#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 -0.81 -1.10 0.00 -0.08 -1.26 -4.81 116.55 108.48 1cey n ASP 3 Ca 0.00 0.93 0.04 0.00 -1.51 0.00 0.00 54.79 54.25 1cey n ASP 3 Cb 0.00 -1.11 0.20 0.00 2.34 0.00 0.00 41.12 42.55 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 0.63 2.76 -2.71 -0.67 5.02 -1.26 -4.08 118.16 117.84 1cey n LYS 4 Ca 0.12 -1.57 -0.04 0.00 -2.02 0.00 0.00 58.31 54.79 1cey n LYS 4 Cb 0.39 -1.76 0.09 0.00 -0.02 0.00 0.00 35.03 33.73 1cey n LYS 4 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1cey n GLU 5 N 0.39 1.36 -2.28 1.97 1.02 -1.24 -3.36 120.64 118.50 1cey n GLU 5 Ca 0.14 -2.24 -0.39 0.00 -0.02 0.00 0.00 57.16 54.65 1cey n GLU 5 Cb 0.64 -0.44 -0.02 0.00 -0.02 0.00 0.00 31.44 31.60 1cey n GLU 5 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1cey s LEU 6 N -3.62 4.26 0.06 -4.62 2.96 -1.26 -4.85 118.68 111.61 1cey s LEU 6 Ca 0.20 2.39 -0.30 0.00 -0.22 0.00 0.00 54.13 56.20 1cey s LEU 6 Cb 0.41 -3.93 -0.05 0.00 0.50 0.00 0.00 46.19 43.12 1cey s LEU 6 CO -0.07 -0.61 1.03 -0.54 -1.32 0.00 0.00 176.35 174.84 1cey s LYS 7 N -2.15 4.57 0.08 1.98 1.02 -1.26 -4.65 119.74 119.33 1cey s LYS 7 Ca 0.55 1.53 0.09 0.00 0.02 0.00 0.00 55.97 58.16 1cey s LYS 7 Cb -0.32 -3.39 -0.03 0.00 -0.52 0.00 0.00 37.83 33.56 1cey s LYS 7 CO 0.41 -0.01 -0.23 -0.06 -0.92 0.00 0.00 175.35 174.54 1cey s PHE 8 N 0.62 2.00 -0.22 3.18 0.40 -1.05 -0.42 117.98 122.49 1cey s PHE 8 Ca 0.52 -0.40 0.00 0.00 -0.60 0.00 0.00 56.93 56.45 1cey s PHE 8 Cb -0.24 -1.14 0.06 0.00 0.51 0.00 0.00 43.02 42.20 1cey s PHE 8 CO 0.30 0.19 -0.05 -1.17 0.70 0.00 0.00 175.22 175.19 1cey s LEU 9 N -1.61 2.30 -0.50 -0.37 2.96 -0.74 -1.82 118.68 118.90 1cey s LEU 9 Ca 0.09 -1.07 -0.18 0.00 -0.22 0.00 0.00 54.13 52.75 1cey s LEU 9 Cb -0.10 -1.09 0.06 0.00 0.50 0.00 0.00 46.19 45.57 1cey s LEU 9 CO 0.04 -0.23 0.57 0.68 -1.32 0.00 0.00 176.35 176.08 1cey s VAL 10 N 1.47 4.97 -0.68 1.68 -7.23 -1.04 -0.15 120.40 119.42 1cey s VAL 10 Ca -0.04 -0.66 -0.16 0.00 -1.81 0.00 0.00 61.98 59.31 1cey s VAL 10 Cb -0.18 -4.26 0.16 0.00 0.56 0.00 0.00 36.38 32.66 1cey s VAL 10 CO -0.07 -0.75 0.67 -0.69 -0.31 0.00 0.00 175.10 173.95 1cey s VAL 11 N 2.37 5.28 0.00 1.32 1.01 -1.06 -2.41 120.40 126.91 1cey s VAL 11 Ca 0.12 -1.80 0.00 0.00 0.00 0.00 0.00 61.98 60.30 1cey s VAL 11 Cb -0.21 -4.44 0.00 0.00 0.00 0.00 0.00 36.38 31.74 1cey s VAL 11 CO 0.10 -1.01 0.00 -0.67 0.00 0.00 0.00 175.10 173.53 1cey n ASP 12 N 5.00 0.00 0.00 3.32 -0.08 -0.88 -2.00 116.55 121.91 1cey n ASP 12 Ca -0.01 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.27 1cey n ASP 12 Cb 0.44 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.90 1cey n ASP 12 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1cey n ASP 13 N 0.00 0.00 -4.42 1.67 9.92 -1.26 -3.97 116.55 118.49 1cey n ASP 13 Ca 0.00 -1.00 -0.44 0.00 -0.53 0.00 0.00 54.79 52.82 1cey n ASP 13 Cb 0.00 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.44 1cey n ASP 13 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1cey s PHE 14 N 0.00 2.90 0.25 1.24 0.08 -1.26 -4.86 117.98 116.33 1cey s PHE 14 Ca 0.00 -0.89 0.09 0.00 0.12 0.00 0.00 56.93 56.25 1cey s PHE 14 Cb 0.00 -4.17 0.46 0.00 -0.57 0.00 0.00 43.02 38.74 1cey s PHE 14 CO 0.00 -1.47 1.12 1.03 -0.10 0.00 0.00 175.22 175.80 1cey h SER 15 N 9.25 0.00 0.23 1.36 0.87 -2.02 0.86 113.55 124.10 1cey h SER 15 Ca -0.21 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.01 1cey h SER 15 Cb 1.07 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.98 1cey h SER 15 CO 1.13 0.00 -2.02 1.07 -0.53 0.00 0.00 176.83 176.47 1cey n THR 16 N -2.05 1.61 0.22 2.23 5.66 -1.26 -4.20 114.28 116.49 1cey n THR 16 Ca -0.01 -0.73 -0.15 0.00 -3.05 0.00 0.00 64.05 60.11 1cey n THR 16 Cb 0.55 -1.21 -0.08 0.00 -1.55 0.00 0.00 70.33 68.04 1cey n THR 16 CO 0.00 0.00 0.00 -0.03 -3.05 0.00 0.00 175.07 171.99 1cey h MET 17 N 0.02 -0.70 -1.16 1.09 -1.53 0.37 -1.06 114.93 111.96 1cey h MET 17 Ca -0.41 0.05 0.33 0.00 -3.44 0.00 0.00 59.70 56.23 1cey h MET 17 Cb 2.05 0.16 -0.10 0.00 -0.55 0.00 0.00 31.60 33.16 1cey h MET 17 CO 0.05 -0.47 0.76 0.07 0.14 0.00 0.00 176.91 177.46 1cey h ARG 18 N -0.73 0.23 -0.11 0.39 0.11 -1.74 0.59 114.38 113.12 1cey h ARG 18 Ca -0.02 -0.01 -0.18 0.00 0.10 0.00 0.00 59.98 59.86 1cey h ARG 18 Cb 0.66 -0.05 -0.00 0.00 1.11 0.00 0.00 29.97 31.69 1cey h ARG 18 CO -0.07 0.15 -0.70 -0.09 0.10 0.00 0.00 179.97 179.37 1cey h ARG 19 N 0.24 0.47 0.30 0.08 2.43 -1.39 -2.21 114.38 114.30 1cey h ARG 19 Ca 0.66 -0.36 -0.01 0.00 -0.81 0.00 0.00 59.98 59.46 1cey h ARG 19 Cb 1.97 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 31.59 1cey h ARG 19 CO -0.29 0.99 -0.14 0.82 -1.51 0.00 0.00 179.97 179.84 1cey h ILE 20 N 0.33 0.73 -0.27 1.20 5.03 0.97 -2.92 117.51 122.58 1cey h ILE 20 Ca -0.02 -0.48 -0.01 0.00 -0.12 0.00 0.00 64.86 64.23 1cey h ILE 20 Cb 1.27 0.98 -0.01 0.00 -3.03 0.00 0.00 36.82 36.02 1cey h ILE 20 CO 0.12 0.10 0.13 -0.37 -0.68 0.00 0.00 178.15 177.45 1cey h VAL 21 N -0.67 1.10 -0.26 1.67 -1.51 -1.44 -1.97 116.25 113.17 1cey h VAL 21 Ca -0.04 -0.28 0.06 0.00 -1.23 0.00 0.00 66.70 65.21 1cey h VAL 21 Cb 0.47 0.76 -0.07 0.00 -2.13 0.00 0.00 31.29 30.31 1cey h VAL 21 CO 0.07 0.11 -0.27 0.03 -1.23 0.00 0.00 177.57 176.28 1cey h ARG 22 N 0.37 -0.26 0.55 5.19 3.08 -1.20 0.19 114.38 122.31 1cey h ARG 22 Ca 0.10 0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.14 1cey h ARG 22 Cb 0.05 0.06 0.01 0.00 0.08 0.00 0.00 29.97 30.16 1cey h ARG 22 CO -0.01 -0.17 -0.26 -0.97 -1.07 0.00 0.00 179.97 177.48 1cey h ASN 23 N -0.27 -0.63 -0.98 7.04 -0.00 -1.40 -0.91 115.58 118.44 1cey h ASN 23 Ca 0.14 -0.04 0.31 0.00 -0.00 0.00 0.00 56.30 56.71 1cey h ASN 23 Cb 0.49 0.16 -0.18 0.00 -0.00 0.00 0.00 38.32 38.79 1cey h ASN 23 CO -0.42 -0.25 0.22 0.25 -0.00 0.00 0.00 177.43 177.24 1cey h LEU 24 N -1.08 -0.15 -0.13 0.34 6.46 -1.10 0.96 115.31 120.60 1cey h LEU 24 Ca -0.08 0.26 -0.18 0.00 -0.12 0.00 0.00 57.88 57.76 1cey h LEU 24 Cb 0.63 0.39 0.01 0.00 -0.73 0.00 0.00 40.66 40.95 1cey h LEU 24 CO 0.12 -0.35 -0.63 -0.07 -0.62 0.00 0.00 178.44 176.90 1cey h LEU 25 N 0.04 0.78 -1.90 2.25 3.38 -0.55 -3.00 115.31 116.30 1cey h LEU 25 Ca 0.67 -0.63 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1cey h LEU 25 Cb 1.53 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 42.04 1cey h LEU 25 CO -0.83 1.29 -0.11 0.50 0.09 0.00 0.00 178.44 179.37 1cey h LYS 26 N 0.32 0.00 -0.60 1.13 3.11 0.21 -1.76 116.57 118.98 1cey h LYS 26 Ca -0.04 0.00 0.01 0.00 -2.81 0.00 0.00 60.65 57.81 1cey h LYS 26 Cb 1.27 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 32.47 1cey h LYS 26 CO 0.13 0.11 0.40 1.49 -2.81 0.00 0.00 179.45 178.77 1cey h GLU 27 N 0.00 0.78 0.00 1.90 4.57 0.33 -3.17 114.58 118.99 1cey h GLU 27 Ca -0.00 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1cey h GLU 27 Cb 0.23 -0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 28.64 1cey h GLU 27 CO 0.01 0.52 -0.06 1.25 -1.18 0.00 0.00 179.01 179.55 1cey h LEU 28 N 0.80 0.00 0.00 1.64 7.12 -1.41 -3.49 115.31 119.97 1cey h LEU 28 Ca 0.22 -0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.19 1cey h LEU 28 Cb -0.07 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.06 1cey h LEU 28 CO -0.05 0.55 0.00 0.61 -0.13 0.00 0.00 178.44 179.42 1cey n GLY 29 N 1.75 -1.42 3.25 3.75 0.00 -0.95 -5.10 105.19 106.47 1cey n GLY 29 Ca -0.01 0.58 -0.13 0.00 0.00 0.00 0.00 46.02 46.46 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 0.00 -0.31 -0.42 1.61 0.08 -1.21 -3.71 117.98 114.01 1cey s PHE 30 Ca 0.00 0.66 0.08 0.00 0.12 0.00 0.00 56.93 57.79 1cey s PHE 30 Cb 0.00 0.12 0.31 0.00 -0.57 0.00 0.00 43.02 42.88 1cey s PHE 30 CO 0.00 -0.28 0.86 -1.71 -0.10 0.00 0.00 175.22 173.98 1cey n ASN 31 N 2.15 -0.96 -3.15 1.36 2.85 -1.26 -4.23 115.26 112.02 1cey n ASN 31 Ca -0.17 -3.25 0.05 0.00 -0.11 0.00 0.00 54.58 51.11 1cey n ASN 31 Cb 0.57 0.65 -0.00 0.00 1.24 0.00 0.00 39.78 42.23 1cey n ASN 31 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 1cey s ASN 32 N -1.72 -0.53 0.01 1.20 2.47 -1.26 -5.04 114.94 110.07 1cey s ASN 32 Ca 0.32 0.08 -0.15 0.00 0.42 0.00 0.00 52.86 53.53 1cey s ASN 32 Cb 0.28 1.34 0.02 0.00 -1.45 0.00 0.00 41.25 41.45 1cey s ASN 32 CO -0.10 -0.10 0.32 0.54 -3.72 0.00 0.00 177.10 174.04 1cey s VAL 33 N 2.95 0.07 0.18 -5.21 0.11 -1.26 -2.52 120.40 114.70 1cey s VAL 33 Ca 0.24 -0.55 0.00 0.00 -2.93 0.00 0.00 61.98 58.73 1cey s VAL 33 Cb -0.03 -0.78 -0.00 0.00 -1.53 0.00 0.00 36.38 34.04 1cey s VAL 33 CO -0.22 -0.30 0.00 -0.62 -3.33 0.00 0.00 175.10 170.63 1cey n GLU 34 N 0.92 1.53 -3.89 1.54 -0.58 -0.76 -4.98 120.64 114.43 1cey n GLU 34 Ca -0.20 -1.29 -0.10 0.00 -0.42 0.00 0.00 57.16 55.15 1cey n GLU 34 Cb 0.58 0.36 -0.09 0.00 -0.57 0.00 0.00 31.44 31.72 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 -2.63 0.65 0.10 3.49 8.01 -1.26 -2.50 118.70 124.55 1cey s GLU 35 Ca 0.00 -0.70 -0.01 0.00 0.01 0.00 0.00 54.97 54.27 1cey s GLU 35 Cb 0.00 0.26 0.00 0.00 -4.31 0.00 0.00 34.13 30.09 1cey s GLU 35 CO 0.00 -0.18 0.15 0.00 0.01 0.00 0.00 175.26 175.25 1cey n ALA 36 N 0.69 -0.14 -1.25 5.21 0.00 -1.01 -4.95 120.51 119.05 1cey n ALA 36 Ca -0.19 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.80 1cey n ALA 36 Cb 0.59 0.36 0.00 0.00 0.00 0.00 0.00 19.45 20.40 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 -0.16 0.00 -3.58 0.00 0.28 -1.25 -2.07 120.64 113.85 1cey n GLU 37 Ca -0.00 -0.32 0.02 0.00 -0.16 0.00 0.00 57.16 56.70 1cey n GLU 37 Cb 0.17 -0.37 -0.01 0.00 1.43 0.00 0.00 31.44 32.66 1cey n GLU 37 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1cey s ASP 38 N 0.00 -0.01 0.53 -1.84 2.15 -1.26 -4.86 116.67 111.38 1cey s ASP 38 Ca 0.00 -0.02 0.26 0.00 0.43 0.00 0.00 52.55 53.23 1cey s ASP 38 Cb 0.00 0.02 1.48 0.00 -0.30 0.00 0.00 42.92 44.13 1cey s ASP 38 CO 0.00 -0.04 2.11 1.23 -0.17 0.00 0.00 175.17 178.30 1cey h GLY 39 N 2.00 0.00 1.11 2.66 0.00 -1.98 0.11 103.07 106.97 1cey h GLY 39 Ca -0.26 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 46.87 1cey h GLY 39 CO 0.27 0.00 -0.63 -2.08 0.00 0.00 0.00 176.54 174.10 1cey h VAL 40 N 0.00 1.29 -0.17 4.60 2.07 -1.97 0.55 116.25 122.62 1cey h VAL 40 Ca -0.00 -1.83 -0.07 0.00 0.82 0.00 0.00 66.70 65.62 1cey h VAL 40 Cb 0.25 1.86 -0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1cey h VAL 40 CO 0.01 0.58 -0.16 -0.78 0.02 0.00 0.00 177.57 177.24 1cey h ASP 41 N 0.52 0.44 -0.51 0.57 1.82 -1.68 -2.50 116.42 115.08 1cey h ASP 41 Ca -0.02 -0.47 -0.10 0.00 -0.39 0.00 0.00 57.03 56.04 1cey h ASP 41 Cb 1.25 -0.12 -0.02 0.00 0.68 0.00 0.00 39.33 41.12 1cey h ASP 41 CO 0.13 0.82 -0.07 0.00 -1.61 0.00 0.00 179.24 178.52 1cey h ALA 42 N 0.63 0.85 -0.81 -0.78 0.00 -0.81 0.29 119.26 118.63 1cey h ALA 42 Ca 0.03 -0.33 0.06 0.00 0.00 0.00 0.00 54.91 54.67 1cey h ALA 42 Cb 0.70 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 1cey h ALA 42 CO 0.04 0.66 0.53 1.25 0.00 0.00 0.00 179.25 181.73 1cey h LEU 43 N 0.89 0.77 0.08 0.00 5.85 0.21 2.19 115.31 125.30 1cey h LEU 43 Ca 0.15 0.00 -0.31 0.00 0.84 0.00 0.00 57.88 58.56 1cey h LEU 43 Cb 0.62 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 1cey h LEU 43 CO 0.04 0.50 -1.65 0.78 -0.34 0.00 0.00 178.44 177.77 1cey h ASN 44 N 0.88 0.27 0.00 1.25 2.35 -1.07 -3.30 115.58 115.96 1cey h ASN 44 Ca 0.35 -0.46 -0.14 0.00 -0.55 0.00 0.00 56.30 55.50 1cey h ASN 44 Cb 0.23 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 1cey h ASN 44 CO -0.12 1.40 -0.97 0.11 -1.65 0.00 0.00 177.43 176.20 1cey h LYS 45 N 0.05 0.00 -0.73 0.81 1.79 0.04 -3.36 116.57 115.18 1cey h LYS 45 Ca -0.28 0.00 0.21 0.00 -2.18 0.00 0.00 60.65 58.40 1cey h LYS 45 Cb 2.01 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 32.63 1cey h LYS 45 CO 0.12 0.60 0.66 1.25 -1.08 0.00 0.00 179.45 181.00 1cey h LEU 46 N -1.00 0.00 0.00 2.94 6.46 0.34 1.04 115.31 125.09 1cey h LEU 46 Ca -0.21 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.55 1cey h LEU 46 Cb 0.99 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.92 1cey h LEU 46 CO -0.13 0.00 0.00 1.67 -0.62 0.00 0.00 178.44 179.36 1cey n GLN 47 N -3.85 0.48 -0.01 1.25 0.00 -1.19 -3.94 117.38 110.12 1cey n GLN 47 Ca 0.15 0.00 -0.02 0.00 -0.00 0.00 0.00 57.00 57.13 1cey n GLN 47 Cb 0.92 -1.09 -0.01 0.00 0.00 0.00 0.00 30.24 30.06 1cey n GLN 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1cey h ALA 48 N 2.14 -0.40 0.00 1.69 0.00 0.92 -3.41 119.26 120.21 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 0.00 0.72 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1cey h ALA 48 CO 0.00 -0.43 -0.03 0.41 0.00 0.00 0.00 179.25 179.20 1cey n GLY 49 N -1.05 0.93 0.33 0.00 0.00 -1.26 -5.08 105.19 99.06 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 -0.49 3.60 -0.02 0.00 -1.25 -4.97 105.19 102.05 1cey n GLY 50 Ca 0.00 -0.73 -0.43 0.00 0.00 0.00 0.00 46.02 44.86 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 0.00 2.79 -0.04 1.61 1.51 -1.26 -4.84 117.35 117.11 1cey s TYR 51 Ca 0.00 0.73 0.15 0.00 -1.01 0.00 0.00 57.07 56.94 1cey s TYR 51 Cb 0.00 -4.39 0.80 0.00 -0.11 0.00 0.00 41.96 38.26 1cey s TYR 51 CO 0.00 -1.32 1.37 0.41 -1.11 0.00 0.00 175.55 174.90 1cey n GLY 52 N 4.82 -0.67 3.42 0.71 0.00 -1.23 -4.51 105.19 107.73 1cey n GLY 52 Ca 0.12 0.14 -0.15 0.00 0.00 0.00 0.00 46.02 46.13 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 -3.36 -0.52 -0.06 1.61 5.36 0.44 -3.91 117.98 117.54 1cey s PHE 53 Ca -0.02 1.06 -0.03 0.00 -0.96 0.00 0.00 56.93 56.98 1cey s PHE 53 Cb 0.04 0.25 0.04 0.00 -0.34 0.00 0.00 43.02 43.01 1cey s PHE 53 CO 0.13 -0.43 0.12 0.08 -1.46 0.00 0.00 175.22 173.66 1cey s VAL 54 N -0.63 -0.19 -1.05 3.12 1.01 -1.01 -1.79 120.40 119.87 1cey s VAL 54 Ca -0.07 0.38 -0.06 0.00 0.00 0.00 0.00 61.98 62.23 1cey s VAL 54 Cb -0.03 -0.23 0.27 0.00 0.00 0.00 0.00 36.38 36.39 1cey s VAL 54 CO 0.05 0.16 1.09 -0.38 0.00 0.00 0.00 175.10 176.02 1cey n ILE 55 N 5.27 4.27 -3.12 2.22 5.41 0.79 -1.43 119.36 132.77 1cey n ILE 55 Ca -0.05 -5.41 -0.32 0.00 1.00 0.00 0.00 62.75 57.97 1cey n ILE 55 Cb 0.50 -2.44 -0.06 0.00 -0.71 0.00 0.00 39.64 36.93 1cey n ILE 55 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1cey s SER 56 N 0.34 6.78 0.67 4.38 1.04 -1.24 -2.55 113.70 123.11 1cey s SER 56 Ca 0.31 1.30 0.03 0.00 0.48 0.00 0.00 55.95 58.06 1cey s SER 56 Cb -0.06 -2.38 0.12 0.00 0.10 0.00 0.00 66.02 63.79 1cey s SER 56 CO -0.06 -0.21 0.93 -0.62 0.98 0.00 0.00 173.24 174.26 1cey s ASP 57 N -2.27 4.58 -0.49 7.02 2.15 -0.85 -0.47 116.67 126.35 1cey s ASP 57 Ca 0.55 -0.54 0.04 0.00 0.43 0.00 0.00 52.55 53.02 1cey s ASP 57 Cb -0.10 0.11 0.42 0.00 -0.30 0.00 0.00 42.92 43.06 1cey s ASP 57 CO 0.17 -1.70 1.38 1.87 -0.17 0.00 0.00 175.17 176.72 1cey n TRP 58 N -2.64 3.14 0.00 -5.34 -0.00 -0.54 -4.15 117.44 107.90 1cey n TRP 58 Ca 0.15 -2.72 0.00 0.00 -0.00 0.00 0.00 57.50 54.93 1cey n TRP 58 Cb 0.61 -0.48 0.00 0.00 -0.00 0.00 0.00 31.31 31.44 1cey n TRP 58 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 1cey n ASN 59 N -0.60 0.00 -2.72 5.87 2.04 -1.26 -4.83 115.26 113.76 1cey n ASN 59 Ca 0.45 0.00 -0.08 0.00 -0.44 0.00 0.00 54.58 54.51 1cey n ASN 59 Cb 0.68 0.00 0.09 0.00 -2.53 0.00 0.00 39.78 38.02 1cey n ASN 59 CO 0.00 0.00 0.00 1.15 -0.44 0.00 0.00 177.26 177.97 1cey n MET 60 N 0.00 0.88 -0.28 -3.83 0.00 -1.26 -3.85 117.12 108.77 1cey n MET 60 Ca 0.00 -1.73 -0.05 0.00 0.00 0.00 0.00 57.70 55.93 1cey n MET 60 Cb 0.00 -0.89 0.10 0.00 0.00 0.00 0.00 33.22 32.43 1cey n MET 60 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 175.97 174.97 1cey h PRO 61 N 2.86 1.17 0.00 3.17 0.13 -1.92 -3.39 132.00 134.02 1cey h PRO 61 Ca -0.14 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1cey h PRO 61 Cb 1.12 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1cey h PRO 61 CO 0.11 0.92 0.00 0.09 -0.23 0.00 0.00 178.00 178.89 1cey n ASN 62 N -4.30 0.00 0.00 1.44 4.13 -1.26 -5.05 115.26 110.23 1cey n ASN 62 Ca 0.08 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.34 1cey n ASN 62 Cb 0.16 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.40 1cey n ASN 62 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 1cey n MET 63 N -0.14 0.00 0.00 3.52 2.81 -1.26 -5.16 117.12 116.89 1cey n MET 63 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1cey n MET 63 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 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 -0.68 0.00 -0.37 7.83 5.75 -1.25 -4.13 116.55 123.69 1cey n ASP 64 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 54.79 54.79 1cey n ASP 64 Cb 0.00 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.10 1cey n ASP 64 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cey n GLY 65 N 0.00 0.35 0.06 6.12 0.00 -1.26 -4.52 105.19 105.94 1cey n GLY 65 Ca 0.00 -0.10 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 1cey n GLY 65 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1cey h LEU 66 N 0.00 -0.01 -1.64 0.99 5.85 -1.93 -2.84 115.31 115.73 1cey h LEU 66 Ca 0.00 -0.58 0.05 0.00 0.84 0.00 0.00 57.88 58.20 1cey h LEU 66 Cb 1.29 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.31 1cey h LEU 66 CO 0.00 0.78 0.52 -0.08 -0.34 0.00 0.00 178.44 179.32 1cey h GLU 67 N -0.99 0.00 0.36 1.25 4.57 -2.00 0.82 114.58 118.59 1cey h GLU 67 Ca -0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1cey h GLU 67 Cb 0.58 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.17 1cey h GLU 67 CO 0.00 0.00 -0.17 -0.07 -1.18 0.00 0.00 179.01 177.59 1cey h LEU 68 N 0.00 -0.41 -0.27 1.64 3.38 -1.88 -2.50 115.31 115.27 1cey h LEU 68 Ca 0.09 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.09 1cey h LEU 68 Cb 1.13 0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.92 1cey h LEU 68 CO -0.00 0.04 -0.50 0.25 0.09 0.00 0.00 178.44 178.32 1cey h LEU 69 N -1.12 -1.63 -0.96 1.67 6.46 -0.63 0.16 115.31 119.25 1cey h LEU 69 Ca -0.05 0.21 0.22 0.00 -0.12 0.00 0.00 57.88 58.14 1cey h LEU 69 Cb 0.39 0.66 -0.18 0.00 -0.73 0.00 0.00 40.66 40.80 1cey h LEU 69 CO 0.08 -0.39 -0.13 0.50 -0.62 0.00 0.00 178.44 177.88 1cey h LYS 70 N -0.43 0.01 -0.13 1.25 3.64 -1.42 1.04 116.57 120.53 1cey h LYS 70 Ca 0.05 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1cey h LYS 70 Cb 0.57 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 1cey h LYS 70 CO -0.48 0.01 0.08 1.79 -2.27 0.00 0.00 179.45 178.57 1cey h THR 71 N 0.01 1.08 -0.09 1.00 1.35 -0.35 0.88 112.91 116.79 1cey h THR 71 Ca 0.51 -0.20 0.03 0.00 -0.55 0.00 0.00 66.41 66.20 1cey h THR 71 Cb 0.91 0.97 -0.00 0.00 -1.73 0.00 0.00 68.15 68.30 1cey h THR 71 CO -0.95 0.07 0.13 0.40 -0.25 0.00 0.00 175.52 174.92 1cey h ILE 72 N 0.13 0.36 0.00 6.82 2.04 0.34 0.58 117.51 127.77 1cey h ILE 72 Ca 0.05 0.00 -0.23 0.00 1.00 0.00 0.00 64.86 65.68 1cey h ILE 72 Cb 0.05 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 1cey h ILE 72 CO -0.01 0.00 -1.53 -0.09 0.00 0.00 0.00 178.15 176.52 1cey h ARG 73 N 0.00 0.00 -0.75 2.37 2.43 0.24 -3.34 114.38 115.33 1cey h ARG 73 Ca 0.04 0.00 0.17 0.00 -0.81 0.00 0.00 59.98 59.38 1cey h ARG 73 Cb 0.31 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.81 1cey h ARG 73 CO -0.00 0.42 0.51 0.00 -1.51 0.00 0.00 179.97 179.39 1cey h ALA 74 N 1.20 2.25 -1.62 2.80 0.00 0.31 -3.37 119.26 120.83 1cey h ALA 74 Ca -0.22 -0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.18 1cey h ALA 74 Cb 1.81 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.55 1cey h ALA 74 CO 0.07 -0.47 1.43 -0.51 0.00 0.00 0.00 179.25 179.77 1cey s ASP 75 N -5.91 5.14 -0.02 0.00 1.11 -1.20 -4.82 116.67 110.97 1cey s ASP 75 Ca -0.07 0.81 -0.05 0.00 0.18 0.00 0.00 52.55 53.42 1cey s ASP 75 Cb 0.21 -2.52 -0.23 0.00 1.07 0.00 0.00 42.92 41.46 1cey s ASP 75 CO 0.76 -2.39 3.14 0.61 1.18 0.00 0.00 175.17 178.48 1cey n GLY 76 N 5.74 2.70 1.61 0.21 0.00 -1.26 -2.77 105.19 111.42 1cey n GLY 76 Ca 0.26 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 2.59 0.41 -1.02 4.61 0.00 -1.26 -4.93 120.51 120.91 1cey n ALA 77 Ca 0.37 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.71 1cey n ALA 77 Cb 0.77 0.00 0.27 0.00 0.00 0.00 0.00 19.45 20.49 1cey n ALA 77 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1cey n MET 78 N -2.20 3.37 0.00 0.00 0.00 -1.26 -4.51 117.12 112.52 1cey n MET 78 Ca 0.00 -2.99 0.01 0.00 0.00 0.00 0.00 57.70 54.73 1cey n MET 78 Cb 0.00 -2.19 0.08 0.00 0.00 0.00 0.00 33.22 31.11 1cey n MET 78 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1cey n SER 79 N -0.34 0.00 -1.61 6.12 2.88 -1.12 -2.48 113.62 117.07 1cey n SER 79 Ca 0.44 -0.50 0.03 0.00 -1.33 0.00 0.00 58.87 57.51 1cey n SER 79 Cb 1.44 0.00 0.29 0.00 -0.75 0.00 0.00 64.21 65.19 1cey n SER 79 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1cey n ALA 80 N -0.65 3.70 -2.01 -1.46 0.00 -1.26 -4.69 120.51 114.13 1cey n ALA 80 Ca 0.02 -1.54 -0.42 0.00 0.00 0.00 0.00 53.44 51.50 1cey n ALA 80 Cb 0.01 -1.12 -0.03 0.00 0.00 0.00 0.00 19.45 18.31 1cey n ALA 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1cey s LEU 81 N -2.15 4.22 -0.56 0.00 1.43 -1.04 -4.87 118.68 115.71 1cey s LEU 81 Ca 0.42 2.11 -0.26 0.00 -1.03 0.00 0.00 54.13 55.37 1cey s LEU 81 Cb 0.32 -3.53 -0.09 0.00 0.03 0.00 0.00 46.19 42.92 1cey s LEU 81 CO 0.12 -1.02 2.43 -2.65 0.23 0.00 0.00 176.35 175.46 1cey n PRO 82 N 7.28 0.91 -3.61 1.29 -0.02 -1.25 -4.77 135.00 134.83 1cey n PRO 82 Ca 0.18 -0.12 -0.40 0.00 -2.02 0.00 0.00 63.50 61.13 1cey n PRO 82 Cb 0.43 -3.37 -0.10 0.00 -0.02 0.00 0.00 33.50 30.44 1cey n PRO 82 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1cey s VAL 83 N 12.38 4.32 -0.50 -1.45 1.01 -1.26 -2.40 120.40 132.50 1cey s VAL 83 Ca 1.00 -1.21 -0.22 0.00 0.00 0.00 0.00 61.98 61.54 1cey s VAL 83 Cb -0.23 -3.56 0.04 0.00 0.00 0.00 0.00 36.38 32.64 1cey s VAL 83 CO 0.25 -0.40 0.76 -0.22 0.00 0.00 0.00 175.10 175.49 1cey s LEU 84 N 1.47 4.46 0.62 3.92 2.96 -0.51 -1.93 118.68 129.67 1cey s LEU 84 Ca 0.02 -0.47 -0.18 0.00 -0.22 0.00 0.00 54.13 53.28 1cey s LEU 84 Cb -0.22 -2.72 -0.02 0.00 0.50 0.00 0.00 46.19 43.73 1cey s LEU 84 CO 0.04 -0.98 1.23 -0.32 -1.32 0.00 0.00 176.35 174.99 1cey s MET 85 N 3.22 2.79 -0.00 1.98 -2.45 -1.02 -3.73 119.30 120.09 1cey s MET 85 Ca 0.24 1.87 0.03 0.00 -1.25 0.00 0.00 55.69 56.58 1cey s MET 85 Cb -0.15 -1.90 -0.01 0.00 1.25 0.00 0.00 34.83 34.02 1cey s MET 85 CO 0.18 -1.36 -0.10 0.08 1.05 0.00 0.00 175.02 174.86 1cey s VAL 86 N -1.60 0.79 0.08 10.11 1.01 0.38 -2.11 120.40 129.06 1cey s VAL 86 Ca 0.78 -0.48 -0.13 0.00 0.00 0.00 0.00 61.98 62.15 1cey s VAL 86 Cb -0.32 -0.67 0.02 0.00 0.00 0.00 0.00 36.38 35.41 1cey s VAL 86 CO 0.36 0.18 0.29 0.28 0.00 0.00 0.00 175.10 176.22 1cey s THR 87 N -0.31 0.10 -0.22 3.92 -1.32 -1.05 -1.47 115.64 115.29 1cey s THR 87 Ca 0.03 -0.80 -0.09 0.00 -1.21 0.00 0.00 61.69 59.62 1cey s THR 87 Cb -0.04 -1.11 -0.19 0.00 -1.51 0.00 0.00 72.50 69.65 1cey s THR 87 CO -0.00 -0.44 -0.01 0.00 -2.21 0.00 0.00 174.62 171.95 1cey n ALA 88 N 0.19 1.10 0.02 11.08 0.00 -1.26 0.14 120.51 131.78 1cey n ALA 88 Ca -0.17 -0.84 -0.02 0.00 0.00 0.00 0.00 53.44 52.41 1cey n ALA 88 Cb 0.61 -0.29 -0.01 0.00 0.00 0.00 0.00 19.45 19.76 1cey n ALA 88 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1cey h GLU 89 N -0.41 -0.12 -5.25 0.00 4.11 -1.98 -3.43 114.58 107.50 1cey h GLU 89 Ca -0.52 0.01 0.00 0.00 0.07 0.00 0.00 59.36 58.92 1cey h GLU 89 Cb 1.75 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.98 1cey h GLU 89 CO -0.15 -0.08 -1.16 0.00 0.07 0.00 0.00 179.01 177.69 1cey n ALA 90 N -2.43 -3.32 -1.86 1.06 0.00 -1.26 -5.03 120.51 107.67 1cey n ALA 90 Ca -0.02 1.12 0.00 0.00 0.00 0.00 0.00 53.44 54.55 1cey n ALA 90 Cb 0.05 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.23 1cey n ALA 90 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1cey n LYS 91 N 1.21 0.00 0.04 0.00 4.81 -1.26 -4.98 118.16 117.98 1cey n LYS 91 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.29 1cey n LYS 91 Cb 0.27 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.32 1cey n LYS 91 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1cey n LYS 92 N -0.21 0.00 -0.08 1.64 3.00 -1.26 -4.78 118.16 116.47 1cey n LYS 92 Ca 0.00 0.00 0.16 0.00 -0.00 0.00 0.00 58.31 58.47 1cey n LYS 92 Cb 0.00 0.00 0.57 0.00 0.00 0.00 0.00 35.03 35.60 1cey n LYS 92 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1cey h GLU 93 N 0.00 0.25 0.01 1.64 5.08 -1.99 -0.59 114.58 118.99 1cey h GLU 93 Ca 0.00 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 1cey h GLU 93 Cb 0.00 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.20 1cey h GLU 93 CO 0.00 0.17 -0.29 -0.97 -1.00 0.00 0.00 179.01 176.92 1cey h ASN 94 N 0.26 0.23 -0.66 1.42 -0.00 -1.99 -2.85 115.58 111.99 1cey h ASN 94 Ca 0.30 -0.82 0.11 0.00 -0.00 0.00 0.00 56.30 55.90 1cey h ASN 94 Cb 0.83 -0.07 -0.08 0.00 -0.00 0.00 0.00 38.32 39.00 1cey h ASN 94 CO -0.07 1.02 0.25 0.40 -0.00 0.00 0.00 177.43 179.03 1cey h ILE 95 N -0.53 0.73 0.00 2.57 2.04 -1.61 0.74 117.51 121.46 1cey h ILE 95 Ca -0.04 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1cey h ILE 95 Cb 1.08 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 1cey h ILE 95 CO 0.06 0.08 0.00 0.40 0.00 0.00 0.00 178.15 178.68 1cey h ILE 96 N 0.42 0.00 0.05 -0.67 2.04 -1.19 -3.09 117.51 115.07 1cey h ILE 96 Ca 0.34 -0.22 -0.00 0.00 1.00 0.00 0.00 64.86 65.98 1cey h ILE 96 Cb 0.46 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 1cey h ILE 96 CO -0.34 0.00 -0.02 0.00 0.00 0.00 0.00 178.15 177.79 1cey h ALA 97 N 2.09 -0.88 -0.79 1.87 0.00 0.76 1.90 119.26 124.21 1cey h ALA 97 Ca 0.00 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.08 1cey h ALA 97 Cb 0.27 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 17.96 1cey h ALA 97 CO 0.00 -0.88 0.16 0.00 0.00 0.00 0.00 179.25 178.53 1cey h ALA 98 N -1.96 1.03 0.00 0.00 0.00 -1.56 1.33 119.26 118.09 1cey h ALA 98 Ca -0.01 0.20 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1cey h ALA 98 Cb 0.05 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1cey h ALA 98 CO 0.01 -0.39 -0.29 0.00 0.00 0.00 0.00 179.25 178.58 1cey h ALA 99 N 1.69 1.26 -0.52 0.00 0.00 -1.45 -0.25 119.26 119.99 1cey h ALA 99 Ca 0.46 -0.26 0.12 0.00 0.00 0.00 0.00 54.91 55.22 1cey h ALA 99 Cb 0.84 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1cey h ALA 99 CO -0.59 0.36 0.36 0.37 0.00 0.00 0.00 179.25 179.75 1cey h GLN 100 N 0.00 0.18 0.00 0.00 5.75 1.33 2.60 115.11 124.97 1cey h GLN 100 Ca -0.00 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1cey h GLN 100 Cb 0.62 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 29.12 1cey h GLN 100 CO 0.04 0.12 -0.70 0.00 -2.65 0.00 0.00 178.83 175.64 1cey h ALA 101 N 1.74 0.66 -4.92 3.38 0.00 -0.87 -3.49 119.26 115.76 1cey h ALA 101 Ca 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1cey h ALA 101 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1cey h ALA 101 CO -0.04 0.02 -0.25 0.41 0.00 0.00 0.00 179.25 179.39 1cey n GLY 102 N 1.16 -1.16 0.00 0.00 0.00 0.87 -4.96 105.19 101.10 1cey n GLY 102 Ca 0.01 0.77 0.00 0.00 0.00 0.00 0.00 46.02 46.80 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 -0.84 0.00 -0.11 4.61 0.00 -1.25 -4.96 120.51 117.96 1cey n ALA 103 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.28 1cey n ALA 103 Cb 0.43 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.77 1cey n ALA 103 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1cey n SER 104 N 0.00 1.88 0.00 0.00 3.41 -0.81 -4.81 113.62 113.29 1cey n SER 104 Ca 0.00 0.42 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 1cey n SER 104 Cb 0.00 -0.93 0.00 0.00 -0.26 0.00 0.00 64.21 63.02 1cey n SER 104 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1cey n GLY 105 N 1.41 -0.58 2.86 5.00 0.00 -1.26 -5.00 105.19 107.63 1cey n GLY 105 Ca -0.35 -0.71 -0.15 0.00 0.00 0.00 0.00 46.02 44.81 1cey n GLY 105 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1cey s TYR 106 N -3.43 -0.12 -0.07 1.61 5.04 -1.26 -2.43 117.35 116.68 1cey s TYR 106 Ca 0.00 0.43 0.04 0.00 -2.44 0.00 0.00 57.07 55.11 1cey s TYR 106 Cb 0.00 -0.17 -0.01 0.00 0.35 0.00 0.00 41.96 42.13 1cey s TYR 106 CO 0.00 -0.18 -0.21 0.54 -1.34 0.00 0.00 175.55 174.36 1cey s VAL 107 N 1.43 2.40 -0.22 3.14 0.11 -0.90 -5.00 120.40 121.37 1cey s VAL 107 Ca -0.06 -0.93 -0.21 0.00 -2.93 0.00 0.00 61.98 57.85 1cey s VAL 107 Cb -0.12 -1.91 -0.02 0.00 -1.53 0.00 0.00 36.38 32.80 1cey s VAL 107 CO -0.05 0.57 0.65 0.54 -3.33 0.00 0.00 175.10 173.47 1cey s VAL 108 N -0.14 4.99 0.39 2.04 0.11 -1.26 -2.52 120.40 124.00 1cey s VAL 108 Ca -0.03 1.20 0.01 0.00 -2.93 0.00 0.00 61.98 60.23 1cey s VAL 108 Cb -0.14 -3.96 -0.02 0.00 -1.53 0.00 0.00 36.38 30.73 1cey s VAL 108 CO 0.04 0.06 0.59 -1.59 -3.33 0.00 0.00 175.10 170.88 1cey s LYS 109 N 2.22 3.30 0.02 1.54 -2.85 0.12 -3.86 119.74 120.23 1cey s LYS 109 Ca 0.28 -0.43 -0.30 0.00 -1.00 0.00 0.00 55.97 54.52 1cey s LYS 109 Cb -0.16 -2.63 -0.05 0.00 -2.06 0.00 0.00 37.83 32.94 1cey s LYS 109 CO 0.09 -0.03 1.20 -1.25 0.10 0.00 0.00 175.35 175.47 1cey s PRO 110 N -4.41 4.41 0.22 1.78 0.05 -1.26 -4.27 135.00 131.51 1cey s PRO 110 Ca 0.44 1.74 0.04 0.00 0.05 0.00 0.00 61.00 63.26 1cey s PRO 110 Cb -0.10 -3.43 -0.03 0.00 0.05 0.00 0.00 34.50 30.99 1cey s PRO 110 CO 0.37 -0.32 0.35 -0.59 0.05 0.00 0.00 177.00 176.86 1cey s PHE 111 N 1.47 3.47 0.13 0.56 -0.12 -1.25 -5.09 117.98 117.14 1cey s PHE 111 Ca 0.58 0.06 -0.10 0.00 -0.05 0.00 0.00 56.93 57.42 1cey s PHE 111 Cb -0.28 -1.63 -0.06 0.00 -0.63 0.00 0.00 43.02 40.42 1cey s PHE 111 CO 0.27 0.44 0.44 0.99 -0.05 0.00 0.00 175.22 177.31 1cey s THR 112 N -1.93 5.04 0.62 -4.49 2.01 -1.26 -4.85 115.64 110.79 1cey s THR 112 Ca 0.35 0.44 0.24 0.00 0.31 0.00 0.00 61.69 63.02 1cey s THR 112 Cb -0.10 -3.65 0.31 0.00 0.01 0.00 0.00 72.50 69.08 1cey s THR 112 CO 0.29 0.18 1.52 0.00 -0.69 0.00 0.00 174.62 175.92 1cey h ALA 113 N 3.33 2.36 -0.13 7.40 0.00 -1.99 1.58 119.26 131.81 1cey h ALA 113 Ca -0.48 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.20 1cey h ALA 113 Cb 1.18 0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.02 1cey h ALA 113 CO 0.68 -1.13 -0.77 0.00 0.00 0.00 0.00 179.25 178.03 1cey h ALA 114 N 0.83 0.40 0.43 0.00 0.00 -1.98 -0.80 119.26 118.15 1cey h ALA 114 Ca 0.26 -0.60 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1cey h ALA 114 Cb 1.95 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.72 1cey h ALA 114 CO -0.00 0.71 -0.21 1.79 0.00 0.00 0.00 179.25 181.54 1cey h THR 115 N 0.45 0.00 -0.94 0.00 1.35 0.19 0.19 112.91 114.16 1cey h THR 115 Ca -0.05 -0.33 0.24 0.00 -0.55 0.00 0.00 66.41 65.72 1cey h THR 115 Cb 1.38 0.00 -0.13 0.00 -1.73 0.00 0.00 68.15 67.67 1cey h THR 115 CO 0.15 0.00 0.46 0.25 -0.25 0.00 0.00 175.52 176.13 1cey h LEU 116 N -0.91 0.43 0.21 3.87 5.85 -1.50 0.11 115.31 123.37 1cey h LEU 116 Ca -0.06 0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 1cey h LEU 116 Cb 0.44 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.59 1cey h LEU 116 CO 0.10 0.01 -0.10 -0.33 -0.34 0.00 0.00 178.44 177.77 1cey h GLU 117 N 0.43 -0.27 -0.71 1.25 5.08 -1.04 0.23 114.58 119.56 1cey h GLU 117 Ca 0.60 0.02 0.15 0.00 -1.00 0.00 0.00 59.36 59.13 1cey h GLU 117 Cb 1.17 0.06 -0.13 0.00 0.50 0.00 0.00 28.75 30.35 1cey h GLU 117 CO -0.53 -0.11 -0.11 0.93 -1.00 0.00 0.00 179.01 178.19 1cey h GLU 118 N -0.37 0.03 -0.33 2.33 5.08 0.19 0.50 114.58 122.02 1cey h GLU 118 Ca -0.03 -0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.17 1cey h GLU 118 Cb 0.29 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1cey h GLU 118 CO 0.05 0.02 -0.42 0.87 -1.00 0.00 0.00 179.01 178.53 1cey h LYS 119 N 0.04 0.81 0.54 2.33 6.56 -1.06 -2.48 116.57 123.30 1cey h LYS 119 Ca 0.36 -0.44 -0.03 0.00 -1.06 0.00 0.00 60.65 59.48 1cey h LYS 119 Cb 0.58 0.02 0.01 0.00 -0.57 0.00 0.00 32.23 32.26 1cey h LYS 119 CO -0.69 1.07 -0.26 1.25 -2.06 0.00 0.00 179.45 178.76 1cey h LEU 120 N 0.66 -0.62 -0.50 2.94 5.85 0.26 -0.26 115.31 123.64 1cey h LEU 120 Ca 0.05 0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.89 1cey h LEU 120 Cb 0.99 0.16 -0.10 0.00 0.37 0.00 0.00 40.66 42.07 1cey h LEU 120 CO 0.09 -0.38 -0.28 0.78 -0.34 0.00 0.00 178.44 178.32 1cey h ASN 121 N -0.86 -0.95 0.24 1.25 2.35 -0.26 0.91 115.58 118.26 1cey h ASN 121 Ca -0.07 0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1cey h ASN 121 Cb 0.56 0.48 0.00 0.00 0.05 0.00 0.00 38.32 39.41 1cey h ASN 121 CO 0.12 -0.28 0.00 0.11 -1.65 0.00 0.00 177.43 175.73 1cey h LYS 122 N -0.16 0.00 0.06 0.81 1.79 -1.45 -1.83 116.57 115.79 1cey h LYS 122 Ca 0.22 0.00 -0.29 0.00 -2.18 0.00 0.00 60.65 58.40 1cey h LYS 122 Cb 0.51 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.14 1cey h LYS 122 CO -0.60 0.00 -1.55 0.82 -1.08 0.00 0.00 179.45 177.04 1cey h ILE 123 N 0.00 0.82 -0.09 1.86 2.04 0.25 -3.37 117.51 119.02 1cey h ILE 123 Ca 0.00 -2.26 -0.08 0.00 1.00 0.00 0.00 64.86 63.53 1cey h ILE 123 Cb 0.12 2.37 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 1cey h ILE 123 CO 0.00 0.57 -0.29 -0.26 0.00 0.00 0.00 178.15 178.17 1cey h PHE 124 N -0.53 0.17 -0.48 1.37 -1.00 -0.24 -1.24 116.94 114.99 1cey h PHE 124 Ca -0.37 -0.03 0.14 0.00 2.81 0.00 0.00 57.97 60.51 1cey h PHE 124 Cb 1.62 -0.04 -0.02 0.00 3.61 0.00 0.00 35.95 41.12 1cey h PHE 124 CO 0.09 0.44 0.47 1.49 -1.61 0.00 0.00 178.31 179.19 1cey h GLU 125 N 0.14 0.00 0.00 1.51 4.81 -1.50 1.42 114.58 120.97 1cey h GLU 125 Ca 0.02 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.08 1cey h GLU 125 Cb 0.59 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.94 1cey h GLU 125 CO 0.04 0.00 -1.24 0.87 -0.73 0.00 0.00 179.01 177.95 1cey h LYS 126 N 0.00 0.00 0.00 1.92 1.57 -1.41 -3.26 116.57 115.39 1cey h LYS 126 Ca 0.23 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.97 1cey h LYS 126 Cb 1.17 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 1cey h LYS 126 CO -0.00 0.41 -0.21 1.25 -0.57 0.00 0.00 179.45 180.33 1cey h LEU 127 N 0.00 0.00 0.00 2.94 5.85 0.22 -3.46 115.31 120.85 1cey h LEU 127 Ca -0.14 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.58 1cey h LEU 127 Cb 1.61 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.64 1cey h LEU 127 CO 0.06 0.21 0.00 0.61 -0.34 0.00 0.00 178.44 178.98 1cey n GLY 128 N 0.02 1.11 0.86 3.75 0.00 0.05 -5.09 105.19 105.90 1cey n GLY 128 Ca -0.00 -0.25 0.12 0.00 0.00 0.00 0.00 46.02 45.89 1cey n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35