#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 -9.59 -1.37 0.00 9.92 -1.26 -4.65 116.55 109.59 1cey n ASP 3 Ca 0.00 1.37 -0.03 0.00 -0.53 0.00 0.00 54.79 55.60 1cey n ASP 3 Cb 0.00 -5.15 0.16 0.00 -0.64 0.00 0.00 41.12 35.49 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 0.57 2.44 -2.55 -1.24 4.76 -1.26 -4.16 118.16 116.72 1cey n LYS 4 Ca 0.00 -1.57 -0.02 0.00 -2.87 0.00 0.00 58.31 53.85 1cey n LYS 4 Cb 0.00 -1.77 0.11 0.00 -1.84 0.00 0.00 35.03 31.53 1cey n LYS 4 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1cey n GLU 5 N 0.06 1.21 -2.09 1.97 -0.00 -1.26 -3.39 120.64 117.14 1cey n GLU 5 Ca 0.21 -1.12 -0.42 0.00 -0.00 0.00 0.00 57.16 55.83 1cey n GLU 5 Cb 0.88 0.35 -0.03 0.00 -0.00 0.00 0.00 31.44 32.64 1cey n GLU 5 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1cey s LEU 6 N -3.62 4.39 -0.16 -1.84 2.96 -1.26 -4.76 118.68 114.40 1cey s LEU 6 Ca 0.09 2.53 -0.29 0.00 -0.22 0.00 0.00 54.13 56.23 1cey s LEU 6 Cb 0.40 -3.61 -0.02 0.00 0.50 0.00 0.00 46.19 43.46 1cey s LEU 6 CO -0.11 -0.66 1.27 -0.54 -1.32 0.00 0.00 176.35 174.98 1cey s LYS 7 N 0.18 4.24 0.06 1.98 1.02 -1.26 -4.58 119.74 121.38 1cey s LYS 7 Ca 0.61 1.67 0.04 0.00 0.02 0.00 0.00 55.97 58.32 1cey s LYS 7 Cb -0.40 -3.75 -0.04 0.00 -0.52 0.00 0.00 37.83 33.12 1cey s LYS 7 CO 0.38 -0.69 -0.03 -0.06 -0.92 0.00 0.00 175.35 174.03 1cey s PHE 8 N 3.42 2.95 -0.17 3.18 0.40 -0.85 -1.72 117.98 125.18 1cey s PHE 8 Ca 0.55 -0.03 0.01 0.00 -0.60 0.00 0.00 56.93 56.86 1cey s PHE 8 Cb -0.22 -1.55 0.03 0.00 0.51 0.00 0.00 43.02 41.78 1cey s PHE 8 CO 0.15 0.45 -0.16 -1.17 0.70 0.00 0.00 175.22 175.19 1cey s LEU 9 N -2.02 2.03 -0.41 -0.37 2.96 -0.79 -1.83 118.68 118.24 1cey s LEU 9 Ca 0.23 -0.64 -0.07 0.00 -0.22 0.00 0.00 54.13 53.42 1cey s LEU 9 Cb -0.11 -1.33 0.09 0.00 0.50 0.00 0.00 46.19 45.33 1cey s LEU 9 CO 0.14 -0.05 0.23 -0.69 -1.32 0.00 0.00 176.35 174.66 1cey s VAL 10 N 1.37 3.90 -0.33 1.68 1.01 -1.05 0.70 120.40 127.68 1cey s VAL 10 Ca 0.04 -1.57 0.02 0.00 0.00 0.00 0.00 61.98 60.47 1cey s VAL 10 Cb -0.14 -3.44 0.42 0.00 0.00 0.00 0.00 36.38 33.23 1cey s VAL 10 CO -0.11 -0.53 1.69 0.52 0.00 0.00 0.00 175.10 176.67 1cey n VAL 11 N 4.82 2.59 -1.13 2.92 0.31 -0.99 -2.49 118.33 124.36 1cey n VAL 11 Ca -0.08 -1.44 -0.32 0.00 -0.01 0.00 0.00 64.34 62.49 1cey n VAL 11 Cb 0.42 -0.76 0.12 0.00 -0.91 0.00 0.00 33.84 32.72 1cey n VAL 11 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1cey s ASP 12 N -0.55 3.79 -0.12 4.52 -1.08 -1.26 -4.54 116.67 117.43 1cey s ASP 12 Ca 0.39 2.18 0.13 0.00 -0.52 0.00 0.00 52.55 54.74 1cey s ASP 12 Cb 0.33 -2.57 -0.24 0.00 -1.46 0.00 0.00 42.92 38.98 1cey s ASP 12 CO 0.06 -2.52 0.35 -0.67 0.52 0.00 0.00 175.17 172.91 1cey n ASP 13 N -3.43 0.61 -4.76 -0.34 -0.08 -1.26 -4.69 116.55 102.60 1cey n ASP 13 Ca 0.12 0.20 -0.35 0.00 -1.51 0.00 0.00 54.79 53.25 1cey n ASP 13 Cb 0.51 0.34 0.02 0.00 2.34 0.00 0.00 41.12 44.33 1cey n ASP 13 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 1cey s PHE 14 N -2.55 2.51 -0.14 -0.67 0.08 -1.26 -4.94 117.98 111.01 1cey s PHE 14 Ca -0.09 1.53 0.19 0.00 0.12 0.00 0.00 56.93 58.68 1cey s PHE 14 Cb 0.07 -3.38 -0.15 0.00 -0.57 0.00 0.00 43.02 38.99 1cey s PHE 14 CO 0.81 -1.92 0.75 0.45 -0.10 0.00 0.00 175.22 175.21 1cey n SER 15 N -1.53 0.66 0.07 1.36 2.88 -1.26 -4.07 113.62 111.73 1cey n SER 15 Ca 0.13 0.28 0.10 0.00 -1.33 0.00 0.00 58.87 58.05 1cey n SER 15 Cb 0.50 0.55 -0.05 0.00 -0.75 0.00 0.00 64.21 64.47 1cey n SER 15 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1cey n THR 16 N -2.74 0.53 0.08 2.46 5.66 -1.26 -4.23 114.28 114.78 1cey n THR 16 Ca -0.09 -0.55 -0.13 0.00 -3.05 0.00 0.00 64.05 60.22 1cey n THR 16 Cb 0.77 -0.29 -0.08 0.00 -1.55 0.00 0.00 70.33 69.18 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 -0.20 -1.05 1.09 -1.53 -1.97 -2.60 114.93 108.67 1cey h MET 17 Ca -0.02 0.01 0.29 0.00 -3.44 0.00 0.00 59.70 56.54 1cey h MET 17 Cb 1.06 0.05 -0.06 0.00 -0.55 0.00 0.00 31.60 32.10 1cey h MET 17 CO 0.00 0.10 0.73 0.07 0.14 0.00 0.00 176.91 177.95 1cey h ARG 18 N -0.52 0.13 -0.38 0.39 -0.00 -1.74 0.33 114.38 112.59 1cey h ARG 18 Ca -0.02 -0.01 -0.14 0.00 -0.00 0.00 0.00 59.98 59.81 1cey h ARG 18 Cb 0.40 -0.03 -0.01 0.00 -0.00 0.00 0.00 29.97 30.34 1cey h ARG 18 CO 0.04 0.09 -0.32 -0.09 -0.00 0.00 0.00 179.97 179.68 1cey h ARG 19 N 0.14 0.90 0.61 0.08 2.43 -1.64 -1.83 114.38 115.06 1cey h ARG 19 Ca 0.53 -0.45 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 1cey h ARG 19 Cb 1.83 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 31.37 1cey h ARG 19 CO -0.10 1.10 -0.40 0.82 -1.51 0.00 0.00 179.97 179.88 1cey h ILE 20 N 0.71 0.19 -0.83 1.20 2.04 -0.11 -2.67 117.51 118.04 1cey h ILE 20 Ca 0.07 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.94 1cey h ILE 20 Cb 0.91 0.19 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 1cey h ILE 20 CO 0.08 0.00 0.55 -0.37 0.00 0.00 0.00 178.15 178.41 1cey h VAL 21 N -0.96 1.20 -0.46 1.67 -1.51 -1.54 -1.79 116.25 112.85 1cey h VAL 21 Ca -0.07 -0.38 0.09 0.00 -1.23 0.00 0.00 66.70 65.11 1cey h VAL 21 Cb 0.79 -0.00 -0.10 0.00 -2.13 0.00 0.00 31.29 29.85 1cey h VAL 21 CO 0.06 0.20 -0.26 0.03 -1.23 0.00 0.00 177.57 176.37 1cey h ARG 22 N 1.11 -0.16 0.55 5.19 2.47 -1.00 0.11 114.38 122.66 1cey h ARG 22 Ca 0.31 0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 59.01 1cey h ARG 22 Cb -0.11 0.04 0.01 0.00 -1.65 0.00 0.00 29.97 28.25 1cey h ARG 22 CO -0.07 -0.10 -0.26 -0.97 0.56 0.00 0.00 179.97 179.12 1cey h ASN 23 N -0.16 -0.63 -0.99 7.04 -1.24 -1.22 -1.73 115.58 116.65 1cey h ASN 23 Ca 0.21 -0.05 0.17 0.00 0.71 0.00 0.00 56.30 57.35 1cey h ASN 23 Cb 0.50 0.16 -0.17 0.00 0.73 0.00 0.00 38.32 39.54 1cey h ASN 23 CO -0.56 -0.31 -0.33 -0.11 -1.29 0.00 0.00 177.43 174.83 1cey n LEU 24 N -5.33 -0.52 -0.10 0.34 7.94 -0.71 0.74 117.00 119.36 1cey n LEU 24 Ca -0.12 1.72 -0.10 0.00 -1.11 0.00 0.00 56.01 56.41 1cey n LEU 24 Cb 0.33 -0.45 -0.02 0.00 0.53 0.00 0.00 43.42 43.81 1cey n LEU 24 CO 0.32 -1.59 0.89 -0.07 -1.11 0.00 0.00 177.39 175.84 1cey h LEU 25 N 0.00 0.42 -1.74 -1.96 3.38 -0.75 -2.02 115.31 112.63 1cey h LEU 25 Ca 0.40 -0.16 0.08 0.00 0.09 0.00 0.00 57.88 58.29 1cey h LEU 25 Cb 0.65 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 1cey h LEU 25 CO -1.00 0.46 0.32 0.50 0.09 0.00 0.00 178.44 178.81 1cey h LYS 26 N 0.34 0.30 -0.85 1.13 3.64 0.13 -0.83 116.57 120.42 1cey h LYS 26 Ca 0.10 -0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.56 1cey h LYS 26 Cb 0.17 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 31.85 1cey h LYS 26 CO -0.01 0.20 0.50 1.49 -2.27 0.00 0.00 179.45 179.36 1cey h GLU 27 N 0.30 0.83 0.13 1.90 4.81 0.82 -2.89 114.58 120.47 1cey h GLU 27 Ca 0.21 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1cey h GLU 27 Cb 0.43 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1cey h GLU 27 CO -0.05 0.55 -0.06 -0.07 -0.73 0.00 0.00 179.01 178.65 1cey h LEU 28 N 0.85 -0.14 0.00 1.64 4.07 -1.17 -3.48 115.31 117.08 1cey h LEU 28 Ca 0.41 -0.35 0.00 0.00 0.08 0.00 0.00 57.88 58.01 1cey h LEU 28 Cb 0.34 0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.12 1cey h LEU 28 CO -0.24 0.46 0.00 0.61 -1.08 0.00 0.00 178.44 178.20 1cey n GLY 29 N 0.99 -0.88 3.25 0.83 0.00 -0.81 -5.08 105.19 103.49 1cey n GLY 29 Ca -0.06 0.41 -0.13 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.25 -0.41 1.61 0.08 -1.23 -4.18 117.98 113.59 1cey s PHE 30 Ca 0.00 0.47 0.10 0.00 0.12 0.00 0.00 56.93 57.62 1cey s PHE 30 Cb 0.00 0.12 0.35 0.00 -0.57 0.00 0.00 43.02 42.91 1cey s PHE 30 CO 0.00 -0.35 0.96 -1.71 -0.10 0.00 0.00 175.22 174.02 1cey n ASN 31 N 1.67 -0.69 -3.01 1.36 4.05 -1.22 -4.34 115.26 113.08 1cey n ASN 31 Ca -0.19 -3.25 0.03 0.00 0.45 0.00 0.00 54.58 51.62 1cey n ASN 31 Cb 0.56 0.60 -0.00 0.00 1.23 0.00 0.00 39.78 42.18 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 -1.89 -0.82 0.03 1.20 3.04 -1.26 -4.96 114.94 110.27 1cey s ASN 32 Ca 0.30 -0.24 0.01 0.00 0.04 0.00 0.00 52.86 52.97 1cey s ASN 32 Cb 0.34 1.20 -0.02 0.00 -1.54 0.00 0.00 41.25 41.22 1cey s ASN 32 CO -0.06 -0.11 -0.05 -0.69 -3.04 0.00 0.00 177.10 173.15 1cey s VAL 33 N 2.25 0.29 0.09 -5.21 1.01 -1.26 -2.00 120.40 115.56 1cey s VAL 33 Ca 0.17 -1.09 0.00 0.00 0.00 0.00 0.00 61.98 61.07 1cey s VAL 33 Cb -0.01 -0.54 -0.00 0.00 0.00 0.00 0.00 36.38 35.82 1cey s VAL 33 CO -0.16 -0.52 0.02 -0.62 0.00 0.00 0.00 175.10 173.82 1cey n GLU 34 N 1.36 1.28 -3.75 2.72 1.02 -0.76 -4.96 120.64 117.54 1cey n GLU 34 Ca -0.22 -0.68 -0.11 0.00 -0.02 0.00 0.00 57.16 56.13 1cey n GLU 34 Cb 0.56 0.28 -0.07 0.00 -0.02 0.00 0.00 31.44 32.19 1cey n GLU 34 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1cey s GLU 35 N -2.32 0.88 0.00 3.49 2.12 -1.26 -2.54 118.70 119.06 1cey s GLU 35 Ca 0.02 -0.64 0.00 0.00 0.36 0.00 0.00 54.97 54.71 1cey s GLU 35 Cb 0.00 0.38 0.00 0.00 0.26 0.00 0.00 34.13 34.77 1cey s GLU 35 CO 0.02 -0.30 0.00 0.00 -0.54 0.00 0.00 175.26 174.44 1cey n ALA 36 N 0.26 0.00 -0.94 6.30 0.00 -1.04 -4.94 120.51 120.16 1cey n ALA 36 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1cey n ALA 36 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 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 0.00 -0.05 -3.81 0.00 0.28 -1.26 -4.40 120.64 111.40 1cey n GLU 37 Ca 0.00 -0.05 0.01 0.00 -0.16 0.00 0.00 57.16 56.96 1cey n GLU 37 Cb 0.00 -0.53 0.00 0.00 1.43 0.00 0.00 31.44 32.34 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 -0.03 0.07 -1.84 -1.08 -1.26 -4.92 116.67 107.60 1cey s ASP 38 Ca 0.00 -0.26 -0.34 0.00 -0.52 0.00 0.00 52.55 51.43 1cey s ASP 38 Cb 0.00 0.23 -0.19 0.00 -1.46 0.00 0.00 42.92 41.50 1cey s ASP 38 CO 0.00 -0.45 1.62 1.23 0.52 0.00 0.00 175.17 178.09 1cey h GLY 39 N 2.00 -1.02 0.35 2.66 0.00 -1.97 0.16 103.07 105.26 1cey h GLY 39 Ca -0.27 0.39 0.22 0.00 0.00 0.00 0.00 47.33 47.67 1cey h GLY 39 CO 0.30 -0.37 0.62 -0.24 0.00 0.00 0.00 176.54 176.85 1cey h VAL 40 N -0.97 0.45 0.01 4.60 3.04 -1.98 0.16 116.25 121.57 1cey h VAL 40 Ca -0.09 0.00 -0.08 0.00 -1.01 0.00 0.00 66.70 65.51 1cey h VAL 40 Cb 0.75 0.55 0.01 0.00 -2.01 0.00 0.00 31.29 30.59 1cey h VAL 40 CO 0.14 0.00 -0.32 -0.78 -1.01 0.00 0.00 177.57 175.60 1cey h ASP 41 N 0.00 0.27 0.17 3.17 3.58 -1.57 -2.54 116.42 119.50 1cey h ASP 41 Ca 0.35 -0.80 -0.00 0.00 0.42 0.00 0.00 57.03 57.00 1cey h ASP 41 Cb 1.58 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 42.54 1cey h ASP 41 CO -0.00 1.04 -0.18 0.00 -2.88 0.00 0.00 179.24 177.21 1cey h ALA 42 N 0.24 -0.88 -0.74 -0.78 0.00 0.21 0.32 119.26 117.63 1cey h ALA 42 Ca -0.04 -0.07 0.15 0.00 0.00 0.00 0.00 54.91 54.96 1cey h ALA 42 Cb 1.09 0.44 -0.10 0.00 0.00 0.00 0.00 17.79 19.22 1cey h ALA 42 CO 0.06 -0.89 0.23 -0.07 0.00 0.00 0.00 179.25 178.58 1cey h LEU 43 N -0.35 0.12 -0.84 0.00 3.38 -1.52 0.63 115.31 116.72 1cey h LEU 43 Ca -0.02 0.13 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 1cey h LEU 43 Cb 0.31 0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1cey h LEU 43 CO -0.03 0.01 0.24 0.78 0.09 0.00 0.00 178.44 179.54 1cey h ASN 44 N 0.33 1.02 0.04 -0.43 2.35 -1.13 -2.37 115.58 115.39 1cey h ASN 44 Ca 0.42 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 1cey h ASN 44 Cb 0.69 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.79 1cey h ASN 44 CO -0.47 0.94 -0.05 0.29 -1.65 0.00 0.00 177.43 176.48 1cey n LYS 45 N -4.27 1.49 0.00 0.81 5.02 0.11 -3.85 118.16 117.48 1cey n LYS 45 Ca 0.06 -0.87 -0.09 0.00 -2.02 0.00 0.00 58.31 55.39 1cey n LYS 45 Cb 0.21 -1.48 -0.14 0.00 -0.02 0.00 0.00 35.03 33.60 1cey n LYS 45 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1cey h LEU 46 N 2.12 0.05 0.00 -0.35 4.07 0.73 -3.24 115.31 118.68 1cey h LEU 46 Ca 0.00 -0.08 0.00 0.00 0.08 0.00 0.00 57.88 57.88 1cey h LEU 46 Cb 0.50 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.23 1cey h LEU 46 CO 0.00 1.07 0.12 0.00 -1.08 0.00 0.00 178.44 178.55 1cey n GLN 47 N -3.16 0.00 -0.05 1.13 6.02 -1.15 -2.91 117.38 117.26 1cey n GLN 47 Ca -0.14 0.34 -0.04 0.00 -0.01 0.00 0.00 57.00 57.15 1cey n GLN 47 Cb 1.03 -1.62 -0.03 0.00 1.02 0.00 0.00 30.24 30.64 1cey n GLN 47 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1cey h ALA 48 N 1.48 -0.40 -3.00 -1.58 0.00 -1.80 -3.46 119.26 110.50 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 0.24 0.87 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1cey h ALA 48 CO 0.00 -0.49 0.00 0.41 0.00 0.00 0.00 179.25 179.17 1cey n GLY 49 N -1.11 0.48 2.70 0.00 0.00 -1.15 -5.09 105.19 101.02 1cey n GLY 49 Ca -0.01 0.03 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.06 3.55 -0.02 0.00 -1.26 -5.07 105.19 102.33 1cey n GLY 50 Ca 0.00 0.14 -0.18 0.00 0.00 0.00 0.00 46.02 45.98 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 2.70 1.07 0.00 1.61 4.02 -1.26 -4.68 117.16 120.61 1cey n TYR 51 Ca 0.18 0.01 0.00 0.00 -0.01 0.00 0.00 57.90 58.08 1cey n TYR 51 Cb 0.56 -2.39 0.00 0.00 -0.02 0.00 0.00 39.34 37.49 1cey n TYR 51 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1cey n GLY 52 N 6.55 -0.42 3.22 2.72 0.00 -1.19 -4.47 105.19 111.60 1cey n GLY 52 Ca 0.48 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.38 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 -2.83 -0.40 -0.08 1.61 5.36 -0.70 -3.92 117.98 117.03 1cey s PHE 53 Ca 0.00 0.96 -0.01 0.00 -0.96 0.00 0.00 56.93 56.91 1cey s PHE 53 Cb 0.00 0.14 0.03 0.00 -0.34 0.00 0.00 43.02 42.85 1cey s PHE 53 CO 0.00 -0.21 -0.01 0.08 -1.46 0.00 0.00 175.22 173.63 1cey s VAL 54 N 0.46 0.44 -0.15 3.12 1.01 -1.06 -1.89 120.40 122.33 1cey s VAL 54 Ca -0.02 0.08 -0.05 0.00 0.00 0.00 0.00 61.98 61.99 1cey s VAL 54 Cb -0.04 -0.58 -0.03 0.00 0.00 0.00 0.00 36.38 35.72 1cey s VAL 54 CO -0.02 0.27 0.01 -0.63 0.00 0.00 0.00 175.10 174.73 1cey s ILE 55 N 1.94 4.33 -0.01 2.22 1.01 0.22 -2.14 121.20 128.76 1cey s ILE 55 Ca 0.05 -0.21 -0.15 0.00 0.00 0.00 0.00 60.65 60.34 1cey s ILE 55 Cb -0.12 -2.91 0.02 0.00 0.01 0.00 0.00 42.46 39.47 1cey s ILE 55 CO -0.06 0.50 0.32 -0.94 0.00 0.00 0.00 174.94 174.76 1cey s SER 56 N 0.13 -0.20 0.00 3.58 1.04 -1.26 -2.33 113.70 114.66 1cey s SER 56 Ca 0.02 0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.54 1cey s SER 56 Cb -0.13 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1cey s SER 56 CO 0.02 -0.46 0.00 0.47 0.98 0.00 0.00 173.24 174.25 1cey n ASP 57 N 1.24 0.00 0.00 7.02 8.00 -1.26 -0.47 116.55 131.08 1cey n ASP 57 Ca -0.21 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.29 1cey n ASP 57 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 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 -0.33 0.00 1.24 -0.00 -1.25 -3.08 117.44 114.01 1cey n TRP 58 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 1cey n TRP 58 Cb 0.00 0.13 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 -1.71 -0.00 0.00 0.00 177.69 175.98 1cey n ASN 59 N -1.75 0.00 0.05 5.87 5.15 -1.26 -4.29 115.26 119.03 1cey n ASN 59 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1cey n ASN 59 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1cey n ASN 59 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 1cey n MET 60 N 0.00 0.00 0.34 1.20 2.81 -1.26 -4.91 117.12 115.30 1cey n MET 60 Ca 0.00 0.00 -0.14 0.00 -1.81 0.00 0.00 57.70 55.75 1cey n MET 60 Cb 0.00 -0.19 -0.07 0.00 -0.71 0.00 0.00 33.22 32.25 1cey n MET 60 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 1cey h PRO 61 N 0.00 -0.86 0.00 0.03 0.14 -1.98 -3.49 132.00 125.84 1cey h PRO 61 Ca 0.00 0.06 0.00 0.00 0.14 0.00 0.00 66.00 66.20 1cey h PRO 61 Cb 0.20 0.20 0.00 0.00 0.14 0.00 0.00 31.00 31.54 1cey h PRO 61 CO 0.00 -0.58 0.00 0.09 0.14 0.00 0.00 178.00 177.65 1cey n ASN 62 N -5.03 0.38 0.00 1.44 3.02 -1.26 -5.06 115.26 108.74 1cey n ASN 62 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.44 1cey n ASN 62 Cb 0.35 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.52 1cey n ASN 62 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1cey n MET 63 N 0.00 0.00 0.00 3.52 2.81 -1.26 -4.79 117.12 117.40 1cey n MET 63 Ca 0.00 0.46 0.00 0.00 -1.81 0.00 0.00 57.70 56.35 1cey n MET 63 Cb 0.00 -1.16 0.00 0.00 -0.71 0.00 0.00 33.22 31.35 1cey n MET 63 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1cey n ASP 64 N -1.37 -0.25 0.00 7.83 2.03 -1.26 -4.44 116.55 119.09 1cey n ASP 64 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1cey n ASP 64 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1cey n ASP 64 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1cey n GLY 65 N 0.00 0.22 0.00 0.27 0.00 -1.26 -3.39 105.19 101.03 1cey n GLY 65 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.34 1cey n GLY 65 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1cey n LEU 66 N 0.00 0.00 -0.31 0.99 -0.00 -1.26 0.14 117.00 116.56 1cey n LEU 66 Ca 0.00 0.65 0.27 0.00 -0.00 0.00 0.00 56.01 56.93 1cey n LEU 66 Cb 0.00 -0.15 0.60 0.00 -0.00 0.00 0.00 43.42 43.88 1cey n LEU 66 CO 0.00 -0.15 1.25 -0.33 -0.00 0.00 0.00 177.39 178.17 1cey h GLU 67 N 0.00 0.23 -0.48 1.96 5.08 -1.90 1.28 114.58 120.75 1cey h GLU 67 Ca 0.00 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1cey h GLU 67 Cb 0.00 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1cey h GLU 67 CO 0.00 0.15 0.16 1.25 -1.00 0.00 0.00 179.01 179.57 1cey h LEU 68 N 0.23 0.63 0.00 1.33 5.85 -1.44 -2.41 115.31 119.50 1cey h LEU 68 Ca 0.57 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 59.20 1cey h LEU 68 Cb 1.75 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.62 1cey h LEU 68 CO -0.18 0.60 -0.48 -0.11 -0.34 0.00 0.00 178.44 177.93 1cey n LEU 69 N -4.33 1.71 -0.43 2.25 0.00 0.38 -4.14 117.00 112.44 1cey n LEU 69 Ca 0.03 0.62 0.35 0.00 0.00 0.00 0.00 56.01 57.02 1cey n LEU 69 Cb 0.18 -0.86 0.58 0.00 0.00 0.00 0.00 43.42 43.32 1cey n LEU 69 CO 0.38 -0.48 1.05 1.17 0.00 0.00 0.00 177.39 179.51 1cey n LYS 70 N -4.50 -0.02 0.03 1.96 4.81 0.22 0.23 118.16 120.89 1cey n LYS 70 Ca -0.07 0.98 -0.11 0.00 -0.87 0.00 0.00 58.31 58.24 1cey n LYS 70 Cb 0.25 -2.01 -0.06 0.00 0.02 0.00 0.00 35.03 33.23 1cey n LYS 70 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 1cey h THR 71 N 0.00 0.95 -0.91 3.15 2.02 -1.59 0.20 112.91 116.73 1cey h THR 71 Ca 0.73 0.00 0.13 0.00 0.77 0.00 0.00 66.41 68.04 1cey h THR 71 Cb 2.50 0.95 -0.07 0.00 -1.74 0.00 0.00 68.15 69.79 1cey h THR 71 CO -0.28 0.00 0.58 0.40 0.37 0.00 0.00 175.52 176.59 1cey h ILE 72 N -0.01 0.87 -0.10 3.11 2.04 0.28 0.16 117.51 123.86 1cey h ILE 72 Ca 0.02 -0.27 -0.13 0.00 1.00 0.00 0.00 64.86 65.49 1cey h ILE 72 Cb 0.04 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.13 1cey h ILE 72 CO -0.04 0.14 -0.50 -0.09 0.00 0.00 0.00 178.15 177.66 1cey h ARG 73 N 0.78 0.25 -0.56 2.37 1.12 -0.85 -2.80 114.38 114.69 1cey h ARG 73 Ca 0.45 -0.14 0.16 0.00 -1.11 0.00 0.00 59.98 59.34 1cey h ARG 73 Cb 0.63 0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 30.58 1cey h ARG 73 CO -0.22 0.70 0.44 0.00 -3.11 0.00 0.00 179.97 177.79 1cey h ALA 74 N 1.28 2.44 -1.35 2.80 0.00 0.24 -3.36 119.26 121.31 1cey h ALA 74 Ca 0.01 -0.02 -0.52 0.00 0.00 0.00 0.00 54.91 54.38 1cey h ALA 74 Cb 0.95 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.72 1cey h ALA 74 CO 0.08 -0.73 1.18 0.34 0.00 0.00 0.00 179.25 180.12 1cey s ASP 75 N -5.83 5.81 0.57 0.00 2.15 -1.06 -4.81 116.67 113.50 1cey s ASP 75 Ca -0.05 -0.26 0.32 0.00 0.43 0.00 0.00 52.55 52.99 1cey s ASP 75 Cb 0.19 -2.55 1.73 0.00 -0.30 0.00 0.00 42.92 41.99 1cey s ASP 75 CO 0.68 -2.06 2.17 1.23 -0.17 0.00 0.00 175.17 177.02 1cey h GLY 76 N 14.53 0.00 1.22 2.66 0.00 -1.88 0.53 103.07 120.12 1cey h GLY 76 Ca -0.21 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.04 1cey h GLY 76 CO 1.27 0.00 0.05 0.00 0.00 0.00 0.00 176.54 177.86 1cey h ALA 77 N 1.94 1.01 -0.84 3.60 0.00 -1.92 -3.30 119.26 119.74 1cey h ALA 77 Ca -0.00 -0.27 -0.36 0.00 0.00 0.00 0.00 54.91 54.28 1cey h ALA 77 Cb 0.19 -0.22 -0.40 0.00 0.00 0.00 0.00 17.79 17.35 1cey h ALA 77 CO 0.01 0.62 -1.09 -1.33 0.00 0.00 0.00 179.25 177.45 1cey n MET 78 N -4.21 1.77 -0.69 0.00 2.81 -0.74 -4.93 117.12 111.12 1cey n MET 78 Ca 0.03 -3.54 -0.06 0.00 -1.81 0.00 0.00 57.70 52.33 1cey n MET 78 Cb 0.30 -1.55 -0.08 0.00 -0.71 0.00 0.00 33.22 31.17 1cey n MET 78 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1cey n SER 79 N -0.34 4.75 -0.01 7.83 2.88 0.18 -3.14 113.62 125.77 1cey n SER 79 Ca 0.14 -2.33 0.00 0.00 -1.33 0.00 0.00 58.87 55.35 1cey n SER 79 Cb 0.81 -1.16 0.00 0.00 -0.75 0.00 0.00 64.21 63.11 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 2.10 1.02 -1.68 -1.46 0.00 -1.26 -4.91 120.51 114.32 1cey n ALA 80 Ca 0.21 -0.25 -0.48 0.00 0.00 0.00 0.00 53.44 52.92 1cey n ALA 80 Cb 0.66 -0.01 -0.05 0.00 0.00 0.00 0.00 19.45 20.05 1cey n ALA 80 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1cey n LEU 81 N 0.00 3.47 -4.73 0.00 7.94 -1.19 -4.86 117.00 117.64 1cey n LEU 81 Ca 0.00 0.98 -0.42 0.00 -1.11 0.00 0.00 56.01 55.46 1cey n LEU 81 Cb 0.50 -1.38 -0.03 0.00 0.53 0.00 0.00 43.42 43.04 1cey n LEU 81 CO 0.00 -0.05 1.34 -2.84 -1.11 0.00 0.00 177.39 174.73 1cey s PRO 82 N 3.90 4.12 -0.11 1.96 0.02 -1.25 -4.88 135.00 138.76 1cey s PRO 82 Ca 0.92 2.60 0.02 0.00 0.02 0.00 0.00 61.00 64.56 1cey s PRO 82 Cb -0.68 -3.06 0.02 0.00 0.02 0.00 0.00 34.50 30.80 1cey s PRO 82 CO 0.50 -0.72 -0.15 0.08 -0.33 0.00 0.00 177.00 176.38 1cey s VAL 83 N 0.86 1.45 -0.93 3.83 1.01 -1.23 -2.55 120.40 122.85 1cey s VAL 83 Ca 0.72 -0.61 -0.01 0.00 0.00 0.00 0.00 61.98 62.08 1cey s VAL 83 Cb -0.49 -1.33 0.29 0.00 0.00 0.00 0.00 36.38 34.84 1cey s VAL 83 CO 0.36 0.43 1.23 -0.11 0.00 0.00 0.00 175.10 177.01 1cey n LEU 84 N 4.24 5.50 -4.27 3.92 7.94 -0.91 0.80 117.00 134.22 1cey n LEU 84 Ca -0.19 -5.30 -0.33 0.00 -1.11 0.00 0.00 56.01 49.09 1cey n LEU 84 Cb 0.51 -1.06 0.16 0.00 0.53 0.00 0.00 43.42 43.56 1cey n LEU 84 CO 0.23 1.82 -0.58 0.23 -1.11 0.00 0.00 177.39 177.98 1cey n MET 85 N 1.15 -1.43 -3.72 1.96 2.81 0.25 -4.21 117.12 113.93 1cey n MET 85 Ca 0.27 -0.40 -0.15 0.00 -1.81 0.00 0.00 57.70 55.62 1cey n MET 85 Cb 0.36 -1.68 -0.15 0.00 -0.71 0.00 0.00 33.22 31.04 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 -2.24 -0.12 0.35 2.03 1.01 0.38 -2.57 120.40 119.25 1cey s VAL 86 Ca 0.55 0.24 -0.05 0.00 0.00 0.00 0.00 61.98 62.73 1cey s VAL 86 Cb -0.11 -0.24 0.01 0.00 0.00 0.00 0.00 36.38 36.03 1cey s VAL 86 CO 0.66 0.10 0.53 0.28 0.00 0.00 0.00 175.10 176.67 1cey s THR 87 N 1.54 0.00 0.00 3.92 -1.32 -1.08 -3.89 115.64 114.81 1cey s THR 87 Ca -0.05 -1.50 0.00 0.00 -1.21 0.00 0.00 61.69 58.93 1cey s THR 87 Cb -0.12 -2.67 0.00 0.00 -1.51 0.00 0.00 72.50 68.20 1cey s THR 87 CO -0.06 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.35 1cey n ALA 88 N -0.56 1.58 -1.96 11.08 0.00 -1.26 0.12 120.51 129.51 1cey n ALA 88 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 1cey n ALA 88 Cb 0.61 0.08 0.04 0.00 0.00 0.00 0.00 19.45 20.18 1cey n ALA 88 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1cey n GLU 89 N -1.32 2.95 -2.33 0.00 2.13 -1.26 -4.92 120.64 115.89 1cey n GLU 89 Ca 0.00 -3.57 -0.40 0.00 0.66 0.00 0.00 57.16 53.84 1cey n GLU 89 Cb 0.16 -2.28 -0.03 0.00 0.27 0.00 0.00 31.44 29.56 1cey n GLU 89 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1cey s ALA 90 N -4.03 2.60 0.00 4.31 0.00 -1.26 -4.88 121.76 118.50 1cey s ALA 90 Ca 0.51 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.58 1cey s ALA 90 Cb 0.42 -4.21 0.00 0.00 0.00 0.00 0.00 23.12 19.32 1cey s ALA 90 CO -0.39 -3.34 0.00 1.17 0.00 0.00 0.00 175.76 173.20 1cey n LYS 91 N 9.06 0.00 0.00 0.00 4.81 -1.26 -5.06 118.16 125.71 1cey n LYS 91 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.56 1cey n LYS 91 Cb 0.50 -0.23 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 -0.64 0.00 -0.23 1.64 3.00 -1.26 -4.92 118.16 115.74 1cey n LYS 92 Ca 0.00 0.00 0.23 0.00 -0.00 0.00 0.00 58.31 58.54 1cey n LYS 92 Cb 0.00 0.00 0.58 0.00 0.00 0.00 0.00 35.03 35.61 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 0.27 0.00 1.64 5.08 -2.00 0.75 114.58 120.32 1cey h GLU 93 Ca 0.00 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 1cey h GLU 93 Cb 0.00 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1cey h GLU 93 CO 0.00 0.18 -0.25 -0.91 -1.00 0.00 0.00 179.01 177.03 1cey h ASN 94 N 0.28 0.00 0.41 1.42 4.21 -1.98 -3.06 115.58 116.86 1cey h ASN 94 Ca 0.47 0.00 -0.31 0.00 1.21 0.00 0.00 56.30 57.67 1cey h ASN 94 Cb 1.38 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.59 1cey h ASN 94 CO -0.14 0.25 -1.52 0.40 -1.29 0.00 0.00 177.43 175.13 1cey h ILE 95 N 0.00 1.19 0.55 2.81 2.04 0.12 -3.28 117.51 120.93 1cey h ILE 95 Ca -0.00 -2.77 -0.02 0.00 1.00 0.00 0.00 64.86 63.06 1cey h ILE 95 Cb 0.77 2.83 -0.01 0.00 -0.74 0.00 0.00 36.82 39.67 1cey h ILE 95 CO 0.03 0.84 -0.39 0.40 0.00 0.00 0.00 178.15 179.03 1cey h ILE 96 N 0.09 0.22 -1.07 -0.67 5.03 -1.17 -1.12 117.51 118.82 1cey h ILE 96 Ca -0.25 0.00 0.29 0.00 -0.12 0.00 0.00 64.86 64.79 1cey h ILE 96 Cb 2.05 0.22 -0.11 0.00 -3.03 0.00 0.00 36.82 35.94 1cey h ILE 96 CO 0.19 0.00 0.66 0.00 -0.68 0.00 0.00 178.15 178.32 1cey h ALA 97 N -0.57 2.15 0.76 1.87 0.00 -1.69 0.18 119.26 121.96 1cey h ALA 97 Ca -0.06 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1cey h ALA 97 Cb 0.75 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.62 1cey h ALA 97 CO 0.03 -0.64 -0.37 0.00 0.00 0.00 0.00 179.25 178.27 1cey h ALA 98 N 1.68 -1.04 -0.99 0.00 0.00 -1.34 -3.10 119.26 114.46 1cey h ALA 98 Ca 0.66 -0.22 0.11 0.00 0.00 0.00 0.00 54.91 55.46 1cey h ALA 98 Cb 1.62 0.40 -0.08 0.00 0.00 0.00 0.00 17.79 19.72 1cey h ALA 98 CO -0.41 -0.97 0.62 0.00 0.00 0.00 0.00 179.25 178.50 1cey h ALA 99 N -1.30 1.47 0.00 0.00 0.00 -0.04 0.42 119.26 119.81 1cey h ALA 99 Ca -0.10 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1cey h ALA 99 Cb 0.78 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1cey h ALA 99 CO 0.17 0.26 0.58 0.37 0.00 0.00 0.00 179.25 180.63 1cey h GLN 100 N 1.01 0.00 0.00 0.00 5.75 -0.64 -3.37 115.11 117.87 1cey h GLN 100 Ca 0.48 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.98 1cey h GLN 100 Cb 0.43 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.98 1cey h GLN 100 CO -0.25 0.00 0.00 0.00 -2.65 0.00 0.00 178.83 175.93 1cey n ALA 101 N -1.72 0.00 0.28 3.38 0.00 0.14 -5.00 120.51 117.60 1cey n ALA 101 Ca -0.01 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.48 1cey n ALA 101 Cb 0.60 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.12 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 0.25 0.05 0.00 0.00 -1.23 -4.59 105.19 104.67 1cey n GLY 102 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 0.51 1.28 -0.27 4.61 0.00 -1.12 -3.54 120.51 121.98 1cey n ALA 103 Ca 0.07 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.73 1cey n ALA 103 Cb 0.28 -0.89 0.35 0.00 0.00 0.00 0.00 19.45 19.20 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 -0.35 0.06 -4.46 0.00 7.64 -1.26 -3.79 113.62 111.46 1cey n SER 104 Ca 0.00 0.59 -0.34 0.00 1.01 0.00 0.00 58.87 60.13 1cey n SER 104 Cb 0.00 -0.29 -0.13 0.00 -1.01 0.00 0.00 64.21 62.78 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 -3.53 1.69 -0.11 0.23 0.00 0.24 -4.93 107.32 100.91 1cey s GLY 105 Ca -0.03 -0.90 -0.04 0.00 0.00 0.00 0.00 44.72 43.75 1cey s GLY 105 CO 0.41 0.04 0.22 -0.47 0.00 0.00 0.00 173.10 173.30 1cey s TYR 106 N 0.63 -0.33 -0.10 1.90 5.04 -1.25 -0.59 117.35 122.65 1cey s TYR 106 Ca -0.02 0.83 0.04 0.00 -2.44 0.00 0.00 57.07 55.47 1cey s TYR 106 Cb -0.14 -0.12 -0.00 0.00 0.35 0.00 0.00 41.96 42.05 1cey s TYR 106 CO 0.02 -0.32 -0.23 0.54 -1.34 0.00 0.00 175.55 174.22 1cey s VAL 107 N 2.34 2.13 -0.59 3.14 0.11 -1.06 -4.96 120.40 121.50 1cey s VAL 107 Ca 0.02 -1.00 -0.26 0.00 -2.93 0.00 0.00 61.98 57.81 1cey s VAL 107 Cb -0.12 -1.81 0.04 0.00 -1.53 0.00 0.00 36.38 32.95 1cey s VAL 107 CO -0.07 0.56 1.09 0.54 -3.33 0.00 0.00 175.10 173.88 1cey s VAL 108 N 0.32 4.15 0.85 2.04 0.11 -1.26 -2.62 120.40 123.99 1cey s VAL 108 Ca -0.18 0.53 -0.11 0.00 -2.93 0.00 0.00 61.98 59.30 1cey s VAL 108 Cb -0.18 -4.67 0.10 0.00 -1.53 0.00 0.00 36.38 30.11 1cey s VAL 108 CO 0.09 -1.31 1.10 -1.59 -3.33 0.00 0.00 175.10 170.06 1cey s LYS 109 N 4.58 1.64 0.82 1.54 -2.85 0.33 -4.58 119.74 121.22 1cey s LYS 109 Ca 0.36 1.22 -0.12 0.00 -1.00 0.00 0.00 55.97 56.43 1cey s LYS 109 Cb -0.10 -1.82 0.09 0.00 -2.06 0.00 0.00 37.83 33.93 1cey s LYS 109 CO 0.21 -2.09 1.11 -1.25 0.10 0.00 0.00 175.35 173.43 1cey s PRO 110 N -4.82 1.87 0.14 1.78 0.05 -1.26 -4.49 135.00 128.27 1cey s PRO 110 Ca 0.63 0.52 -0.08 0.00 0.05 0.00 0.00 61.00 62.12 1cey s PRO 110 Cb -0.19 -1.90 -0.01 0.00 0.05 0.00 0.00 34.50 32.44 1cey s PRO 110 CO 0.57 -1.74 0.24 -0.59 0.05 0.00 0.00 177.00 175.53 1cey s PHE 111 N -3.22 0.38 0.05 0.56 -0.12 -1.26 -5.08 117.98 109.29 1cey s PHE 111 Ca 0.61 -0.76 0.02 0.00 -0.05 0.00 0.00 56.93 56.75 1cey s PHE 111 Cb -0.14 -0.09 -0.04 0.00 -0.63 0.00 0.00 43.02 42.12 1cey s PHE 111 CO 0.54 -0.66 0.07 0.99 -0.05 0.00 0.00 175.22 176.10 1cey s THR 112 N -3.95 4.54 0.41 -4.49 2.01 -1.26 -4.88 115.64 108.01 1cey s THR 112 Ca 0.15 -0.65 0.22 0.00 0.31 0.00 0.00 61.69 61.72 1cey s THR 112 Cb 0.04 -3.14 0.42 0.00 0.01 0.00 0.00 72.50 69.83 1cey s THR 112 CO -0.02 0.21 1.70 0.00 -0.69 0.00 0.00 174.62 175.82 1cey h ALA 113 N 3.62 2.39 -0.54 7.40 0.00 -1.98 1.85 119.26 132.00 1cey h ALA 113 Ca -0.48 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 1cey h ALA 113 Cb 1.17 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1cey h ALA 113 CO 0.64 -0.90 0.09 0.00 0.00 0.00 0.00 179.25 179.08 1cey h ALA 114 N 1.64 1.14 0.15 0.00 0.00 -1.97 0.46 119.26 120.69 1cey h ALA 114 Ca 0.70 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.37 1cey h ALA 114 Cb 1.93 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.50 1cey h ALA 114 CO -0.38 0.57 -0.07 1.15 0.00 0.00 0.00 179.25 180.52 1cey h THR 115 N 0.82 0.00 -1.14 0.00 2.02 0.24 0.29 112.91 115.14 1cey h THR 115 Ca 0.17 -0.15 0.34 0.00 0.77 0.00 0.00 66.41 67.54 1cey h THR 115 Cb 0.36 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.65 1cey h THR 115 CO 0.01 0.00 0.72 0.25 0.37 0.00 0.00 175.52 176.87 1cey h LEU 116 N -0.36 0.38 -0.18 2.58 5.85 -1.06 0.45 115.31 122.98 1cey h LEU 116 Ca -0.02 0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 1cey h LEU 116 Cb 0.16 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1cey h LEU 116 CO 0.03 -0.06 -0.03 -0.08 -0.34 0.00 0.00 178.44 177.97 1cey h GLU 117 N 0.26 0.33 -0.21 1.25 4.22 0.03 -2.30 114.58 118.17 1cey h GLU 117 Ca 0.71 -0.12 0.04 0.00 0.08 0.00 0.00 59.36 60.06 1cey h GLU 117 Cb 1.94 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 31.10 1cey h GLU 117 CO -0.40 0.58 -0.55 1.49 -2.18 0.00 0.00 179.01 177.95 1cey h GLU 118 N 0.06 -0.51 -0.74 1.92 4.81 0.37 0.26 114.58 120.75 1cey h GLU 118 Ca 0.05 0.03 0.12 0.00 -0.13 0.00 0.00 59.36 59.44 1cey h GLU 118 Cb 0.45 0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.89 1cey h GLU 118 CO 0.01 -0.34 0.49 0.87 -0.73 0.00 0.00 179.01 179.31 1cey h LYS 119 N -0.53 0.49 0.00 1.92 1.57 -1.48 -2.65 116.57 115.89 1cey h LYS 119 Ca 0.04 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1cey h LYS 119 Cb 0.66 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1cey h LYS 119 CO -0.48 0.33 0.00 -0.11 -0.57 0.00 0.00 179.45 178.61 1cey n LEU 120 N -4.49 0.00 0.26 2.94 7.94 0.86 -0.92 117.00 123.59 1cey n LEU 120 Ca 0.13 0.89 0.08 0.00 -1.11 0.00 0.00 56.01 56.01 1cey n LEU 120 Cb 0.44 -0.39 0.45 0.00 0.53 0.00 0.00 43.42 44.45 1cey n LEU 120 CO 0.33 -0.39 0.95 0.78 -1.11 0.00 0.00 177.39 177.95 1cey h ASN 121 N 0.00 0.00 0.52 1.96 2.35 -1.27 0.59 115.58 119.73 1cey h ASN 121 Ca 0.00 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.56 1cey h ASN 121 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1cey h ASN 121 CO 0.00 0.00 -0.84 0.50 -1.65 0.00 0.00 177.43 175.44 1cey h LYS 122 N 0.00 0.23 0.09 0.81 3.64 -0.67 -3.15 116.57 117.51 1cey h LYS 122 Ca 0.00 -0.23 -0.32 0.00 -1.27 0.00 0.00 60.65 58.83 1cey h LYS 122 Cb 0.93 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.80 1cey h LYS 122 CO 0.00 0.94 -1.75 0.82 -2.27 0.00 0.00 179.45 177.20 1cey h ILE 123 N 0.13 0.73 -0.03 2.00 2.04 0.95 -3.35 117.51 119.98 1cey h ILE 123 Ca -0.04 -2.29 0.01 0.00 1.00 0.00 0.00 64.86 63.53 1cey h ILE 123 Cb 1.46 2.42 -0.00 0.00 -0.74 0.00 0.00 36.82 39.95 1cey h ILE 123 CO 0.13 0.71 0.15 -0.26 0.00 0.00 0.00 178.15 178.88 1cey h PHE 124 N -0.28 0.00 -0.01 1.37 -1.00 -1.45 0.11 116.94 115.68 1cey h PHE 124 Ca -0.40 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.39 1cey h PHE 124 Cb 1.80 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 41.36 1cey h PHE 124 CO 0.09 0.00 0.13 1.49 -1.61 0.00 0.00 178.31 178.41 1cey h GLU 125 N 0.00 0.00 0.00 1.51 4.81 -1.68 0.80 114.58 120.02 1cey h GLU 125 Ca 0.02 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.18 1cey h GLU 125 Cb 0.31 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 1cey h GLU 125 CO -0.00 0.00 -1.78 1.17 -0.73 0.00 0.00 179.01 177.67 1cey n LYS 126 N -3.06 0.65 0.10 1.92 4.81 0.39 -4.09 118.16 118.88 1cey n LYS 126 Ca -0.02 -0.06 0.12 0.00 -0.87 0.00 0.00 58.31 57.47 1cey n LYS 126 Cb 0.20 -1.62 0.04 0.00 0.02 0.00 0.00 35.03 33.67 1cey n LYS 126 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 1cey h LEU 127 N 0.00 0.00 -3.29 3.14 6.46 -0.23 -3.49 115.31 117.90 1cey h LEU 127 Ca -0.09 -0.05 -0.31 0.00 -0.12 0.00 0.00 57.88 57.30 1cey h LEU 127 Cb 1.24 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 41.18 1cey h LEU 127 CO 0.01 0.02 -1.04 0.61 -0.62 0.00 0.00 178.44 177.42 1cey n GLY 128 N 1.21 -0.26 0.67 3.75 0.00 0.23 -5.08 105.19 105.71 1cey n GLY 128 Ca 0.01 1.14 0.13 0.00 0.00 0.00 0.00 46.02 47.30 1cey n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35