04 1cey n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35