#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 -9.24 -0.81 0.00 9.92 -1.26 -4.75 116.55 110.42 1cey n ASP 3 Ca 0.00 1.42 0.05 0.00 -0.53 0.00 0.00 54.79 55.74 1cey n ASP 3 Cb 0.00 -5.20 0.17 0.00 -0.64 0.00 0.00 41.12 35.45 1cey n ASP 3 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1cey n LYS 4 N 1.62 2.13 -2.73 -1.24 5.02 -1.26 -4.09 118.16 117.61 1cey n LYS 4 Ca 0.00 -1.39 -0.05 0.00 -2.02 0.00 0.00 58.31 54.86 1cey n LYS 4 Cb 0.00 -1.43 0.06 0.00 -0.02 0.00 0.00 35.03 33.64 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 0.51 1.38 -2.69 1.97 1.02 -1.26 -2.58 120.64 118.99 1cey n GLU 5 Ca 0.13 -2.87 -0.42 0.00 -0.02 0.00 0.00 57.16 53.97 1cey n GLU 5 Cb 0.41 -0.98 -0.03 0.00 -0.02 0.00 0.00 31.44 30.83 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 -3.50 4.23 -0.08 -4.62 2.96 -1.26 -4.86 118.68 111.55 1cey s LEU 6 Ca 0.24 1.51 -0.30 0.00 -0.22 0.00 0.00 54.13 55.36 1cey s LEU 6 Cb 0.40 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.52 1cey s LEU 6 CO -0.03 -0.47 1.29 -0.54 -1.32 0.00 0.00 176.35 175.28 1cey s LYS 7 N 2.13 4.28 0.07 1.98 1.02 -1.26 -4.59 119.74 123.38 1cey s LYS 7 Ca 0.48 1.76 0.07 0.00 0.02 0.00 0.00 55.97 58.29 1cey s LYS 7 Cb -0.18 -3.66 -0.04 0.00 -0.52 0.00 0.00 37.83 33.43 1cey s LYS 7 CO 0.17 -0.59 -0.12 -0.06 -0.92 0.00 0.00 175.35 173.82 1cey s PHE 8 N 2.84 2.70 -0.15 3.18 0.40 -0.96 -1.89 117.98 124.10 1cey s PHE 8 Ca 0.58 -0.17 -0.00 0.00 -0.60 0.00 0.00 56.93 56.73 1cey s PHE 8 Cb -0.25 -1.46 -0.01 0.00 0.51 0.00 0.00 43.02 41.81 1cey s PHE 8 CO 0.21 0.37 -0.13 -1.17 0.70 0.00 0.00 175.22 175.20 1cey s LEU 9 N -1.89 2.63 -0.39 -0.37 2.96 -1.01 -2.04 118.68 118.57 1cey s LEU 9 Ca 0.19 -0.40 -0.03 0.00 -0.22 0.00 0.00 54.13 53.66 1cey s LEU 9 Cb -0.11 -1.61 0.09 0.00 0.50 0.00 0.00 46.19 45.07 1cey s LEU 9 CO 0.10 0.10 0.17 0.68 -1.32 0.00 0.00 176.35 176.08 1cey s VAL 10 N 0.73 3.34 -0.37 1.68 -7.23 -1.08 0.73 120.40 118.21 1cey s VAL 10 Ca -0.06 -1.83 0.08 0.00 -1.81 0.00 0.00 61.98 58.36 1cey s VAL 10 Cb -0.15 -3.18 0.64 0.00 0.56 0.00 0.00 36.38 34.25 1cey s VAL 10 CO 0.02 -0.54 1.69 0.52 -0.31 0.00 0.00 175.10 176.47 1cey n VAL 11 N 4.64 2.65 -2.39 1.32 0.31 -1.05 -2.67 118.33 121.14 1cey n VAL 11 Ca -0.05 -1.43 -0.37 0.00 -0.01 0.00 0.00 64.34 62.48 1cey n VAL 11 Cb 0.42 -0.43 -0.02 0.00 -0.91 0.00 0.00 33.84 32.90 1cey n VAL 11 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1cey s ASP 12 N -0.82 6.49 0.00 4.52 1.11 -1.26 -4.54 116.67 122.17 1cey s ASP 12 Ca 0.48 2.19 0.18 0.00 0.18 0.00 0.00 52.55 55.59 1cey s ASP 12 Cb 0.39 -2.60 0.53 0.00 1.07 0.00 0.00 42.92 42.31 1cey s ASP 12 CO 0.12 -0.69 1.44 -0.90 1.18 0.00 0.00 175.17 176.32 1cey n ASP 13 N -0.21 3.60 -3.04 0.27 5.68 -1.26 -4.89 116.55 116.70 1cey n ASP 13 Ca 0.06 -2.00 -0.05 0.00 -0.50 0.00 0.00 54.79 52.30 1cey n ASP 13 Cb 0.48 -0.40 0.04 0.00 -1.14 0.00 0.00 41.12 40.11 1cey n ASP 13 CO 0.00 0.00 0.00 0.33 -1.33 0.00 0.00 177.20 176.20 1cey n PHE 14 N 1.26 -2.23 -0.09 2.11 7.35 -1.26 -4.96 117.46 119.62 1cey n PHE 14 Ca 0.20 -0.12 0.00 0.00 -0.76 0.00 0.00 57.45 56.77 1cey n PHE 14 Cb 0.55 -0.19 0.00 0.00 0.35 0.00 0.00 39.48 40.19 1cey n PHE 14 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1cey n SER 15 N -3.36 1.27 0.00 -2.13 7.64 -1.26 -4.74 113.62 111.05 1cey n SER 15 Ca 0.02 -1.37 0.00 0.00 1.01 0.00 0.00 58.87 58.53 1cey n SER 15 Cb 0.09 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 1cey n SER 15 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1cey n THR 16 N -0.18 0.00 0.04 0.44 5.66 -1.26 -4.95 114.28 114.03 1cey n THR 16 Ca 0.00 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.79 1cey n THR 16 Cb 0.12 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 68.76 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 0.00 0.31 -0.66 1.09 -1.53 -1.98 -3.09 114.93 109.07 1cey h MET 17 Ca 0.00 -0.53 0.07 0.00 -3.44 0.00 0.00 59.70 55.80 1cey h MET 17 Cb 0.88 0.20 -0.04 0.00 -0.55 0.00 0.00 31.60 32.08 1cey h MET 17 CO 0.00 1.25 0.43 0.00 0.14 0.00 0.00 176.91 178.74 1cey h ARG 18 N -0.26 0.63 0.00 0.39 -0.00 -1.91 0.30 114.38 113.53 1cey h ARG 18 Ca -0.24 -0.04 -0.11 0.00 -0.50 0.00 0.00 59.98 59.10 1cey h ARG 18 Cb 1.78 -0.14 -0.02 0.00 0.00 0.00 0.00 29.97 31.59 1cey h ARG 18 CO 0.13 0.42 -0.53 0.00 0.00 0.00 0.00 179.97 179.99 1cey h ARG 19 N 0.65 0.00 -0.17 0.04 2.47 -1.94 -2.51 114.38 112.92 1cey h ARG 19 Ca 0.28 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.95 1cey h ARG 19 Cb 0.29 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.61 1cey h ARG 19 CO -0.09 0.53 -0.09 0.82 0.56 0.00 0.00 179.97 181.70 1cey h ILE 20 N 0.00 1.32 -0.06 2.04 2.04 -0.87 -3.11 117.51 118.86 1cey h ILE 20 Ca -0.01 -1.15 -0.12 0.00 1.00 0.00 0.00 64.86 64.58 1cey h ILE 20 Cb 1.08 1.72 -0.01 0.00 -0.74 0.00 0.00 36.82 38.86 1cey h ILE 20 CO 0.07 0.34 -0.50 -0.37 0.00 0.00 0.00 178.15 177.69 1cey h VAL 21 N 0.03 1.35 0.01 1.67 -1.51 -1.42 -2.40 116.25 113.98 1cey h VAL 21 Ca 0.04 -1.75 0.03 0.00 -1.23 0.00 0.00 66.70 63.79 1cey h VAL 21 Cb 0.58 1.87 -0.05 0.00 -2.13 0.00 0.00 31.29 31.55 1cey h VAL 21 CO 0.03 0.51 -0.42 0.03 -1.23 0.00 0.00 177.57 176.49 1cey h ARG 22 N 0.14 -0.56 0.38 5.19 -0.00 -1.38 0.15 114.38 118.30 1cey h ARG 22 Ca 0.00 0.04 -0.02 0.00 -0.50 0.00 0.00 59.98 59.50 1cey h ARG 22 Cb 0.94 0.13 0.00 0.00 0.00 0.00 0.00 29.97 31.04 1cey h ARG 22 CO 0.07 -0.38 -0.18 -0.97 0.00 0.00 0.00 179.97 178.52 1cey h ASN 23 N -0.59 -0.43 -0.81 7.04 -1.24 -1.56 -1.27 115.58 116.72 1cey h ASN 23 Ca 0.04 -0.11 0.09 0.00 0.71 0.00 0.00 56.30 57.03 1cey h ASN 23 Cb 0.66 0.11 -0.11 0.00 0.73 0.00 0.00 38.32 39.71 1cey h ASN 23 CO -0.31 -0.13 -0.54 0.25 -1.29 0.00 0.00 177.43 175.41 1cey h LEU 24 N -0.75 -1.94 -0.30 0.34 5.85 -1.18 0.46 115.31 117.79 1cey h LEU 24 Ca -0.05 0.30 0.02 0.00 0.84 0.00 0.00 57.88 58.99 1cey h LEU 24 Cb 0.51 0.86 -0.03 0.00 0.37 0.00 0.00 40.66 42.38 1cey h LEU 24 CO 0.09 -0.29 0.14 -0.07 -0.34 0.00 0.00 178.44 177.96 1cey h LEU 25 N -0.12 0.20 -1.58 2.25 3.38 -0.69 -0.72 115.31 118.01 1cey h LEU 25 Ca 0.16 0.02 0.21 0.00 0.09 0.00 0.00 57.88 58.35 1cey h LEU 25 Cb 0.49 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.16 1cey h LEU 25 CO -0.83 0.15 0.59 0.50 0.09 0.00 0.00 178.44 178.94 1cey h LYS 26 N 0.29 0.34 -1.01 1.13 3.64 0.72 0.14 116.57 121.82 1cey h LYS 26 Ca 0.13 -0.02 0.24 0.00 -1.27 0.00 0.00 60.65 59.73 1cey h LYS 26 Cb 0.06 -0.08 -0.12 0.00 -0.41 0.00 0.00 32.23 31.68 1cey h LYS 26 CO -0.10 0.22 0.60 1.49 -2.27 0.00 0.00 179.45 179.39 1cey h GLU 27 N 0.35 0.56 0.12 1.90 4.81 0.13 -2.59 114.58 119.86 1cey h GLU 27 Ca 0.45 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.64 1cey h GLU 27 Cb 1.21 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.46 1cey h GLU 27 CO -0.15 0.37 -0.06 1.25 -0.73 0.00 0.00 179.01 179.70 1cey h LEU 28 N 0.58 -0.14 0.00 1.64 5.85 -0.80 -3.48 115.31 118.96 1cey h LEU 28 Ca 0.64 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.37 1cey h LEU 28 Cb 1.23 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.29 1cey h LEU 28 CO -0.47 0.04 0.00 0.61 -0.34 0.00 0.00 178.44 178.28 1cey n GLY 29 N 0.95 0.00 3.88 3.75 0.00 -0.98 -5.08 105.19 107.72 1cey n GLY 29 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 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 3.50 -0.40 1.61 0.08 -1.24 -4.16 117.98 117.37 1cey s PHE 30 Ca 0.00 0.67 0.10 0.00 0.12 0.00 0.00 56.93 57.82 1cey s PHE 30 Cb 0.00 -2.09 0.32 0.00 -0.57 0.00 0.00 43.02 40.69 1cey s PHE 30 CO 0.00 0.44 0.81 0.27 -0.10 0.00 0.00 175.22 176.64 1cey n ASN 31 N 0.33 -0.28 -3.15 1.36 0.23 -1.07 -4.40 115.26 108.29 1cey n ASN 31 Ca -0.04 -3.16 0.06 0.00 -0.53 0.00 0.00 54.58 50.91 1cey n ASN 31 Cb 0.52 0.16 -0.01 0.00 -2.08 0.00 0.00 39.78 38.37 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 -1.92 -0.32 0.00 0.53 3.04 -1.26 -4.94 114.94 110.07 1cey s ASN 32 Ca 0.34 0.10 -0.07 0.00 0.04 0.00 0.00 52.86 53.28 1cey s ASN 32 Cb 0.30 1.23 0.00 0.00 -1.54 0.00 0.00 41.25 41.24 1cey s ASN 32 CO -0.09 -0.06 0.13 -0.69 -3.04 0.00 0.00 177.10 173.35 1cey s VAL 33 N 2.97 0.08 0.11 -5.21 1.01 -1.26 -2.27 120.40 115.83 1cey s VAL 33 Ca 0.14 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1cey s VAL 33 Cb -0.05 -0.42 -0.00 0.00 0.00 0.00 0.00 36.38 35.91 1cey s VAL 33 CO -0.17 -0.37 0.02 -0.62 0.00 0.00 0.00 175.10 173.96 1cey n GLU 34 N 1.52 1.32 -3.75 2.72 4.71 -0.87 -4.97 120.64 121.33 1cey n GLU 34 Ca -0.22 -0.84 -0.13 0.00 -0.01 0.00 0.00 57.16 55.96 1cey n GLU 34 Cb 0.56 0.33 -0.08 0.00 -1.01 0.00 0.00 31.44 31.23 1cey n GLU 34 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 1cey s GLU 35 N -2.40 0.72 0.29 3.49 2.12 -1.26 -2.62 118.70 119.03 1cey s GLU 35 Ca 0.02 -0.24 0.03 0.00 0.36 0.00 0.00 54.97 55.14 1cey s GLU 35 Cb 0.00 0.32 -0.01 0.00 0.26 0.00 0.00 34.13 34.70 1cey s GLU 35 CO 0.02 -0.21 0.31 0.00 -0.54 0.00 0.00 175.26 174.84 1cey n ALA 36 N 1.10 0.24 -1.95 6.30 0.00 -1.09 -4.95 120.51 120.16 1cey n ALA 36 Ca -0.21 -1.53 0.00 0.00 0.00 0.00 0.00 53.44 51.70 1cey n ALA 36 Cb 0.57 1.23 0.00 0.00 0.00 0.00 0.00 19.45 21.25 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 -0.51 0.00 0.00 0.00 0.28 -1.26 -4.33 120.64 114.81 1cey n GLU 37 Ca 0.04 -0.72 0.00 0.00 -0.16 0.00 0.00 57.16 56.32 1cey n GLU 37 Cb 0.50 -0.37 0.00 0.00 1.43 0.00 0.00 31.44 33.00 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 -0.02 -1.84 -0.08 -1.26 -4.90 116.55 108.45 1cey n ASP 38 Ca 0.00 0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 53.17 1cey n ASP 38 Cb 0.64 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 44.05 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 -0.53 0.60 0.27 0.00 -1.98 1.53 103.07 102.97 1cey h GLY 39 Ca 0.00 0.45 0.13 0.00 0.00 0.00 0.00 47.33 47.91 1cey h GLY 39 CO 0.00 -0.22 0.58 -2.08 0.00 0.00 0.00 176.54 174.82 1cey h VAL 40 N -0.42 0.24 0.15 4.60 2.07 -1.99 0.34 116.25 121.24 1cey h VAL 40 Ca 0.10 0.00 -0.30 0.00 0.82 0.00 0.00 66.70 67.32 1cey h VAL 40 Cb 0.58 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1cey h VAL 40 CO -0.40 0.00 -1.49 -0.78 0.02 0.00 0.00 177.57 174.92 1cey h ASP 41 N 0.00 0.48 -0.34 0.57 1.82 0.14 -2.77 116.42 116.32 1cey h ASP 41 Ca 0.21 -0.89 -0.05 0.00 -0.39 0.00 0.00 57.03 55.91 1cey h ASP 41 Cb 1.36 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 41.20 1cey h ASP 41 CO -0.00 1.66 0.03 0.00 -1.61 0.00 0.00 179.24 179.32 1cey h ALA 42 N 0.02 0.45 0.39 -0.78 0.00 0.40 -0.88 119.26 118.86 1cey h ALA 42 Ca -0.30 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.36 1cey h ALA 42 Cb 1.88 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.55 1cey h ALA 42 CO 0.11 0.18 -0.19 1.25 0.00 0.00 0.00 179.25 180.61 1cey h LEU 43 N 0.40 -0.44 -1.64 0.00 7.12 -0.86 0.12 115.31 120.01 1cey h LEU 43 Ca 0.10 -0.11 0.08 0.00 0.13 0.00 0.00 57.88 58.07 1cey h LEU 43 Cb 0.40 0.12 -0.03 0.00 -0.53 0.00 0.00 40.66 40.61 1cey h LEU 43 CO 0.01 -0.12 0.37 0.78 -0.13 0.00 0.00 178.44 179.35 1cey h ASN 44 N -0.80 0.37 0.49 1.25 2.35 -1.52 0.02 115.58 117.75 1cey h ASN 44 Ca -0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1cey h ASN 44 Cb 0.53 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.83 1cey h ASN 44 CO 0.09 0.24 -0.31 0.29 -1.65 0.00 0.00 177.43 176.08 1cey n LYS 45 N -4.47 0.30 0.10 0.81 4.76 -0.34 -3.90 118.16 115.41 1cey n LYS 45 Ca 0.08 -0.15 -0.18 0.00 -2.87 0.00 0.00 58.31 55.19 1cey n LYS 45 Cb 0.31 -1.50 -0.12 0.00 -1.84 0.00 0.00 35.03 31.88 1cey n LYS 45 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1cey h LEU 46 N 0.36 0.64 0.00 -0.35 4.07 0.13 -2.98 115.31 117.18 1cey h LEU 46 Ca 0.00 -0.62 0.00 0.00 0.08 0.00 0.00 57.88 57.34 1cey h LEU 46 Cb 0.48 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 42.01 1cey h LEU 46 CO 0.00 1.45 0.04 0.00 -1.08 0.00 0.00 178.44 178.85 1cey n GLN 47 N -3.68 0.00 -0.03 1.13 10.64 -1.19 -3.15 117.38 121.09 1cey n GLN 47 Ca -0.11 0.33 -0.04 0.00 -1.83 0.00 0.00 57.00 55.36 1cey n GLN 47 Cb 0.98 -1.54 -0.03 0.00 -0.86 0.00 0.00 30.24 28.79 1cey n GLN 47 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1cey h ALA 48 N 1.77 -0.44 -3.00 2.61 0.00 -1.74 -3.46 119.26 115.00 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 0.09 0.80 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1cey h ALA 48 CO 0.00 -0.50 0.00 0.41 0.00 0.00 0.00 179.25 179.16 1cey n GLY 49 N -1.10 1.08 2.67 0.00 0.00 -1.19 -5.09 105.19 101.56 1cey n GLY 49 Ca -0.01 -0.12 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 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 0.13 3.56 -0.02 0.00 -1.26 -5.06 105.19 102.54 1cey n GLY 50 Ca 0.00 0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 1cey n GLY 50 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1cey n TYR 51 N 2.66 1.05 0.20 1.61 4.01 -1.26 -4.62 117.16 120.81 1cey n TYR 51 Ca 0.19 -0.07 0.02 0.00 -0.16 0.00 0.00 57.90 57.88 1cey n TYR 51 Cb 0.56 -2.59 0.10 0.00 -0.31 0.00 0.00 39.34 37.10 1cey n TYR 51 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1cey n GLY 52 N 6.55 -0.19 3.39 2.72 0.00 -1.16 -4.55 105.19 111.95 1cey n GLY 52 Ca 0.45 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 46.30 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 -2.16 -0.48 -0.07 1.61 2.19 -0.79 -4.01 117.98 114.26 1cey s PHE 53 Ca 0.05 1.03 -0.03 0.00 0.33 0.00 0.00 56.93 58.31 1cey s PHE 53 Cb 0.02 0.21 0.04 0.00 -1.31 0.00 0.00 43.02 41.99 1cey s PHE 53 CO 0.04 -0.37 0.13 0.08 1.83 0.00 0.00 175.22 176.93 1cey s VAL 54 N -0.46 -0.22 -0.18 3.12 1.01 -0.88 -2.40 120.40 120.39 1cey s VAL 54 Ca -0.06 0.38 -0.05 0.00 0.00 0.00 0.00 61.98 62.25 1cey s VAL 54 Cb -0.03 -0.26 -0.03 0.00 0.00 0.00 0.00 36.38 36.06 1cey s VAL 54 CO 0.04 0.16 0.00 -0.63 0.00 0.00 0.00 175.10 174.66 1cey s ILE 55 N 2.26 4.12 -0.05 2.22 1.01 0.22 -2.00 121.20 128.98 1cey s ILE 55 Ca 0.04 -0.27 -0.13 0.00 0.00 0.00 0.00 60.65 60.29 1cey s ILE 55 Cb -0.12 -2.84 0.03 0.00 0.01 0.00 0.00 42.46 39.53 1cey s ILE 55 CO -0.05 0.46 0.31 -0.94 0.00 0.00 0.00 174.94 174.72 1cey s SER 56 N 0.64 -0.23 0.82 3.58 1.04 -1.26 -2.51 113.70 115.78 1cey s SER 56 Ca -0.00 0.27 -0.11 0.00 0.48 0.00 0.00 55.95 56.58 1cey s SER 56 Cb -0.14 0.43 0.09 0.00 0.10 0.00 0.00 66.02 66.50 1cey s SER 56 CO 0.02 -0.33 1.09 -1.81 0.98 0.00 0.00 173.24 173.19 1cey s ASP 57 N -0.82 4.14 0.05 7.02 1.11 -1.26 -1.68 116.67 125.24 1cey s ASP 57 Ca -0.09 1.53 -0.15 0.00 0.18 0.00 0.00 52.55 54.02 1cey s ASP 57 Cb -0.04 -2.25 -0.06 0.00 1.07 0.00 0.00 42.92 41.65 1cey s ASP 57 CO 0.03 -2.22 1.24 -0.25 1.18 0.00 0.00 175.17 175.15 1cey h TRP 58 N -1.26 -0.73 -1.84 4.23 2.91 -1.94 -3.44 115.95 113.87 1cey h TRP 58 Ca -0.47 0.03 0.28 0.00 1.13 0.00 0.00 58.89 59.86 1cey h TRP 58 Cb 1.26 0.33 -0.10 0.00 -0.51 0.00 0.00 29.16 30.14 1cey h TRP 58 CO 0.49 -0.24 0.73 0.54 -1.03 0.00 0.00 178.44 178.93 1cey s ASN 59 N -3.62 -0.07 0.00 2.65 6.03 -1.26 -4.24 114.94 114.42 1cey s ASN 59 Ca -0.07 -0.26 0.00 0.00 -1.03 0.00 0.00 52.86 51.50 1cey s ASN 59 Cb 0.03 0.27 0.00 0.00 -3.03 0.00 0.00 41.25 38.53 1cey s ASN 59 CO 0.27 -0.52 0.00 0.80 -2.03 0.00 0.00 177.10 175.62 1cey n MET 60 N -0.55 0.00 -2.14 3.55 1.56 -1.24 -5.06 117.12 113.24 1cey n MET 60 Ca -0.06 0.00 -0.32 0.00 -0.27 0.00 0.00 57.70 57.05 1cey n MET 60 Cb 0.62 0.00 -0.04 0.00 2.15 0.00 0.00 33.22 35.94 1cey n MET 60 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 1cey s PRO 61 N 0.00 2.74 -0.03 2.12 0.05 -1.26 -4.41 135.00 134.21 1cey s PRO 61 Ca 0.00 -0.17 -0.00 0.00 0.05 0.00 0.00 61.00 60.88 1cey s PRO 61 Cb 0.00 -4.89 0.00 0.00 0.05 0.00 0.00 34.50 29.67 1cey s PRO 61 CO 0.00 -3.00 0.00 0.27 0.05 0.00 0.00 177.00 174.32 1cey n ASN 62 N 12.77 -6.74 0.00 6.66 6.94 -1.26 -4.12 115.26 129.50 1cey n ASN 62 Ca 0.32 0.58 0.00 0.00 -0.02 0.00 0.00 54.58 55.46 1cey n ASN 62 Cb 0.49 -1.93 0.00 0.00 -2.36 0.00 0.00 39.78 35.98 1cey n ASN 62 CO 0.00 0.00 0.00 0.80 -1.03 0.00 0.00 177.26 177.03 1cey n MET 63 N 1.43 0.00 -0.64 -3.83 0.00 -1.26 -4.88 117.12 107.93 1cey n MET 63 Ca -0.01 0.00 0.09 0.00 -0.00 0.00 0.00 57.70 57.78 1cey n MET 63 Cb 0.39 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.59 1cey n MET 63 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1cey n ASP 64 N 5.52 -6.22 0.00 6.12 8.00 -1.26 -3.65 116.55 125.06 1cey n ASP 64 Ca 0.00 0.69 0.00 0.00 0.71 0.00 0.00 54.79 56.19 1cey n ASP 64 Cb 0.00 -1.99 0.00 0.00 -0.02 0.00 0.00 41.12 39.11 1cey n ASP 64 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cey n GLY 65 N -1.93 1.97 0.11 0.44 0.00 -1.26 -4.49 105.19 100.03 1cey n GLY 65 Ca 0.00 -0.45 -0.13 0.00 0.00 0.00 0.00 46.02 45.45 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 0.25 -1.98 0.99 7.12 -1.89 -2.26 115.31 117.54 1cey h LEU 66 Ca 0.00 -0.47 -0.02 0.00 0.13 0.00 0.00 57.88 57.53 1cey h LEU 66 Cb 0.00 -0.07 -0.00 0.00 -0.53 0.00 0.00 40.66 40.06 1cey h LEU 66 CO 0.00 0.67 -0.07 -0.33 -0.13 0.00 0.00 178.44 178.58 1cey h GLU 67 N -0.16 0.00 0.39 1.25 3.07 -1.97 -2.41 114.58 114.76 1cey h GLU 67 Ca 0.02 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.86 1cey h GLU 67 Cb 0.59 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.51 1cey h GLU 67 CO 0.02 0.07 -0.19 -0.07 -1.40 0.00 0.00 179.01 177.45 1cey h LEU 68 N 0.00 -0.45 0.24 1.33 4.07 -1.73 -2.18 115.31 116.60 1cey h LEU 68 Ca -0.00 -0.10 -0.01 0.00 0.08 0.00 0.00 57.88 57.85 1cey h LEU 68 Cb 0.33 0.12 -0.00 0.00 1.08 0.00 0.00 40.66 42.19 1cey h LEU 68 CO 0.01 -0.15 -0.15 -0.07 -1.08 0.00 0.00 178.44 177.01 1cey h LEU 69 N -0.76 -0.36 -0.88 1.67 3.38 -1.06 -2.63 115.31 114.67 1cey h LEU 69 Ca -0.05 0.02 0.24 0.00 0.09 0.00 0.00 57.88 58.18 1cey h LEU 69 Cb 0.52 0.10 -0.16 0.00 0.09 0.00 0.00 40.66 41.21 1cey h LEU 69 CO 0.09 -0.23 0.02 1.17 0.09 0.00 0.00 178.44 179.59 1cey n LYS 70 N -3.12 -0.07 -0.30 1.13 0.00 -0.94 0.22 118.16 115.07 1cey n LYS 70 Ca -0.04 1.31 -0.00 0.00 0.00 0.00 0.00 58.31 59.58 1cey n LYS 70 Cb 0.15 -2.09 0.13 0.00 0.00 0.00 0.00 35.03 33.22 1cey n LYS 70 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1cey h THR 71 N 0.00 1.07 -0.01 3.15 2.02 -1.17 0.64 112.91 118.61 1cey h THR 71 Ca 0.54 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 67.37 1cey h THR 71 Cb 1.11 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.52 1cey h THR 71 CO -0.82 0.18 -0.04 0.40 0.37 0.00 0.00 175.52 175.60 1cey h ILE 72 N 0.98 1.03 0.09 3.11 2.04 0.31 -2.20 117.51 122.87 1cey h ILE 72 Ca 0.36 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 66.06 1cey h ILE 72 Cb 0.12 1.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1cey h ILE 72 CO -0.15 0.05 -0.04 -0.09 0.00 0.00 0.00 178.15 177.91 1cey h ARG 73 N 0.01 -0.12 -0.87 2.37 2.43 -0.36 -3.21 114.38 114.62 1cey h ARG 73 Ca 0.00 0.01 0.25 0.00 -0.81 0.00 0.00 59.98 59.43 1cey h ARG 73 Cb 0.08 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.62 1cey h ARG 73 CO 0.01 0.27 0.73 0.00 -1.51 0.00 0.00 179.97 179.46 1cey h ALA 74 N -0.56 2.74 -2.76 2.80 0.00 -1.02 -3.40 119.26 117.06 1cey h ALA 74 Ca -0.01 -0.03 -0.53 0.00 0.00 0.00 0.00 54.91 54.34 1cey h ALA 74 Cb 0.44 0.07 0.06 0.00 0.00 0.00 0.00 17.79 18.35 1cey h ALA 74 CO 0.02 -1.18 0.75 -0.51 0.00 0.00 0.00 179.25 178.33 1cey s ASP 75 N -5.09 6.66 0.50 0.00 1.11 -0.84 -5.00 116.67 114.01 1cey s ASP 75 Ca -0.04 2.67 -0.05 0.00 0.18 0.00 0.00 52.55 55.31 1cey s ASP 75 Cb 0.19 -2.63 -0.03 0.00 1.07 0.00 0.00 42.92 41.53 1cey s ASP 75 CO 0.68 -0.69 0.81 -0.83 1.18 0.00 0.00 175.17 176.32 1cey s GLY 76 N 0.27 1.52 0.00 0.21 0.00 -1.26 -3.85 107.32 104.21 1cey s GLY 76 Ca 0.58 -0.57 0.00 0.00 0.00 0.00 0.00 44.72 44.73 1cey s GLY 76 CO 0.45 -0.38 0.00 0.00 0.00 0.00 0.00 173.10 173.17 1cey n ALA 77 N -2.32 0.00 0.04 3.20 0.00 -1.26 -4.70 120.51 115.47 1cey n ALA 77 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.51 1cey n ALA 77 Cb 0.56 -0.11 -0.08 0.00 0.00 0.00 0.00 19.45 19.81 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 -2.00 0.60 0.00 0.00 2.00 -1.25 -5.03 117.12 111.44 1cey n MET 78 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 57.70 57.61 1cey n MET 78 Cb 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 33.22 31.98 1cey n MET 78 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1cey n SER 79 N -1.83 0.00 -2.85 7.83 7.64 -1.26 -2.75 113.62 120.40 1cey n SER 79 Ca -0.02 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.75 1cey n SER 79 Cb 0.28 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.53 1cey n SER 79 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1cey n ALA 80 N 9.00 1.26 -1.34 -0.43 0.00 -1.26 -4.46 120.51 123.27 1cey n ALA 80 Ca 0.00 -2.34 -0.40 0.00 0.00 0.00 0.00 53.44 50.70 1cey n ALA 80 Cb 0.00 -1.02 0.01 0.00 0.00 0.00 0.00 19.45 18.45 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 0.07 -1.92 -4.71 0.00 4.77 -1.11 -4.80 117.00 109.30 1cey n LEU 81 Ca 0.11 0.75 -0.40 0.00 -0.03 0.00 0.00 56.01 56.43 1cey n LEU 81 Cb 0.74 -0.97 0.02 0.00 -2.33 0.00 0.00 43.42 40.88 1cey n LEU 81 CO 0.11 -3.97 0.90 -2.65 -1.33 0.00 0.00 177.39 170.45 1cey n PRO 82 N 0.97 1.90 -3.80 3.23 -0.01 -1.26 -4.89 135.00 131.15 1cey n PRO 82 Ca 0.10 0.68 -0.24 0.00 -0.01 0.00 0.00 63.50 64.03 1cey n PRO 82 Cb 0.45 -2.43 -0.17 0.00 -0.01 0.00 0.00 33.50 31.33 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 -1.22 0.51 -1.02 -1.45 1.01 -1.23 -2.08 120.40 114.91 1cey s VAL 83 Ca 0.63 0.03 -0.04 0.00 0.00 0.00 0.00 61.98 62.59 1cey s VAL 83 Cb -0.49 -0.65 0.28 0.00 0.00 0.00 0.00 36.38 35.53 1cey s VAL 83 CO 0.56 0.28 1.16 -0.11 0.00 0.00 0.00 175.10 176.99 1cey n LEU 84 N 5.10 5.46 -4.21 3.92 7.94 -0.85 -0.01 117.00 134.36 1cey n LEU 84 Ca -0.08 -5.16 -0.34 0.00 -1.11 0.00 0.00 56.01 49.32 1cey n LEU 84 Cb 0.50 -1.26 0.13 0.00 0.53 0.00 0.00 43.42 43.33 1cey n LEU 84 CO 0.12 1.58 -0.95 0.23 -1.11 0.00 0.00 177.39 177.26 1cey n MET 85 N 1.93 -1.15 -3.69 1.96 2.81 0.41 -4.16 117.12 115.24 1cey n MET 85 Ca 0.25 -0.32 -0.15 0.00 -1.81 0.00 0.00 57.70 55.66 1cey n MET 85 Cb 0.37 -1.52 -0.15 0.00 -0.71 0.00 0.00 33.22 31.21 1cey n MET 85 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1cey s VAL 86 N -2.18 -0.23 0.00 2.03 1.01 -0.67 -2.60 120.40 117.76 1cey s VAL 86 Ca 0.51 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.79 1cey s VAL 86 Cb -0.06 -0.31 0.00 0.00 0.00 0.00 0.00 36.38 36.01 1cey s VAL 86 CO 0.66 0.12 0.00 1.07 0.00 0.00 0.00 175.10 176.96 1cey n THR 87 N 5.04 0.00 -1.66 3.92 5.66 -1.08 -3.13 114.28 123.03 1cey n THR 87 Ca -0.10 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.90 1cey n THR 87 Cb 0.50 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.28 1cey n THR 87 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1cey n ALA 88 N -3.00 1.64 0.12 1.79 0.00 -1.26 0.26 120.51 120.06 1cey n ALA 88 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.66 1cey n ALA 88 Cb 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.14 1cey n ALA 88 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1cey n GLU 89 N 0.00 0.00 -2.75 0.00 0.00 -1.26 -4.94 120.64 111.69 1cey n GLU 89 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 57.16 57.12 1cey n GLU 89 Cb 0.62 -0.03 -0.03 0.00 0.00 0.00 0.00 31.44 32.00 1cey n GLU 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1cey n ALA 90 N -3.33 -3.00 -0.41 -1.84 0.00 -1.26 -4.80 120.51 105.88 1cey n ALA 90 Ca 0.00 1.65 -0.15 0.00 0.00 0.00 0.00 53.44 54.94 1cey n ALA 90 Cb 0.00 -3.35 0.09 0.00 0.00 0.00 0.00 19.45 16.19 1cey n ALA 90 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1cey n LYS 91 N 1.82 1.76 0.00 0.00 4.76 -1.26 -4.94 118.16 120.30 1cey n LYS 91 Ca -0.28 -1.76 0.00 0.00 -2.87 0.00 0.00 58.31 53.40 1cey n LYS 91 Cb 0.45 -1.69 0.00 0.00 -1.84 0.00 0.00 35.03 31.95 1cey n LYS 91 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1cey n LYS 92 N -0.34 0.00 -0.16 1.97 5.02 -1.26 -3.32 118.16 120.07 1cey n LYS 92 Ca 0.35 0.00 0.27 0.00 -2.02 0.00 0.00 58.31 56.91 1cey n LYS 92 Cb 1.07 0.00 0.52 0.00 -0.02 0.00 0.00 35.03 36.60 1cey n LYS 92 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 1cey h GLU 93 N 0.00 0.00 0.03 1.97 -0.00 -2.02 1.32 114.58 115.88 1cey h GLU 93 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 59.36 59.09 1cey h GLU 93 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 28.72 1cey h GLU 93 CO 0.00 0.00 -1.41 -0.97 -0.00 0.00 0.00 179.01 176.63 1cey h ASN 94 N 0.00 0.10 0.55 3.06 -0.73 -1.94 -3.28 115.58 113.34 1cey h ASN 94 Ca 0.44 -0.14 0.00 0.00 1.87 0.00 0.00 56.30 58.47 1cey h ASN 94 Cb 2.53 -0.03 0.00 0.00 0.27 0.00 0.00 38.32 41.09 1cey h ASN 94 CO -0.00 1.12 0.00 0.40 -0.37 0.00 0.00 177.43 178.57 1cey h ILE 95 N 0.02 0.00 0.22 2.57 2.04 0.15 -3.22 117.51 119.28 1cey h ILE 95 Ca -0.17 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 1cey h ILE 95 Cb 1.92 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 38.89 1cey h ILE 95 CO 0.12 0.00 -0.10 0.40 0.00 0.00 0.00 178.15 178.56 1cey h ILE 96 N 0.00 0.00 -1.36 -0.67 2.04 -1.57 -2.68 117.51 113.27 1cey h ILE 96 Ca 0.00 -0.34 0.40 0.00 1.00 0.00 0.00 64.86 65.92 1cey h ILE 96 Cb 0.27 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.29 1cey h ILE 96 CO 0.00 0.00 0.96 0.00 0.00 0.00 0.00 178.15 179.11 1cey h ALA 97 N -1.53 3.16 0.28 1.87 0.00 -1.73 0.41 119.26 121.71 1cey h ALA 97 Ca -0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1cey h ALA 97 Cb 0.22 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1cey h ALA 97 CO 0.05 -1.59 -0.13 0.00 0.00 0.00 0.00 179.25 177.58 1cey h ALA 98 N 1.36 -0.37 -0.86 0.00 0.00 -1.57 -3.19 119.26 114.63 1cey h ALA 98 Ca 0.68 -0.20 0.17 0.00 0.00 0.00 0.00 54.91 55.56 1cey h ALA 98 Cb 2.56 0.14 -0.10 0.00 0.00 0.00 0.00 17.79 20.39 1cey h ALA 98 CO -0.08 -0.48 0.42 0.00 0.00 0.00 0.00 179.25 179.11 1cey h ALA 99 N -0.34 1.31 -0.59 0.00 0.00 -0.57 0.54 119.26 119.61 1cey h ALA 99 Ca -0.04 0.11 0.17 0.00 0.00 0.00 0.00 54.91 55.15 1cey h ALA 99 Cb 0.51 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1cey h ALA 99 CO 0.06 -0.16 0.56 0.37 0.00 0.00 0.00 179.25 180.08 1cey h GLN 100 N 0.55 0.00 0.00 0.00 4.15 -1.42 -3.36 115.11 115.03 1cey h GLN 100 Ca 0.49 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.91 1cey h GLN 100 Cb 0.76 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.45 1cey h GLN 100 CO -0.41 0.00 0.00 0.00 -1.93 0.00 0.00 178.83 176.49 1cey n ALA 101 N -2.43 0.00 -0.35 3.38 0.00 0.19 -4.98 120.51 116.32 1cey n ALA 101 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1cey n ALA 101 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.23 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 5.00 -0.32 0.06 0.00 0.00 -1.23 -4.75 105.19 103.95 1cey n GLY 102 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.07 1.17 -0.28 4.61 0.00 -1.19 -3.58 120.51 121.17 1cey n ALA 103 Ca 0.00 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.66 1cey n ALA 103 Cb 0.09 -0.82 0.36 0.00 0.00 0.00 0.00 19.45 19.08 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 -0.31 0.05 -4.52 0.00 7.64 -1.26 -3.85 113.62 111.38 1cey n SER 104 Ca 0.00 0.58 -0.34 0.00 1.01 0.00 0.00 58.87 60.12 1cey n SER 104 Cb 0.00 -0.28 -0.12 0.00 -1.01 0.00 0.00 64.21 62.80 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 -3.51 1.74 -0.15 0.23 0.00 0.98 -4.96 107.32 101.65 1cey s GLY 105 Ca -0.03 -0.81 -0.04 0.00 0.00 0.00 0.00 44.72 43.84 1cey s GLY 105 CO 0.41 -0.09 0.21 -0.47 0.00 0.00 0.00 173.10 173.15 1cey s TYR 106 N 0.28 -0.26 -0.19 1.90 5.04 -1.25 -0.44 117.35 122.41 1cey s TYR 106 Ca -0.02 0.48 -0.02 0.00 -2.44 0.00 0.00 57.07 55.07 1cey s TYR 106 Cb -0.14 -0.27 -0.00 0.00 0.35 0.00 0.00 41.96 41.90 1cey s TYR 106 CO 0.03 -0.45 -0.10 0.54 -1.34 0.00 0.00 175.55 174.23 1cey s VAL 107 N 2.33 3.00 -0.79 3.14 0.11 -1.07 -4.96 120.40 122.16 1cey s VAL 107 Ca 0.04 -0.63 -0.26 0.00 -2.93 0.00 0.00 61.98 58.21 1cey s VAL 107 Cb -0.14 -2.33 0.01 0.00 -1.53 0.00 0.00 36.38 32.40 1cey s VAL 107 CO -0.09 0.47 1.53 0.54 -3.33 0.00 0.00 175.10 174.21 1cey s VAL 108 N 1.22 3.65 0.95 2.04 0.11 -1.26 -2.64 120.40 124.46 1cey s VAL 108 Ca 0.02 0.01 -0.10 0.00 -2.93 0.00 0.00 61.98 58.98 1cey s VAL 108 Cb -0.14 -4.62 0.16 0.00 -1.53 0.00 0.00 36.38 30.24 1cey s VAL 108 CO -0.04 -1.56 1.08 2.29 -3.33 0.00 0.00 175.10 173.55 1cey n LYS 109 N 9.17 -0.65 -1.57 1.54 2.85 0.74 -4.61 118.16 125.64 1cey n LYS 109 Ca 0.18 -0.13 -0.30 0.00 -1.05 0.00 0.00 58.31 57.01 1cey n LYS 109 Cb 0.50 -2.32 0.10 0.00 -0.65 0.00 0.00 35.03 32.65 1cey n LYS 109 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1cey s PRO 110 N -4.54 1.98 0.08 -1.58 0.05 -1.26 -4.27 135.00 125.45 1cey s PRO 110 Ca 0.66 0.58 -0.08 0.00 0.05 0.00 0.00 61.00 62.21 1cey s PRO 110 Cb -0.23 -1.91 -0.01 0.00 0.05 0.00 0.00 34.50 32.40 1cey s PRO 110 CO 0.59 -1.68 0.16 -0.59 0.05 0.00 0.00 177.00 175.53 1cey s PHE 111 N -3.18 0.19 0.02 0.56 -0.12 -1.26 -5.10 117.98 109.09 1cey s PHE 111 Ca 0.61 -0.61 -0.03 0.00 -0.05 0.00 0.00 56.93 56.85 1cey s PHE 111 Cb -0.14 -0.10 -0.04 0.00 -0.63 0.00 0.00 43.02 42.11 1cey s PHE 111 CO 0.54 -0.51 0.22 0.99 -0.05 0.00 0.00 175.22 176.41 1cey s THR 112 N -3.71 5.38 0.57 -4.49 2.01 -1.26 -4.90 115.64 109.24 1cey s THR 112 Ca 0.04 -0.14 0.37 0.00 0.31 0.00 0.00 61.69 62.27 1cey s THR 112 Cb 0.04 -3.57 0.54 0.00 0.01 0.00 0.00 72.50 69.52 1cey s THR 112 CO -0.10 0.26 1.64 0.00 -0.69 0.00 0.00 174.62 175.73 1cey h ALA 113 N 3.58 3.16 -0.41 7.40 0.00 -1.99 1.40 119.26 132.40 1cey h ALA 113 Ca -0.48 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.30 1cey h ALA 113 Cb 1.18 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1cey h ALA 113 CO 0.71 -1.69 -0.09 0.00 0.00 0.00 0.00 179.25 178.17 1cey h ALA 114 N 1.10 0.57 0.44 0.00 0.00 -1.98 0.51 119.26 119.90 1cey h ALA 114 Ca 0.60 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1cey h ALA 114 Cb 2.68 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 20.32 1cey h ALA 114 CO -0.01 0.44 -0.21 1.79 0.00 0.00 0.00 179.25 181.27 1cey h THR 115 N 0.62 0.00 -0.91 0.00 1.35 0.15 0.14 112.91 114.26 1cey h THR 115 Ca 0.11 -0.11 0.25 0.00 -0.55 0.00 0.00 66.41 66.10 1cey h THR 115 Cb 0.62 0.00 -0.14 0.00 -1.73 0.00 0.00 68.15 66.90 1cey h THR 115 CO 0.04 0.00 0.31 0.25 -0.25 0.00 0.00 175.52 175.87 1cey h LEU 116 N -0.70 0.12 0.23 3.87 5.85 -1.46 0.24 115.31 123.45 1cey h LEU 116 Ca -0.06 0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1cey h LEU 116 Cb 0.45 0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.72 1cey h LEU 116 CO 0.10 -0.14 -0.11 -0.33 -0.34 0.00 0.00 178.44 177.62 1cey h GLU 117 N 0.24 -0.29 -0.35 1.25 3.07 -0.70 -2.56 114.58 115.24 1cey h GLU 117 Ca 0.59 0.02 0.04 0.00 -0.50 0.00 0.00 59.36 59.50 1cey h GLU 117 Cb 1.22 0.07 -0.05 0.00 -0.84 0.00 0.00 28.75 29.14 1cey h GLU 117 CO -0.64 -0.12 -0.31 1.49 -1.40 0.00 0.00 179.01 178.03 1cey h GLU 118 N -0.40 -0.13 -0.81 2.33 4.57 0.14 0.21 114.58 120.49 1cey h GLU 118 Ca -0.03 0.01 0.20 0.00 -1.18 0.00 0.00 59.36 58.35 1cey h GLU 118 Cb 0.31 0.03 -0.14 0.00 -0.16 0.00 0.00 28.75 28.79 1cey h GLU 118 CO 0.05 -0.09 0.10 0.87 -1.18 0.00 0.00 179.01 178.76 1cey h LYS 119 N -0.13 0.14 -0.89 1.92 1.79 -1.46 0.28 116.57 118.22 1cey h LYS 119 Ca 0.06 -0.01 0.24 0.00 -2.18 0.00 0.00 60.65 58.76 1cey h LYS 119 Cb 0.29 -0.03 -0.14 0.00 -1.58 0.00 0.00 32.23 30.76 1cey h LYS 119 CO -0.40 0.10 0.27 1.25 -1.08 0.00 0.00 179.45 179.59 1cey h LEU 120 N 0.15 0.06 -0.61 2.94 5.85 -0.16 0.28 115.31 123.81 1cey h LEU 120 Ca 0.47 0.19 -0.02 0.00 0.84 0.00 0.00 57.88 59.36 1cey h LEU 120 Cb 0.87 0.25 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 1cey h LEU 120 CO -0.66 -0.15 0.29 -1.13 -0.34 0.00 0.00 178.44 176.45 1cey h ASN 121 N 0.23 0.80 -0.34 1.25 -1.24 0.01 0.39 115.58 116.67 1cey h ASN 121 Ca 0.57 -0.13 0.03 0.00 0.71 0.00 0.00 56.30 57.48 1cey h ASN 121 Cb 1.15 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 39.98 1cey h ASN 121 CO -0.65 0.71 0.23 0.11 -1.29 0.00 0.00 177.43 176.54 1cey h LYS 122 N 0.83 0.31 0.06 6.67 1.57 -0.35 0.17 116.57 125.83 1cey h LYS 122 Ca 0.21 -0.02 -0.32 0.00 -1.87 0.00 0.00 60.65 58.65 1cey h LYS 122 Cb 0.12 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 1cey h LYS 122 CO -0.03 0.21 -1.82 -0.89 -0.57 0.00 0.00 179.45 176.35 1cey n ILE 123 N -4.49 1.69 1.63 1.86 5.41 -0.86 -3.98 119.36 120.63 1cey n ILE 123 Ca 0.03 -0.74 0.13 0.00 1.00 0.00 0.00 62.75 63.18 1cey n ILE 123 Cb 0.17 -1.35 0.61 0.00 -0.71 0.00 0.00 39.64 38.36 1cey n ILE 123 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 1cey n PHE 124 N -3.24 0.04 0.11 1.39 3.01 0.13 -3.07 117.46 115.83 1cey n PHE 124 Ca -0.23 -0.02 -0.02 0.00 1.01 0.00 0.00 57.45 58.19 1cey n PHE 124 Cb 1.05 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 40.56 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 1.45 0.00 0.00 -1.08 4.22 -0.81 0.57 114.58 118.94 1cey h GLU 125 Ca 0.00 0.00 -0.07 0.00 0.08 0.00 0.00 59.36 59.37 1cey h GLU 125 Cb 0.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1cey h GLU 125 CO 0.00 0.72 -1.61 1.63 -2.18 0.00 0.00 179.01 177.58 1cey n LYS 126 N -3.46 0.64 0.01 1.92 4.76 -1.22 -4.08 118.16 116.73 1cey n LYS 126 Ca 0.00 0.01 -0.06 0.00 -2.87 0.00 0.00 58.31 55.39 1cey n LYS 126 Cb 0.76 -1.68 -0.12 0.00 -1.84 0.00 0.00 35.03 32.16 1cey n LYS 126 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1cey h LEU 127 N 0.00 0.00 -3.12 -0.35 7.12 -1.47 -3.49 115.31 114.01 1cey h LEU 127 Ca -0.09 0.00 -0.10 0.00 0.13 0.00 0.00 57.88 57.81 1cey h LEU 127 Cb 1.25 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 41.39 1cey h LEU 127 CO 0.01 0.90 -1.01 0.61 -0.13 0.00 0.00 178.44 178.82 1cey n GLY 128 N 1.48 -0.80 0.48 3.75 0.00 0.20 -5.05 105.19 105.24 1cey n GLY 128 Ca -0.12 0.50 0.14 0.00 0.00 0.00 0.00 46.02 46.54 1cey n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35