#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 0.76 -2.38 0.00 2.03 -1.26 -4.80 116.55 110.91 1cey n ASP 3 Ca 0.00 1.15 -0.25 0.00 0.52 0.00 0.00 54.79 56.21 1cey n ASP 3 Cb 0.00 -1.17 -0.05 0.00 -0.72 0.00 0.00 41.12 39.19 1cey n ASP 3 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1cey n LYS 4 N 1.33 2.30 -0.92 -0.67 4.81 -1.26 -3.81 118.16 119.93 1cey n LYS 4 Ca 0.14 -2.17 -0.00 0.00 -0.87 0.00 0.00 58.31 55.41 1cey n LYS 4 Cb 0.25 -2.06 0.00 0.00 0.02 0.00 0.00 35.03 33.24 1cey n LYS 4 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1cey n GLU 5 N 0.87 0.04 -2.16 1.64 1.02 -1.26 -3.86 120.64 116.92 1cey n GLU 5 Ca 0.46 -0.08 -0.43 0.00 -0.02 0.00 0.00 57.16 57.09 1cey n GLU 5 Cb 0.57 0.33 -0.02 0.00 -0.02 0.00 0.00 31.44 32.30 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 -0.11 3.62 -0.02 -4.62 2.96 -1.25 -4.79 118.68 114.47 1cey s LEU 6 Ca 0.00 1.19 -0.32 0.00 -0.22 0.00 0.00 54.13 54.79 1cey s LEU 6 Cb 0.01 -3.53 -0.10 0.00 0.50 0.00 0.00 46.19 43.07 1cey s LEU 6 CO -0.00 -1.50 1.95 0.29 -1.32 0.00 0.00 176.35 175.77 1cey n LYS 7 N 8.11 2.59 -4.23 1.98 5.02 -1.26 -4.71 118.16 125.67 1cey n LYS 7 Ca 0.19 0.95 -0.30 0.00 -2.02 0.00 0.00 58.31 57.13 1cey n LYS 7 Cb 0.47 -2.88 -0.09 0.00 -0.02 0.00 0.00 35.03 32.51 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 4.41 2.87 -0.26 2.13 0.40 -0.80 -1.78 117.98 124.95 1cey s PHE 8 Ca 0.91 -0.08 0.02 0.00 -0.60 0.00 0.00 56.93 57.18 1cey s PHE 8 Cb -0.53 -1.51 0.06 0.00 0.51 0.00 0.00 43.02 41.54 1cey s PHE 8 CO 0.46 0.44 -0.10 -1.17 0.70 0.00 0.00 175.22 175.54 1cey s LEU 9 N -2.09 3.39 -0.48 -0.37 2.96 -0.85 -1.73 118.68 119.51 1cey s LEU 9 Ca 0.22 -1.32 -0.18 0.00 -0.22 0.00 0.00 54.13 52.64 1cey s LEU 9 Cb -0.11 -1.56 0.06 0.00 0.50 0.00 0.00 46.19 45.07 1cey s LEU 9 CO 0.14 -0.18 0.52 0.68 -1.32 0.00 0.00 176.35 176.19 1cey s VAL 10 N 1.14 5.03 -0.80 1.68 -7.23 -1.07 -0.93 120.40 118.22 1cey s VAL 10 Ca -0.07 -0.66 -0.16 0.00 -1.81 0.00 0.00 61.98 59.28 1cey s VAL 10 Cb -0.19 -4.20 0.18 0.00 0.56 0.00 0.00 36.38 32.72 1cey s VAL 10 CO -0.05 -0.67 0.82 -0.69 -0.31 0.00 0.00 175.10 174.20 1cey s VAL 11 N 2.23 5.29 -0.11 1.32 1.01 -1.04 -2.47 120.40 126.61 1cey s VAL 11 Ca 0.11 -2.01 -0.07 0.00 0.00 0.00 0.00 61.98 60.01 1cey s VAL 11 Cb -0.21 -4.53 0.04 0.00 0.00 0.00 0.00 36.38 31.68 1cey s VAL 11 CO 0.10 -1.14 0.27 -1.81 0.00 0.00 0.00 175.10 172.53 1cey s ASP 12 N 2.79 -0.30 0.49 3.32 1.01 -1.22 -4.12 116.67 118.64 1cey s ASP 12 Ca 0.19 0.58 0.26 0.00 0.71 0.00 0.00 52.55 54.29 1cey s ASP 12 Cb -0.12 0.49 1.28 0.00 1.01 0.00 0.00 42.92 45.58 1cey s ASP 12 CO -0.06 -0.15 1.99 0.44 0.21 0.00 0.00 175.17 177.60 1cey h ASP 13 N 6.83 0.00 -2.73 0.27 5.19 -1.80 -3.43 116.42 120.74 1cey h ASP 13 Ca -0.37 0.00 -0.53 0.00 -0.62 0.00 0.00 57.03 55.52 1cey h ASP 13 Cb 1.17 0.00 0.06 0.00 0.18 0.00 0.00 39.33 40.74 1cey h ASP 13 CO 0.36 0.16 0.98 0.49 -3.12 0.00 0.00 179.24 178.11 1cey n PHE 14 N -3.58 2.75 0.19 4.55 3.01 -1.26 -4.87 117.46 118.25 1cey n PHE 14 Ca -0.01 0.08 0.12 0.00 1.01 0.00 0.00 57.45 58.65 1cey n PHE 14 Cb 0.30 -2.66 0.12 0.00 -0.01 0.00 0.00 39.48 37.23 1cey n PHE 14 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1cey h SER 15 N 6.42 0.00 0.23 4.37 4.64 -2.02 -3.32 113.55 123.88 1cey h SER 15 Ca -0.44 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.54 1cey h SER 15 Cb 1.21 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.25 1cey h SER 15 CO 0.93 0.01 -2.03 1.07 -0.87 0.00 0.00 176.83 175.94 1cey n THR 16 N -2.98 1.58 0.12 2.95 5.66 -1.26 -4.07 114.28 116.27 1cey n THR 16 Ca 0.03 -0.76 0.13 0.00 -3.05 0.00 0.00 64.05 60.40 1cey n THR 16 Cb 0.54 -1.09 0.64 0.00 -1.55 0.00 0.00 70.33 68.87 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 0.06 -0.13 1.09 -1.53 -1.96 0.11 114.93 112.59 1cey h MET 17 Ca -0.41 -0.00 -0.16 0.00 -3.44 0.00 0.00 59.70 55.68 1cey h MET 17 Cb 2.06 -0.01 -0.01 0.00 -0.55 0.00 0.00 31.60 33.09 1cey h MET 17 CO 0.05 0.04 -0.59 0.00 0.14 0.00 0.00 176.91 176.55 1cey h ARG 18 N 0.06 0.41 0.00 0.39 3.08 -1.71 -2.49 114.38 114.13 1cey h ARG 18 Ca 0.13 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 59.90 1cey h ARG 18 Cb 0.44 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.53 1cey h ARG 18 CO -0.01 0.88 0.00 -0.09 -1.07 0.00 0.00 179.97 179.68 1cey h ARG 19 N 0.31 0.00 0.02 0.04 2.43 -1.00 -2.59 114.38 113.60 1cey h ARG 19 Ca -0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1cey h ARG 19 Cb 1.12 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 1cey h ARG 19 CO 0.10 0.00 -0.01 0.82 -1.51 0.00 0.00 179.97 179.37 1cey h ILE 20 N 0.00 1.50 -0.06 1.20 1.08 -0.71 -3.30 117.51 117.21 1cey h ILE 20 Ca 0.00 -1.77 -0.14 0.00 -0.39 0.00 0.00 64.86 62.57 1cey h ILE 20 Cb 0.64 2.65 -0.01 0.00 -3.07 0.00 0.00 36.82 37.03 1cey h ILE 20 CO 0.00 0.44 -0.57 -0.37 -0.69 0.00 0.00 178.15 176.96 1cey h VAL 21 N -0.81 1.38 -0.48 1.67 -1.51 -1.54 -2.72 116.25 112.24 1cey h VAL 21 Ca -0.00 -1.92 0.09 0.00 -1.23 0.00 0.00 66.70 63.64 1cey h VAL 21 Cb 0.74 1.97 -0.10 0.00 -2.13 0.00 0.00 31.29 31.77 1cey h VAL 21 CO 0.00 0.56 -0.29 0.03 -1.23 0.00 0.00 177.57 176.65 1cey h ARG 22 N 0.15 -0.17 0.38 5.19 2.47 -1.55 0.11 114.38 120.96 1cey h ARG 22 Ca -0.00 0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.71 1cey h ARG 22 Cb 1.05 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.42 1cey h ARG 22 CO 0.09 -0.11 -0.18 -0.97 0.56 0.00 0.00 179.97 179.35 1cey h ASN 23 N -0.18 -0.43 -0.86 7.04 -0.00 -1.63 -2.65 115.58 116.87 1cey h ASN 23 Ca 0.21 -0.12 0.08 0.00 -0.00 0.00 0.00 56.30 56.47 1cey h ASN 23 Cb 0.52 0.11 -0.11 0.00 -0.00 0.00 0.00 38.32 38.84 1cey h ASN 23 CO -0.58 0.01 -0.53 0.25 -0.00 0.00 0.00 177.43 176.58 1cey h LEU 24 N -1.01 -1.93 -0.38 0.34 6.46 -1.14 0.48 115.31 118.13 1cey h LEU 24 Ca -0.05 0.29 0.08 0.00 -0.12 0.00 0.00 57.88 58.08 1cey h LEU 24 Cb 0.52 0.85 -0.08 0.00 -0.73 0.00 0.00 40.66 41.22 1cey h LEU 24 CO 0.08 -0.22 -0.14 -0.07 -0.62 0.00 0.00 178.44 177.48 1cey h LEU 25 N -0.03 -0.49 -1.68 2.25 3.38 -0.87 0.53 115.31 118.40 1cey h LEU 25 Ca 0.14 0.13 0.29 0.00 0.09 0.00 0.00 57.88 58.53 1cey h LEU 25 Cb 0.38 0.29 -0.07 0.00 0.09 0.00 0.00 40.66 41.35 1cey h LEU 25 CO -0.82 -0.17 0.73 0.50 0.09 0.00 0.00 178.44 178.76 1cey h LYS 26 N -0.06 0.19 -0.48 1.13 3.64 0.21 0.71 116.57 121.91 1cey h LYS 26 Ca 0.19 -0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.65 1cey h LYS 26 Cb 0.35 -0.04 -0.10 0.00 -0.41 0.00 0.00 32.23 32.03 1cey h LYS 26 CO -0.43 0.13 -0.18 1.49 -2.27 0.00 0.00 179.45 178.19 1cey h GLU 27 N 0.20 -0.07 -0.06 1.90 4.57 0.26 -1.90 114.58 119.48 1cey h GLU 27 Ca 0.56 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.71 1cey h GLU 27 Cb 1.79 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 30.40 1cey h GLU 27 CO -0.15 -0.04 -0.09 1.25 -1.18 0.00 0.00 179.01 178.80 1cey h LEU 28 N -0.07 0.19 0.00 1.64 5.85 -0.91 -3.48 115.31 118.54 1cey h LEU 28 Ca 0.23 -0.52 0.00 0.00 0.84 0.00 0.00 57.88 58.43 1cey h LEU 28 Cb 0.42 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1cey h LEU 28 CO -0.53 0.68 0.00 0.61 -0.34 0.00 0.00 178.44 178.86 1cey n GLY 29 N 0.32 0.17 3.25 3.75 0.00 -0.71 -4.91 105.19 107.06 1cey n GLY 29 Ca -0.08 0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.22 -0.43 1.61 0.08 -1.25 -4.15 117.98 113.62 1cey s PHE 30 Ca 0.00 0.36 0.08 0.00 0.12 0.00 0.00 56.93 57.49 1cey s PHE 30 Cb 0.00 0.11 0.30 0.00 -0.57 0.00 0.00 43.02 42.86 1cey s PHE 30 CO 0.00 -0.39 0.84 -1.71 -0.10 0.00 0.00 175.22 173.86 1cey n ASN 31 N 1.37 -1.02 -3.15 1.36 4.05 -1.25 -4.28 115.26 112.34 1cey n ASN 31 Ca -0.21 -3.22 0.06 0.00 0.45 0.00 0.00 54.58 51.66 1cey n ASN 31 Cb 0.56 0.65 -0.01 0.00 1.23 0.00 0.00 39.78 42.21 1cey n ASN 31 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 177.26 174.42 1cey s ASN 32 N -1.68 -0.25 0.01 1.20 2.47 -1.26 -4.88 114.94 110.54 1cey s ASN 32 Ca 0.32 0.08 -0.15 0.00 0.42 0.00 0.00 52.86 53.52 1cey s ASN 32 Cb 0.27 1.18 0.02 0.00 -1.45 0.00 0.00 41.25 41.28 1cey s ASN 32 CO -0.11 -0.05 0.32 0.54 -3.72 0.00 0.00 177.10 174.08 1cey s VAL 33 N 2.97 0.06 0.02 -5.21 0.11 -1.26 -1.91 120.40 115.19 1cey s VAL 33 Ca 0.16 -0.53 0.00 0.00 -2.93 0.00 0.00 61.98 58.68 1cey s VAL 33 Cb -0.04 -0.75 -0.00 0.00 -1.53 0.00 0.00 36.38 34.06 1cey s VAL 33 CO -0.17 -0.29 0.00 -0.62 -3.33 0.00 0.00 175.10 170.69 1cey n GLU 34 N 1.00 1.89 -3.85 1.54 -0.58 -0.71 -4.95 120.64 114.98 1cey n GLU 34 Ca -0.20 -0.17 -0.10 0.00 -0.42 0.00 0.00 57.16 56.26 1cey n GLU 34 Cb 0.57 0.05 -0.08 0.00 -0.57 0.00 0.00 31.44 31.41 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 -2.08 0.72 0.00 3.49 8.01 -1.26 -2.59 118.70 124.99 1cey s GLU 35 Ca 0.00 -0.71 0.00 0.00 0.01 0.00 0.00 54.97 54.27 1cey s GLU 35 Cb 0.00 0.30 0.00 0.00 -4.31 0.00 0.00 34.13 30.12 1cey s GLU 35 CO 0.00 -0.21 0.00 0.00 0.01 0.00 0.00 175.26 175.06 1cey n ALA 36 N 0.52 0.00 -0.18 5.21 0.00 -1.03 -4.95 120.51 120.07 1cey n ALA 36 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1cey n ALA 36 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1cey n ALA 36 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1cey n GLU 37 N 0.00 0.67 -1.04 0.00 1.02 -1.26 -3.42 120.64 116.61 1cey n GLU 37 Ca 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1cey n GLU 37 Cb 0.00 -0.17 0.00 0.00 -0.02 0.00 0.00 31.44 31.25 1cey n GLU 37 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1cey n ASP 38 N -0.10 0.00 0.12 1.62 -0.08 -1.26 -4.54 116.55 112.31 1cey n ASP 38 Ca 0.00 -0.56 -0.00 0.00 -1.51 0.00 0.00 54.79 52.72 1cey n ASP 38 Cb 0.05 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.52 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 0.00 1.00 0.27 0.00 -1.90 0.10 103.07 102.54 1cey h GLY 39 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.12 1cey h GLY 39 CO 0.00 0.00 -0.81 -0.24 0.00 0.00 0.00 176.54 175.49 1cey h VAL 40 N 0.00 1.35 -0.28 4.60 3.04 -1.95 0.43 116.25 123.44 1cey h VAL 40 Ca -0.01 -2.14 -0.09 0.00 -1.01 0.00 0.00 66.70 63.46 1cey h VAL 40 Cb 1.45 2.45 -0.01 0.00 -2.01 0.00 0.00 31.29 33.17 1cey h VAL 40 CO 0.08 0.64 -0.19 -0.78 -1.01 0.00 0.00 177.57 176.32 1cey h ASP 41 N 0.17 0.64 0.22 3.17 3.58 -1.92 -2.61 116.42 119.66 1cey h ASP 41 Ca -0.10 -0.44 -0.01 0.00 0.42 0.00 0.00 57.03 56.91 1cey h ASP 41 Cb 1.49 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 42.36 1cey h ASP 41 CO 0.16 0.94 -0.10 0.00 -2.88 0.00 0.00 179.24 177.36 1cey h ALA 42 N 0.72 -0.29 -1.22 -0.78 0.00 -0.99 -2.31 119.26 114.39 1cey h ALA 42 Ca 0.05 -0.15 0.39 0.00 0.00 0.00 0.00 54.91 55.21 1cey h ALA 42 Cb 0.73 0.11 -0.13 0.00 0.00 0.00 0.00 17.79 18.50 1cey h ALA 42 CO 0.05 -0.55 0.77 1.25 0.00 0.00 0.00 179.25 180.78 1cey h LEU 43 N -0.53 0.31 -0.58 0.00 6.46 -0.10 2.50 115.31 123.37 1cey h LEU 43 Ca -0.03 0.14 -0.16 0.00 -0.12 0.00 0.00 57.88 57.72 1cey h LEU 43 Cb 0.39 0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.43 1cey h LEU 43 CO 0.05 -0.15 -0.58 0.78 -0.62 0.00 0.00 178.44 177.91 1cey h ASN 44 N 0.15 0.46 0.00 1.25 2.35 -1.03 -3.15 115.58 115.61 1cey h ASN 44 Ca 0.78 -0.25 -0.10 0.00 -0.55 0.00 0.00 56.30 56.18 1cey h ASN 44 Cb 2.29 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 40.51 1cey h ASN 44 CO -0.44 0.94 -0.64 0.11 -1.65 0.00 0.00 177.43 175.75 1cey h LYS 45 N 0.31 0.00 -0.46 0.81 1.79 0.39 -3.32 116.57 116.09 1cey h LYS 45 Ca -0.00 0.00 0.13 0.00 -2.18 0.00 0.00 60.65 58.60 1cey h LYS 45 Cb 1.11 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.74 1cey h LYS 45 CO 0.10 0.64 1.05 -0.07 -1.08 0.00 0.00 179.45 180.09 1cey h LEU 46 N -1.00 0.00 -0.78 2.94 -0.00 0.24 0.53 115.31 117.24 1cey h LEU 46 Ca -0.15 0.00 0.13 0.00 -0.00 0.00 0.00 57.88 57.87 1cey h LEU 46 Cb 0.88 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 41.45 1cey h LEU 46 CO -0.09 0.00 0.36 -0.61 -0.00 0.00 0.00 178.44 178.10 1cey h GLN 47 N 0.00 0.52 -0.37 1.13 5.75 -1.64 -0.70 115.11 119.81 1cey h GLN 47 Ca 0.22 -0.03 0.07 0.00 -0.15 0.00 0.00 58.65 58.75 1cey h GLN 47 Cb 2.31 -0.12 -0.09 0.00 1.07 0.00 0.00 27.48 30.66 1cey h GLN 47 CO -0.00 0.35 -0.43 0.00 -2.65 0.00 0.00 178.83 176.09 1cey h ALA 48 N 1.53 -0.47 0.00 3.38 0.00 -0.18 -3.45 119.26 120.08 1cey h ALA 48 Ca 0.42 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1cey h ALA 48 Cb 0.59 0.89 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1cey h ALA 48 CO -0.36 -0.88 0.00 0.41 0.00 0.00 0.00 179.25 178.42 1cey n GLY 49 N -1.42 3.10 0.00 0.00 0.00 -0.27 -4.81 105.19 101.79 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 -2.00 -0.27 3.57 -0.02 0.00 -1.26 -4.20 105.19 101.02 1cey n GLY 50 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.52 2.33 -1.45 1.61 2.02 -1.26 -4.46 117.35 113.62 1cey s TYR 51 Ca 0.00 -0.50 0.00 0.00 -0.37 0.00 0.00 57.07 56.20 1cey s TYR 51 Cb 0.00 -4.41 0.00 0.00 -0.40 0.00 0.00 41.96 37.15 1cey s TYR 51 CO 0.00 -1.66 0.65 0.41 -1.57 0.00 0.00 175.55 173.38 1cey n GLY 52 N 6.08 -0.18 3.44 0.71 0.00 -1.10 -4.47 105.19 109.67 1cey n GLY 52 Ca 0.43 0.00 -0.15 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 -2.29 -0.56 -0.09 1.61 5.36 -0.73 -4.12 117.98 117.15 1cey s PHE 53 Ca 0.00 1.19 -0.03 0.00 -0.96 0.00 0.00 56.93 57.13 1cey s PHE 53 Cb 0.00 0.25 0.05 0.00 -0.34 0.00 0.00 43.02 42.97 1cey s PHE 53 CO 0.00 -0.40 0.10 0.08 -1.46 0.00 0.00 175.22 173.54 1cey s VAL 54 N -0.41 -0.15 -0.29 3.12 1.01 -0.86 -2.02 120.40 120.80 1cey s VAL 54 Ca -0.05 0.23 -0.09 0.00 0.00 0.00 0.00 61.98 62.06 1cey s VAL 54 Cb -0.03 -0.32 -0.02 0.00 0.00 0.00 0.00 36.38 36.00 1cey s VAL 54 CO 0.04 0.03 0.13 -0.63 0.00 0.00 0.00 175.10 174.67 1cey s ILE 55 N 2.20 4.63 0.37 2.22 1.01 -0.10 -1.99 121.20 129.53 1cey s ILE 55 Ca 0.04 -0.26 0.08 0.00 0.00 0.00 0.00 60.65 60.52 1cey s ILE 55 Cb -0.13 -3.28 -0.07 0.00 0.01 0.00 0.00 42.46 38.99 1cey s ILE 55 CO -0.06 0.18 -0.05 -0.94 0.00 0.00 0.00 174.94 174.06 1cey s SER 56 N 1.64 3.78 0.00 3.58 1.04 -1.23 -2.50 113.70 120.01 1cey s SER 56 Ca 0.05 -1.27 0.00 0.00 0.48 0.00 0.00 55.95 55.22 1cey s SER 56 Cb -0.16 -0.37 0.00 0.00 0.10 0.00 0.00 66.02 65.59 1cey s SER 56 CO 0.06 -0.30 0.00 0.47 0.98 0.00 0.00 173.24 174.45 1cey n ASP 57 N -0.86 0.00 0.00 7.02 8.00 -1.26 -1.39 116.55 128.06 1cey n ASP 57 Ca -0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.45 1cey n ASP 57 Cb 0.65 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.75 1cey n ASP 57 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 1cey n TRP 58 N 0.00 -0.27 -2.30 1.24 -0.00 -1.26 -4.16 117.44 110.68 1cey n TRP 58 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.50 57.09 1cey n TRP 58 Cb 0.00 0.05 -0.03 0.00 -0.00 0.00 0.00 31.31 31.34 1cey n TRP 58 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 1cey s ASN 59 N 1.41 5.99 0.35 5.87 0.02 -1.26 -3.33 114.94 123.99 1cey s ASN 59 Ca 0.00 0.41 0.03 0.00 -1.02 0.00 0.00 52.86 52.29 1cey s ASN 59 Cb 0.00 -2.54 -0.04 0.00 0.02 0.00 0.00 41.25 38.69 1cey s ASN 59 CO 0.00 -1.80 0.11 -0.04 0.02 0.00 0.00 177.10 175.39 1cey s MET 60 N 5.72 1.73 0.00 -0.60 -1.94 -1.25 -5.00 119.30 117.96 1cey s MET 60 Ca 0.57 -2.01 0.01 0.00 -1.71 0.00 0.00 55.69 52.55 1cey s MET 60 Cb -0.12 -0.56 0.04 0.00 2.01 0.00 0.00 34.83 36.19 1cey s MET 60 CO 0.25 -0.37 0.63 -2.30 -0.01 0.00 0.00 175.02 173.23 1cey n PRO 61 N -0.74 0.02 -3.74 2.03 -0.02 -1.26 -3.76 135.00 127.53 1cey n PRO 61 Ca -0.03 0.09 -0.28 0.00 -2.02 0.00 0.00 63.50 61.26 1cey n PRO 61 Cb 0.66 -1.50 -0.12 0.00 -0.02 0.00 0.00 33.50 32.52 1cey n PRO 61 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1cey s ASN 62 N -2.19 3.71 0.01 2.55 0.02 -1.26 -5.02 114.94 112.75 1cey s ASN 62 Ca 0.01 -3.27 0.00 0.00 -1.02 0.00 0.00 52.86 48.57 1cey s ASN 62 Cb 0.00 -1.21 0.00 0.00 0.02 0.00 0.00 41.25 40.07 1cey s ASN 62 CO 0.01 -0.17 0.00 0.23 0.02 0.00 0.00 177.10 177.19 1cey n MET 63 N 2.69 0.00 -3.86 -0.60 2.81 -1.25 -4.60 117.12 112.31 1cey n MET 63 Ca 0.18 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 56.01 1cey n MET 63 Cb 0.37 0.00 0.02 0.00 -0.71 0.00 0.00 33.22 32.91 1cey n MET 63 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1cey s ASP 64 N -4.00 0.01 0.00 7.83 1.11 -1.26 -3.96 116.67 116.40 1cey s ASP 64 Ca 0.00 -0.87 0.00 0.00 0.18 0.00 0.00 52.55 51.86 1cey s ASP 64 Cb 0.00 0.64 0.00 0.00 1.07 0.00 0.00 42.92 44.63 1cey s ASP 64 CO 0.00 -1.28 0.42 0.61 1.18 0.00 0.00 175.17 176.11 1cey n GLY 65 N -0.64 0.09 0.11 0.21 0.00 -1.21 -3.50 105.19 100.24 1cey n GLY 65 Ca -0.05 0.00 -0.13 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 0.21 -0.13 -1.40 0.99 7.12 -1.91 -1.76 115.31 118.43 1cey h LEU 66 Ca 0.00 -0.33 0.00 0.00 0.13 0.00 0.00 57.88 57.68 1cey h LEU 66 Cb 0.13 0.03 0.00 0.00 -0.53 0.00 0.00 40.66 40.29 1cey h LEU 66 CO 0.00 0.28 0.00 -0.33 -0.13 0.00 0.00 178.44 178.26 1cey h GLU 67 N -0.57 0.00 0.00 1.25 5.08 -1.92 -1.92 114.58 116.50 1cey h GLU 67 Ca -0.02 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1cey h GLU 67 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1cey h GLU 67 CO 0.03 0.00 -0.00 -0.07 -1.00 0.00 0.00 179.01 177.97 1cey h LEU 68 N 0.00 -0.00 -0.24 1.33 3.38 -1.66 -2.52 115.31 115.60 1cey h LEU 68 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1cey h LEU 68 Cb 0.14 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 1cey h LEU 68 CO 0.00 0.13 -0.44 0.25 0.09 0.00 0.00 178.44 178.47 1cey h LEU 69 N -0.26 -1.43 -0.57 1.67 6.46 -1.26 0.22 115.31 120.14 1cey h LEU 69 Ca -0.00 0.18 0.07 0.00 -0.12 0.00 0.00 57.88 58.01 1cey h LEU 69 Cb 0.00 0.57 -0.10 0.00 -0.73 0.00 0.00 40.66 40.40 1cey h LEU 69 CO 0.00 -0.34 -0.50 0.50 -0.62 0.00 0.00 178.44 177.48 1cey h LYS 70 N -0.37 -0.25 -0.93 1.25 3.11 -1.53 0.44 116.57 118.29 1cey h LYS 70 Ca 0.04 0.02 0.15 0.00 -2.81 0.00 0.00 60.65 58.05 1cey h LYS 70 Cb 0.49 0.06 -0.09 0.00 -1.00 0.00 0.00 32.23 31.69 1cey h LYS 70 CO -0.42 -0.17 0.54 1.79 -2.81 0.00 0.00 179.45 178.38 1cey h THR 71 N -0.26 0.79 -0.57 1.00 1.35 -0.85 1.05 112.91 115.43 1cey h THR 71 Ca 0.14 -0.27 -0.05 0.00 -0.55 0.00 0.00 66.41 65.68 1cey h THR 71 Cb 0.56 -0.06 -0.02 0.00 -1.73 0.00 0.00 68.15 66.90 1cey h THR 71 CO -0.69 0.14 0.16 0.40 -0.25 0.00 0.00 175.52 175.29 1cey h ILE 72 N 0.78 1.24 -0.00 6.82 2.04 0.29 -2.07 117.51 126.61 1cey h ILE 72 Ca 0.50 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1cey h ILE 72 Cb 0.64 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 1cey h ILE 72 CO -0.33 0.31 -0.12 -2.11 0.00 0.00 0.00 178.15 175.91 1cey n ARG 73 N -4.42 0.68 0.02 2.37 1.85 0.90 -3.54 116.66 114.52 1cey n ARG 73 Ca 0.03 -0.24 -0.06 0.00 -1.00 0.00 0.00 57.85 56.58 1cey n ARG 73 Cb 0.21 -1.50 -0.12 0.00 -1.05 0.00 0.00 32.46 30.01 1cey n ARG 73 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1cey h ALA 74 N 3.60 0.64 -3.00 2.89 0.00 0.17 -3.41 119.26 120.15 1cey h ALA 74 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 54.91 53.74 1cey h ALA 74 Cb 0.37 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1cey h ALA 74 CO 0.00 1.35 0.00 -0.25 0.00 0.00 0.00 179.25 180.35 1cey n ASP 75 N -3.12 0.00 0.00 0.00 9.92 -0.99 -5.02 116.55 117.35 1cey n ASP 75 Ca -0.10 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.16 1cey n ASP 75 Cb 0.97 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.45 1cey n ASP 75 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1cey n GLY 76 N 0.00 -1.40 0.29 0.44 0.00 -1.26 -4.91 105.19 98.35 1cey n GLY 76 Ca 0.00 0.51 0.06 0.00 0.00 0.00 0.00 46.02 46.59 1cey n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cey h ALA 77 N 0.00 1.85 -0.46 4.61 0.00 -1.96 0.19 119.26 123.48 1cey h ALA 77 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1cey h ALA 77 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1cey h ALA 77 CO 0.00 0.13 0.00 -1.33 0.00 0.00 0.00 179.25 178.05 1cey n MET 78 N -4.50 2.11 -0.60 0.00 2.00 -1.26 -4.46 117.12 110.40 1cey n MET 78 Ca 0.01 -1.68 -0.05 0.00 0.00 0.00 0.00 57.70 55.98 1cey n MET 78 Cb 0.09 -1.38 -0.06 0.00 0.00 0.00 0.00 33.22 31.87 1cey n MET 78 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1cey n SER 79 N 0.85 4.37 0.00 7.83 3.41 0.65 -3.06 113.62 127.67 1cey n SER 79 Ca 0.16 -2.23 0.00 0.00 -0.26 0.00 0.00 58.87 56.54 1cey n SER 79 Cb 0.40 -1.04 0.00 0.00 -0.26 0.00 0.00 64.21 63.31 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 2.05 0.86 -2.28 7.33 0.00 -1.26 -4.86 120.51 122.35 1cey n ALA 80 Ca 0.16 -0.21 -0.43 0.00 0.00 0.00 0.00 53.44 52.96 1cey n ALA 80 Cb 0.57 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.00 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 0.00 4.25 -0.13 0.00 1.43 -1.17 -4.92 118.68 118.13 1cey s LEU 81 Ca 0.00 1.92 -0.29 0.00 -1.03 0.00 0.00 54.13 54.73 1cey s LEU 81 Cb 0.00 -3.54 -0.06 0.00 0.03 0.00 0.00 46.19 42.62 1cey s LEU 81 CO 0.00 -0.79 2.08 -2.84 0.23 0.00 0.00 176.35 175.03 1cey s PRO 82 N 3.40 3.53 -0.44 1.29 0.01 -1.26 -4.83 135.00 136.70 1cey s PRO 82 Ca 0.62 2.18 -0.12 0.00 0.01 0.00 0.00 61.00 63.69 1cey s PRO 82 Cb -0.27 -4.27 0.07 0.00 0.01 0.00 0.00 34.50 30.04 1cey s PRO 82 CO 0.21 -1.65 0.32 0.08 0.01 0.00 0.00 177.00 175.97 1cey s VAL 83 N 6.74 4.75 -0.52 3.83 1.01 -1.26 -2.04 120.40 132.91 1cey s VAL 83 Ca 0.94 -1.18 -0.22 0.00 0.00 0.00 0.00 61.98 61.53 1cey s VAL 83 Cb -0.35 -3.84 0.05 0.00 0.00 0.00 0.00 36.38 32.23 1cey s VAL 83 CO 0.37 -0.51 0.77 -0.22 0.00 0.00 0.00 175.10 175.51 1cey s LEU 84 N 1.54 4.54 -0.14 3.92 2.96 -0.84 -1.46 118.68 129.20 1cey s LEU 84 Ca 0.03 -0.62 -0.29 0.00 -0.22 0.00 0.00 54.13 53.03 1cey s LEU 84 Cb -0.23 -2.64 -0.01 0.00 0.50 0.00 0.00 46.19 43.81 1cey s LEU 84 CO 0.05 -1.04 1.02 0.00 -1.32 0.00 0.00 176.35 175.06 1cey s MET 85 N 3.25 4.38 -0.05 1.98 0.23 -1.04 -3.50 119.30 124.55 1cey s MET 85 Ca 0.23 1.39 0.02 0.00 -1.03 0.00 0.00 55.69 56.30 1cey s MET 85 Cb -0.16 -3.57 -0.03 0.00 -1.53 0.00 0.00 34.83 29.54 1cey s MET 85 CO 0.16 -0.40 -0.08 0.14 -2.03 0.00 0.00 175.02 172.81 1cey s VAL 86 N 2.33 3.58 0.30 5.16 -7.23 -0.49 -2.35 120.40 121.70 1cey s VAL 86 Ca 0.47 -0.58 -0.07 0.00 -1.81 0.00 0.00 61.98 59.99 1cey s VAL 86 Cb -0.18 -2.47 0.00 0.00 0.56 0.00 0.00 36.38 34.30 1cey s VAL 86 CO 0.15 0.56 0.49 0.28 -0.31 0.00 0.00 175.10 176.27 1cey s THR 87 N -0.83 0.00 -0.04 5.32 -1.32 -1.01 -4.19 115.64 113.56 1cey s THR 87 Ca 0.13 -1.50 -0.06 0.00 -1.21 0.00 0.00 61.69 59.05 1cey s THR 87 Cb -0.11 -2.50 -0.02 0.00 -1.51 0.00 0.00 72.50 68.36 1cey s THR 87 CO 0.02 0.00 -0.12 0.00 -2.21 0.00 0.00 174.62 172.31 1cey n ALA 88 N -0.48 1.34 -1.21 11.08 0.00 -1.26 0.14 120.51 130.12 1cey n ALA 88 Ca -0.01 -0.36 -0.36 0.00 0.00 0.00 0.00 53.44 52.71 1cey n ALA 88 Cb 0.62 0.06 -0.02 0.00 0.00 0.00 0.00 19.45 20.10 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 -3.37 2.66 -1.93 0.00 4.71 -1.26 -4.74 120.64 116.72 1cey n GLU 89 Ca -0.05 -2.01 -0.26 0.00 -0.01 0.00 0.00 57.16 54.83 1cey n GLU 89 Cb 0.18 -2.83 -0.05 0.00 -1.01 0.00 0.00 31.44 27.73 1cey n GLU 89 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1cey s ALA 90 N 3.25 1.54 0.07 0.62 0.00 -1.26 -4.91 121.76 121.07 1cey s ALA 90 Ca 0.54 -1.16 -0.11 0.00 0.00 0.00 0.00 51.96 51.22 1cey s ALA 90 Cb 0.14 -4.51 -0.06 0.00 0.00 0.00 0.00 23.12 18.69 1cey s ALA 90 CO -0.03 -4.89 0.42 0.21 0.00 0.00 0.00 175.76 171.47 1cey s LYS 91 N 7.46 3.82 0.62 0.00 2.20 -1.26 -4.84 119.74 127.73 1cey s LYS 91 Ca 0.76 0.26 0.25 0.00 -0.36 0.00 0.00 55.97 56.88 1cey s LYS 91 Cb -0.09 -3.03 1.18 0.00 -1.51 0.00 0.00 37.83 34.37 1cey s LYS 91 CO 0.05 0.58 1.62 -0.22 -0.36 0.00 0.00 175.35 177.02 1cey h LYS 92 N 3.88 0.00 0.04 4.03 1.63 -1.98 0.24 116.57 124.41 1cey h LYS 92 Ca -0.50 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.30 1cey h LYS 92 Cb 1.20 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 1cey h LYS 92 CO 0.65 0.00 -0.02 0.93 -3.45 0.00 0.00 179.45 177.56 1cey h GLU 93 N 0.00 -0.05 -0.22 1.90 5.08 -1.97 -3.22 114.58 116.10 1cey h GLU 93 Ca 0.24 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.54 1cey h GLU 93 Cb 1.72 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.98 1cey h GLU 93 CO -0.00 0.50 -0.13 -0.97 -1.00 0.00 0.00 179.01 177.40 1cey h ASN 94 N -0.96 0.49 -1.13 1.42 -1.24 -1.37 -1.70 115.58 111.08 1cey h ASN 94 Ca -0.01 -0.43 0.32 0.00 0.71 0.00 0.00 56.30 56.90 1cey h ASN 94 Cb 0.57 -0.14 -0.05 0.00 0.73 0.00 0.00 38.32 39.43 1cey h ASN 94 CO 0.01 0.81 0.81 0.40 -1.29 0.00 0.00 177.43 178.16 1cey h ILE 95 N 0.17 0.44 0.00 2.57 2.04 -0.78 1.34 117.51 123.28 1cey h ILE 95 Ca 0.04 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 1cey h ILE 95 Cb 0.64 0.41 -0.00 0.00 -0.74 0.00 0.00 36.82 37.12 1cey h ILE 95 CO 0.04 0.01 -1.02 0.40 0.00 0.00 0.00 178.15 177.58 1cey h ILE 96 N 0.03 0.04 -0.38 -0.67 2.04 -1.48 -3.21 117.51 113.87 1cey h ILE 96 Ca 0.54 -1.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 1cey h ILE 96 Cb 2.12 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 39.73 1cey h ILE 96 CO -0.03 0.02 0.20 0.00 0.00 0.00 0.00 178.15 178.34 1cey h ALA 97 N 1.96 0.48 0.14 1.87 0.00 0.27 1.02 119.26 125.00 1cey h ALA 97 Ca -0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1cey h ALA 97 Cb 1.04 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1cey h ALA 97 CO 0.00 0.03 -0.06 0.00 0.00 0.00 0.00 179.25 179.21 1cey h ALA 98 N 1.05 -0.18 -0.30 0.00 0.00 -1.63 -3.09 119.26 115.12 1cey h ALA 98 Ca 0.13 -0.24 0.09 0.00 0.00 0.00 0.00 54.91 54.89 1cey h ALA 98 Cb 0.08 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1cey h ALA 98 CO -0.02 -0.25 0.27 0.00 0.00 0.00 0.00 179.25 179.25 1cey h ALA 99 N -0.31 2.07 -0.78 0.00 0.00 -1.55 0.87 119.26 119.56 1cey h ALA 99 Ca -0.02 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.04 1cey h ALA 99 Cb 0.53 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 1cey h ALA 99 CO 0.03 -0.43 0.52 1.96 0.00 0.00 0.00 179.25 181.33 1cey h GLN 100 N 0.00 0.37 0.00 0.00 1.08 0.12 2.92 115.11 119.60 1cey h GLN 100 Ca 0.14 -0.02 -0.12 0.00 -1.45 0.00 0.00 58.65 57.20 1cey h GLN 100 Cb 0.69 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 28.01 1cey h GLN 100 CO -0.00 0.24 -0.77 0.00 -0.95 0.00 0.00 178.83 177.36 1cey h ALA 101 N 1.64 0.66 -4.48 3.87 0.00 0.61 -3.49 119.26 118.07 1cey h ALA 101 Ca 0.39 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1cey h ALA 101 Cb 0.95 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1cey h ALA 101 CO -0.12 0.69 -0.19 0.41 0.00 0.00 0.00 179.25 180.04 1cey n GLY 102 N 1.27 -1.01 0.00 0.00 0.00 0.98 -4.96 105.19 101.47 1cey n GLY 102 Ca -0.01 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.55 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 -0.83 0.00 -0.10 4.61 0.00 -1.26 -4.98 120.51 117.95 1cey n ALA 103 Ca 0.04 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.32 1cey n ALA 103 Cb 0.38 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.75 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 0.00 1.86 0.00 0.00 7.64 -0.54 -4.69 113.62 117.89 1cey n SER 104 Ca 0.00 0.48 0.00 0.00 1.01 0.00 0.00 58.87 60.36 1cey n SER 104 Cb 0.00 -0.91 0.00 0.00 -1.01 0.00 0.00 64.21 62.29 1cey n SER 104 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cey n GLY 105 N 1.47 -0.61 2.84 0.23 0.00 -1.25 -4.99 105.19 102.88 1cey n GLY 105 Ca -0.26 -0.78 -0.13 0.00 0.00 0.00 0.00 46.02 44.85 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 -3.00 0.04 -0.06 1.61 5.04 -1.26 -2.49 117.35 117.23 1cey s TYR 106 Ca 0.00 0.04 -0.01 0.00 -2.44 0.00 0.00 57.07 54.66 1cey s TYR 106 Cb 0.00 -0.10 0.03 0.00 0.35 0.00 0.00 41.96 42.23 1cey s TYR 106 CO 0.00 -0.03 0.00 0.54 -1.34 0.00 0.00 175.55 174.72 1cey s VAL 107 N 0.36 0.32 1.14 3.14 0.11 -0.99 -5.01 120.40 119.48 1cey s VAL 107 Ca -0.03 0.12 -0.17 0.00 -2.93 0.00 0.00 61.98 58.97 1cey s VAL 107 Cb -0.05 -0.47 0.21 0.00 -1.53 0.00 0.00 36.38 34.54 1cey s VAL 107 CO -0.01 0.24 0.40 0.52 -3.33 0.00 0.00 175.10 172.91 1cey n VAL 108 N 4.94 0.00 -3.72 2.04 0.31 -1.26 -2.42 118.33 118.22 1cey n VAL 108 Ca -0.11 -0.12 -0.14 0.00 -0.01 0.00 0.00 64.34 63.96 1cey n VAL 108 Cb 0.50 -0.65 -0.08 0.00 -0.91 0.00 0.00 33.84 32.70 1cey n VAL 108 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1cey s LYS 109 N -3.84 0.72 0.29 5.55 0.00 0.38 -4.07 119.74 118.77 1cey s LYS 109 Ca 0.49 -0.08 -0.29 0.00 0.00 0.00 0.00 55.97 56.09 1cey s LYS 109 Cb -0.10 0.32 -0.10 0.00 0.00 0.00 0.00 37.83 37.96 1cey s LYS 109 CO 0.48 -0.20 1.14 -1.25 0.00 0.00 0.00 175.35 175.52 1cey s PRO 110 N -1.22 4.59 0.33 1.78 0.05 -1.26 -4.41 135.00 134.85 1cey s PRO 110 Ca -0.12 1.88 0.05 0.00 0.05 0.00 0.00 61.00 62.86 1cey s PRO 110 Cb -0.04 -3.17 -0.01 0.00 0.05 0.00 0.00 34.50 31.32 1cey s PRO 110 CO 0.05 0.13 0.47 -0.59 0.05 0.00 0.00 177.00 177.11 1cey s PHE 111 N -1.13 3.22 0.12 0.56 -0.12 -1.26 -5.09 117.98 114.28 1cey s PHE 111 Ca 0.45 -0.10 -0.11 0.00 -0.05 0.00 0.00 56.93 57.12 1cey s PHE 111 Cb -0.33 -1.93 -0.06 0.00 -0.63 0.00 0.00 43.02 40.06 1cey s PHE 111 CO 0.43 0.06 0.46 0.99 -0.05 0.00 0.00 175.22 177.11 1cey s THR 112 N -2.18 5.01 0.45 -4.49 2.01 -1.26 -4.83 115.64 110.35 1cey s THR 112 Ca 0.43 0.53 0.26 0.00 0.31 0.00 0.00 61.69 63.21 1cey s THR 112 Cb -0.09 -3.67 0.46 0.00 0.01 0.00 0.00 72.50 69.21 1cey s THR 112 CO 0.32 0.21 1.75 0.00 -0.69 0.00 0.00 174.62 176.21 1cey h ALA 113 N 3.46 2.60 -0.21 7.40 0.00 -1.98 2.01 119.26 132.53 1cey h ALA 113 Ca -0.48 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.36 1cey h ALA 113 Cb 1.19 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1cey h ALA 113 CO 0.67 -1.03 -0.32 0.00 0.00 0.00 0.00 179.25 178.58 1cey h ALA 114 N 1.55 1.06 0.15 0.00 0.00 -1.97 0.38 119.26 120.43 1cey h ALA 114 Ca 0.63 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1cey h ALA 114 Cb 1.95 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1cey h ALA 114 CO -0.23 0.58 -0.07 1.15 0.00 0.00 0.00 179.25 180.67 1cey h THR 115 N 0.37 0.00 -1.00 0.00 2.02 0.28 0.67 112.91 115.26 1cey h THR 115 Ca 0.05 -0.16 0.25 0.00 0.77 0.00 0.00 66.41 67.32 1cey h THR 115 Cb 0.74 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 67.03 1cey h THR 115 CO 0.06 0.00 0.59 0.25 0.37 0.00 0.00 175.52 176.78 1cey h LEU 116 N -0.36 0.66 0.09 2.58 5.85 -1.13 -0.38 115.31 122.62 1cey h LEU 116 Ca -0.02 0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 1cey h LEU 116 Cb 0.15 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1cey h LEU 116 CO 0.03 0.09 -0.05 -0.08 -0.34 0.00 0.00 178.44 178.10 1cey h GLU 117 N 0.56 -0.12 -0.26 1.25 4.22 -0.21 0.16 114.58 120.19 1cey h GLU 117 Ca 0.65 0.01 0.07 0.00 0.08 0.00 0.00 59.36 60.17 1cey h GLU 117 Cb 1.24 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 1cey h GLU 117 CO -0.48 -0.08 0.94 1.49 -2.18 0.00 0.00 179.01 178.70 1cey h GLU 118 N -0.19 0.00 0.03 1.92 4.81 0.73 0.71 114.58 122.59 1cey h GLU 118 Ca -0.01 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.95 1cey h GLU 118 Cb 0.10 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 1cey h GLU 118 CO 0.02 0.00 -1.45 1.63 -0.73 0.00 0.00 179.01 178.48 1cey n LYS 119 N -2.77 0.61 0.15 1.92 4.76 -0.18 -3.71 118.16 118.93 1cey n LYS 119 Ca 0.05 0.50 -0.13 0.00 -2.87 0.00 0.00 58.31 55.86 1cey n LYS 119 Cb 1.03 -1.74 -0.06 0.00 -1.84 0.00 0.00 35.03 32.42 1cey n LYS 119 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1cey h LEU 120 N -0.74 -0.74 -0.69 -0.35 3.38 0.34 -2.09 115.31 114.42 1cey h LEU 120 Ca -0.37 0.08 0.14 0.00 0.09 0.00 0.00 57.88 57.81 1cey h LEU 120 Cb 1.49 0.27 -0.13 0.00 0.09 0.00 0.00 40.66 42.38 1cey h LEU 120 CO -0.14 -0.37 -0.17 0.78 0.09 0.00 0.00 178.44 178.63 1cey h ASN 121 N -0.52 -0.63 -0.24 -0.43 4.21 -1.40 1.29 115.58 117.86 1cey h ASN 121 Ca 0.01 0.20 0.07 0.00 1.21 0.00 0.00 56.30 57.79 1cey h ASN 121 Cb 0.51 0.42 -0.01 0.00 -1.12 0.00 0.00 38.32 38.13 1cey h ASN 121 CO -0.11 -0.22 0.20 0.11 -1.29 0.00 0.00 177.43 176.12 1cey h LYS 122 N 0.00 0.00 0.16 0.81 1.57 -1.50 -2.13 116.57 115.49 1cey h LYS 122 Ca 0.33 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.78 1cey h LYS 122 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1cey h LYS 122 CO -0.70 0.00 -1.70 0.82 -0.57 0.00 0.00 179.45 177.30 1cey h ILE 123 N 0.00 0.92 0.00 1.86 2.04 0.20 -3.31 117.51 119.22 1cey h ILE 123 Ca 0.11 -2.46 0.00 0.00 1.00 0.00 0.00 64.86 63.51 1cey h ILE 123 Cb 0.50 2.72 0.00 0.00 -0.74 0.00 0.00 36.82 39.30 1cey h ILE 123 CO -0.00 0.83 0.00 0.49 0.00 0.00 0.00 178.15 179.46 1cey n PHE 124 N -3.67 0.00 0.27 1.37 3.72 0.13 -1.70 117.46 117.59 1cey n PHE 124 Ca -0.26 0.00 0.16 0.00 -0.05 0.00 0.00 57.45 57.31 1cey n PHE 124 Cb 1.03 -0.33 0.60 0.00 -0.94 0.00 0.00 39.48 39.84 1cey n PHE 124 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1cey h GLU 125 N 0.00 0.00 0.00 -1.08 4.57 -1.50 0.82 114.58 117.39 1cey h GLU 125 Ca 0.00 0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 57.84 1cey h GLU 125 Cb 0.14 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.67 1cey h GLU 125 CO 0.00 0.00 -2.27 1.17 -1.18 0.00 0.00 179.01 176.73 1cey n LYS 126 N -3.07 0.68 0.14 1.92 3.00 -0.69 -4.20 118.16 115.94 1cey n LYS 126 Ca 0.01 0.03 0.09 0.00 -0.00 0.00 0.00 58.31 58.44 1cey n LYS 126 Cb 0.34 -1.56 0.05 0.00 0.00 0.00 0.00 35.03 33.86 1cey n LYS 126 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 1cey h LEU 127 N 0.00 0.00 -3.41 3.14 6.46 -1.40 -3.48 115.31 116.61 1cey h LEU 127 Ca -0.49 0.00 -0.36 0.00 -0.12 0.00 0.00 57.88 56.91 1cey h LEU 127 Cb 2.16 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 42.10 1cey h LEU 127 CO 0.04 0.15 -1.00 0.61 -0.62 0.00 0.00 178.44 177.62 1cey n GLY 128 N 1.19 -0.68 0.64 3.75 0.00 0.28 -5.06 105.19 105.31 1cey n GLY 128 Ca 0.00 0.90 0.13 0.00 0.00 0.00 0.00 46.02 47.05 1cey n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35