#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 -1.50 -0.67 0.00 8.00 -1.26 -4.84 116.55 116.28 1cey n ASP 3 Ca 0.00 0.90 0.08 0.00 0.71 0.00 0.00 54.79 56.48 1cey n ASP 3 Cb 0.00 -1.03 0.26 0.00 -0.02 0.00 0.00 41.12 40.32 1cey n ASP 3 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1cey n LYS 4 N 0.85 1.86 -2.71 -1.24 5.02 -1.26 -4.27 118.16 116.41 1cey n LYS 4 Ca 0.12 -1.31 -0.09 0.00 -2.02 0.00 0.00 58.31 55.00 1cey n LYS 4 Cb 0.39 -1.35 0.05 0.00 -0.02 0.00 0.00 35.03 34.09 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 0.55 1.14 -2.64 1.97 4.71 -1.26 -3.73 120.64 121.38 1cey n GLU 5 Ca 0.15 -2.94 -0.43 0.00 -0.01 0.00 0.00 57.16 53.92 1cey n GLU 5 Cb 0.34 -1.02 -0.02 0.00 -1.01 0.00 0.00 31.44 29.72 1cey n GLU 5 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1cey s LEU 6 N -3.07 3.86 -0.09 -4.62 2.96 -1.26 -4.95 118.68 111.51 1cey s LEU 6 Ca 0.27 0.88 -0.35 0.00 -0.22 0.00 0.00 54.13 54.70 1cey s LEU 6 Cb 0.44 -3.53 -0.13 0.00 0.50 0.00 0.00 46.19 43.47 1cey s LEU 6 CO 0.00 -0.97 1.81 0.29 -1.32 0.00 0.00 176.35 176.16 1cey n LYS 7 N 7.10 1.96 -4.27 1.98 5.02 -1.26 -4.83 118.16 123.86 1cey n LYS 7 Ca 0.12 0.72 -0.30 0.00 -2.02 0.00 0.00 58.31 56.83 1cey n LYS 7 Cb 0.48 -2.52 -0.10 0.00 -0.02 0.00 0.00 35.03 32.86 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 3.53 2.71 -0.26 2.13 0.40 -1.06 -0.94 117.98 124.49 1cey s PHE 8 Ca 0.92 -0.17 0.02 0.00 -0.60 0.00 0.00 56.93 57.10 1cey s PHE 8 Cb -0.77 -1.43 0.06 0.00 0.51 0.00 0.00 43.02 41.40 1cey s PHE 8 CO 0.53 0.41 -0.09 -1.17 0.70 0.00 0.00 175.22 175.60 1cey s LEU 9 N -2.14 3.28 -0.61 -0.37 2.96 -0.68 -2.14 118.68 118.98 1cey s LEU 9 Ca 0.20 -1.38 -0.19 0.00 -0.22 0.00 0.00 54.13 52.54 1cey s LEU 9 Cb -0.11 -1.45 0.10 0.00 0.50 0.00 0.00 46.19 45.23 1cey s LEU 9 CO 0.13 -0.21 0.75 -0.69 -1.32 0.00 0.00 176.35 175.01 1cey s VAL 10 N 1.17 4.74 -1.64 1.68 1.01 -1.05 -0.89 120.40 125.42 1cey s VAL 10 Ca -0.07 -0.91 0.12 0.00 0.00 0.00 0.00 61.98 61.12 1cey s VAL 10 Cb -0.20 -4.53 0.42 0.00 0.00 0.00 0.00 36.38 32.07 1cey s VAL 10 CO -0.06 -1.19 1.31 0.52 0.00 0.00 0.00 175.10 175.68 1cey n VAL 11 N 5.59 0.86 -1.19 2.92 0.31 -1.02 -2.47 118.33 123.35 1cey n VAL 11 Ca -0.08 -0.66 -0.33 0.00 -0.01 0.00 0.00 64.34 63.26 1cey n VAL 11 Cb 0.43 0.13 0.12 0.00 -0.91 0.00 0.00 33.84 33.61 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 -0.87 3.81 0.00 4.52 1.01 -1.26 -4.34 116.67 119.54 1cey s ASP 12 Ca 0.31 2.28 0.00 0.00 0.71 0.00 0.00 52.55 55.84 1cey s ASP 12 Cb 0.18 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.53 1cey s ASP 12 CO 0.18 -2.52 0.00 -0.90 0.21 0.00 0.00 175.17 172.14 1cey n ASP 13 N -3.25 0.00 -1.57 0.27 5.75 -1.26 -4.71 116.55 111.79 1cey n ASP 13 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.91 1cey n ASP 13 Cb 0.51 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 1cey n ASP 13 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 1cey n PHE 14 N 0.00 -4.30 0.02 2.11 -0.00 -1.26 -3.99 117.46 110.04 1cey n PHE 14 Ca 0.00 2.31 0.05 0.00 -0.00 0.00 0.00 57.45 59.82 1cey n PHE 14 Cb 0.00 -3.54 0.24 0.00 -0.00 0.00 0.00 39.48 36.18 1cey n PHE 14 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1cey n SER 15 N -1.91 3.54 0.00 -2.13 2.88 -1.26 -3.95 113.62 110.78 1cey n SER 15 Ca 0.00 -2.41 0.00 0.00 -1.33 0.00 0.00 58.87 55.13 1cey n SER 15 Cb 0.28 -0.53 0.00 0.00 -0.75 0.00 0.00 64.21 63.22 1cey n SER 15 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1cey n THR 16 N 0.53 0.00 0.15 2.46 -2.24 -1.26 -4.87 114.28 109.05 1cey n THR 16 Ca 0.17 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.85 1cey n THR 16 Cb 0.71 0.59 -0.06 0.00 -2.10 0.00 0.00 70.33 69.47 1cey n THR 16 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 1cey h MET 17 N 0.00 -0.44 -1.13 -0.78 -1.53 -1.72 -2.35 114.93 106.97 1cey h MET 17 Ca 0.00 0.03 0.33 0.00 -3.44 0.00 0.00 59.70 56.62 1cey h MET 17 Cb 0.00 0.10 -0.05 0.00 -0.55 0.00 0.00 31.60 31.10 1cey h MET 17 CO 0.00 -0.16 0.89 0.00 0.14 0.00 0.00 176.91 177.77 1cey h ARG 18 N -1.03 0.00 0.04 0.39 -0.00 -1.77 0.28 114.38 112.30 1cey h ARG 18 Ca -0.05 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.43 1cey h ARG 18 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.44 1cey h ARG 18 CO 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 179.97 180.03 1cey h ARG 19 N 0.00 -0.06 -0.46 0.04 3.08 -1.86 -1.96 114.38 113.16 1cey h ARG 19 Ca 0.54 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.68 1cey h ARG 19 Cb 2.31 0.01 -0.10 0.00 0.08 0.00 0.00 29.97 32.27 1cey h ARG 19 CO -0.01 0.52 -0.29 0.82 -1.07 0.00 0.00 179.97 179.95 1cey h ILE 20 N -0.69 0.26 -0.39 2.04 2.04 0.09 -1.29 117.51 119.56 1cey h ILE 20 Ca -0.01 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 1cey h ILE 20 Cb 0.61 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 1cey h ILE 20 CO 0.01 0.00 0.10 -0.37 0.00 0.00 0.00 178.15 177.89 1cey h VAL 21 N -0.19 1.23 -0.47 1.67 -1.51 -1.51 -1.51 116.25 113.96 1cey h VAL 21 Ca 0.20 -0.77 0.08 0.00 -1.23 0.00 0.00 66.70 64.99 1cey h VAL 21 Cb 0.52 0.99 -0.10 0.00 -2.13 0.00 0.00 31.29 30.57 1cey h VAL 21 CO -0.57 0.27 -0.38 0.03 -1.23 0.00 0.00 177.57 175.69 1cey h ARG 22 N 0.48 -0.25 0.79 5.19 3.08 -0.44 0.22 114.38 123.45 1cey h ARG 22 Ca 0.12 0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.15 1cey h ARG 22 Cb 0.30 0.06 0.01 0.00 0.08 0.00 0.00 29.97 30.41 1cey h ARG 22 CO 0.00 -0.16 -0.40 -0.97 -1.07 0.00 0.00 179.97 177.37 1cey h ASN 23 N -0.26 -0.95 -0.96 7.04 -0.73 -1.28 -1.24 115.58 117.20 1cey h ASN 23 Ca 0.18 0.04 0.35 0.00 1.87 0.00 0.00 56.30 58.73 1cey h ASN 23 Cb 0.56 0.25 -0.18 0.00 0.27 0.00 0.00 38.32 39.23 1cey h ASN 23 CO -0.60 -0.66 0.31 -0.11 -0.37 0.00 0.00 177.43 176.00 1cey n LEU 24 N -5.56 0.15 -0.07 0.34 0.00 -0.58 0.18 117.00 111.46 1cey n LEU 24 Ca -0.15 1.62 -0.15 0.00 0.00 0.00 0.00 56.01 57.33 1cey n LEU 24 Cb 0.44 -0.70 -0.05 0.00 0.00 0.00 0.00 43.42 43.10 1cey n LEU 24 CO 0.39 -1.74 0.47 -0.07 0.00 0.00 0.00 177.39 176.44 1cey h LEU 25 N 0.00 0.80 -1.63 -1.96 3.38 -0.09 -2.88 115.31 112.93 1cey h LEU 25 Ca 0.72 -0.53 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 1cey h LEU 25 Cb 1.76 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.28 1cey h LEU 25 CO -0.81 1.18 -0.12 0.50 0.09 0.00 0.00 178.44 179.28 1cey h LYS 26 N 0.44 0.09 -1.01 1.13 3.64 0.31 -2.14 116.57 119.03 1cey h LYS 26 Ca 0.01 -0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.48 1cey h LYS 26 Cb 1.03 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.76 1cey h LYS 26 CO 0.10 0.21 0.64 1.49 -2.27 0.00 0.00 179.45 179.62 1cey h GLU 27 N 0.08 1.03 0.13 1.90 4.22 -0.08 -3.04 114.58 118.83 1cey h GLU 27 Ca 0.02 -0.06 -0.01 0.00 0.08 0.00 0.00 59.36 59.39 1cey h GLU 27 Cb 0.27 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1cey h GLU 27 CO 0.02 0.68 -0.06 1.25 -2.18 0.00 0.00 179.01 178.72 1cey h LEU 28 N 1.06 -0.15 0.00 1.64 6.46 -1.45 -3.48 115.31 119.39 1cey h LEU 28 Ca 0.48 -0.11 0.00 0.00 -0.12 0.00 0.00 57.88 58.12 1cey h LEU 28 Cb 0.37 0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.34 1cey h LEU 28 CO -0.23 0.37 0.00 0.61 -0.62 0.00 0.00 178.44 178.57 1cey n GLY 29 N 1.25 0.00 3.02 3.75 0.00 -1.04 -5.13 105.19 107.04 1cey n GLY 29 Ca -0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 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 1.75 -0.41 1.61 0.08 -0.97 -4.06 117.98 115.98 1cey s PHE 30 Ca 0.00 -0.80 0.09 0.00 0.12 0.00 0.00 56.93 56.34 1cey s PHE 30 Cb 0.00 -1.30 0.29 0.00 -0.57 0.00 0.00 43.02 41.44 1cey s PHE 30 CO 0.00 -0.44 0.63 0.27 -0.10 0.00 0.00 175.22 175.58 1cey n ASN 31 N 4.26 0.84 -2.96 1.36 0.23 -1.25 -3.03 115.26 114.72 1cey n ASN 31 Ca -0.19 -2.90 0.03 0.00 -0.53 0.00 0.00 54.58 51.00 1cey n ASN 31 Cb 0.51 -0.63 0.00 0.00 -2.08 0.00 0.00 39.78 37.58 1cey n ASN 31 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 1cey s ASN 32 N -1.79 -0.58 0.35 0.53 2.47 -1.26 -5.05 114.94 109.60 1cey s ASN 32 Ca 0.38 -0.17 0.01 0.00 0.42 0.00 0.00 52.86 53.50 1cey s ASN 32 Cb 0.23 0.95 -0.01 0.00 -1.45 0.00 0.00 41.25 40.97 1cey s ASN 32 CO -0.09 -0.08 0.42 0.68 -3.72 0.00 0.00 177.10 174.31 1cey s VAL 33 N 2.28 0.00 0.00 -5.21 -7.23 -1.26 -2.56 120.40 106.42 1cey s VAL 33 Ca 0.18 -1.72 0.00 0.00 -1.81 0.00 0.00 61.98 58.63 1cey s VAL 33 Cb 0.00 -2.62 0.00 0.00 0.56 0.00 0.00 36.38 34.32 1cey s VAL 33 CO -0.17 0.00 0.00 -0.62 -0.31 0.00 0.00 175.10 174.00 1cey n GLU 34 N -0.60 0.19 -3.80 4.82 1.02 -0.91 -4.96 120.64 116.40 1cey n GLU 34 Ca 0.03 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.05 1cey n GLU 34 Cb 0.62 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.95 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 -0.49 0.59 0.00 3.49 2.12 -1.26 -2.54 118.70 120.61 1cey s GLU 35 Ca 0.00 -0.27 0.00 0.00 0.36 0.00 0.00 54.97 55.06 1cey s GLU 35 Cb 0.00 0.26 0.00 0.00 0.26 0.00 0.00 34.13 34.65 1cey s GLU 35 CO 0.00 -0.16 0.00 0.00 -0.54 0.00 0.00 175.26 174.56 1cey n ALA 36 N 1.36 0.00 -1.33 6.30 0.00 -1.03 -4.95 120.51 120.86 1cey n ALA 36 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1cey n ALA 36 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 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 0.00 -3.22 0.00 0.28 -1.26 -4.51 120.64 111.93 1cey n GLU 37 Ca 0.00 -0.12 0.00 0.00 -0.16 0.00 0.00 57.16 56.88 1cey n GLU 37 Cb 0.00 -0.33 0.00 0.00 1.43 0.00 0.00 31.44 32.54 1cey n GLU 37 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1cey n ASP 38 N 0.00 0.00 -0.09 -1.84 5.68 -1.26 -4.96 116.55 114.07 1cey n ASP 38 Ca 0.00 0.00 -0.13 0.00 -0.50 0.00 0.00 54.79 54.16 1cey n ASP 38 Cb 0.34 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.28 1cey n ASP 38 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1cey h GLY 39 N 0.00 0.80 1.14 6.12 0.00 -1.91 0.27 103.07 109.49 1cey h GLY 39 Ca 0.00 -0.82 0.08 0.00 0.00 0.00 0.00 47.33 46.58 1cey h GLY 39 CO 0.00 0.74 0.39 -2.08 0.00 0.00 0.00 176.54 175.59 1cey h VAL 40 N 0.48 0.94 0.00 4.60 2.07 -1.97 0.14 116.25 122.52 1cey h VAL 40 Ca 0.05 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 1cey h VAL 40 Cb 0.88 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1cey h VAL 40 CO 0.08 0.09 -0.29 -0.78 0.02 0.00 0.00 177.57 176.69 1cey h ASP 41 N 0.47 0.00 -1.06 0.57 1.82 -1.88 -2.79 116.42 113.55 1cey h ASP 41 Ca 0.26 -0.23 0.30 0.00 -0.39 0.00 0.00 57.03 56.97 1cey h ASP 41 Cb 0.41 0.00 -0.12 0.00 0.68 0.00 0.00 39.33 40.30 1cey h ASP 41 CO -0.07 0.77 0.65 0.00 -1.61 0.00 0.00 179.24 178.97 1cey h ALA 42 N -0.77 2.11 0.48 -0.78 0.00 -0.31 0.56 119.26 120.54 1cey h ALA 42 Ca -0.04 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1cey h ALA 42 Cb 0.46 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1cey h ALA 42 CO -0.02 -0.61 -0.23 1.25 0.00 0.00 0.00 179.25 179.63 1cey h LEU 43 N 0.39 -0.55 -2.62 0.00 6.46 -0.84 0.37 115.31 118.52 1cey h LEU 43 Ca 0.67 -0.03 0.01 0.00 -0.12 0.00 0.00 57.88 58.41 1cey h LEU 43 Cb 1.60 0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 41.67 1cey h LEU 43 CO -0.44 -0.13 0.10 0.78 -0.62 0.00 0.00 178.44 178.13 1cey h ASN 44 N -1.12 0.00 0.09 1.25 2.35 -0.94 -2.38 115.58 114.83 1cey h ASN 44 Ca -0.07 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.36 1cey h ASN 44 Cb 0.55 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.90 1cey h ASN 44 CO 0.11 0.00 -1.78 1.17 -1.65 0.00 0.00 177.43 175.28 1cey n LYS 45 N -3.25 0.70 0.28 0.81 3.00 0.18 -3.93 118.16 115.95 1cey n LYS 45 Ca -0.02 0.36 0.19 0.00 -0.00 0.00 0.00 58.31 58.83 1cey n LYS 45 Cb 0.17 -1.72 0.96 0.00 0.00 0.00 0.00 35.03 34.44 1cey n LYS 45 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1cey h LEU 46 N -0.26 0.00 0.00 3.14 4.07 0.24 0.72 115.31 123.22 1cey h LEU 46 Ca -0.40 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.56 1cey h LEU 46 Cb 1.81 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.55 1cey h LEU 46 CO -0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 177.36 1cey n GLN 47 N -2.83 0.08 0.00 1.13 6.02 -1.01 -2.96 117.38 117.81 1cey n GLN 47 Ca -0.02 0.19 0.00 0.00 -0.01 0.00 0.00 57.00 57.16 1cey n GLN 47 Cb 0.10 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.86 1cey n GLN 47 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1cey n ALA 48 N -1.23 -0.18 -1.46 -1.58 0.00 0.25 -4.68 120.51 111.64 1cey n ALA 48 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1cey n ALA 48 Cb 0.03 0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.60 1cey n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cey n GLY 49 N -0.83 -1.20 0.86 0.00 0.00 -1.23 -5.06 105.19 97.73 1cey n GLY 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.36 3.65 -0.02 0.00 -1.16 -4.99 105.19 102.31 1cey n GLY 50 Ca 0.00 -0.36 -0.40 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.24 1.48 1.28 1.61 4.02 -1.26 -4.86 117.16 119.18 1cey n TYR 51 Ca 0.00 0.51 0.13 0.00 -0.01 0.00 0.00 57.90 58.53 1cey n TYR 51 Cb 0.00 -2.27 0.41 0.00 -0.02 0.00 0.00 39.34 37.47 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 1.06 -0.61 3.58 2.72 0.00 -1.10 -4.86 105.19 105.97 1cey n GLY 52 Ca 0.09 -0.39 -0.15 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.46 -0.65 -0.03 1.61 5.36 -0.12 -4.08 117.98 117.61 1cey s PHE 53 Ca 0.26 1.34 -0.01 0.00 -0.96 0.00 0.00 56.93 57.56 1cey s PHE 53 Cb 0.19 0.36 0.03 0.00 -0.34 0.00 0.00 43.02 43.27 1cey s PHE 53 CO 0.50 -0.46 0.04 0.08 -1.46 0.00 0.00 175.22 173.92 1cey s VAL 54 N -0.50 -0.07 -0.41 3.12 1.01 -1.05 -1.69 120.40 120.82 1cey s VAL 54 Ca -0.05 0.30 -0.07 0.00 0.00 0.00 0.00 61.98 62.16 1cey s VAL 54 Cb -0.02 -0.12 0.08 0.00 0.00 0.00 0.00 36.38 36.32 1cey s VAL 54 CO 0.04 0.13 0.23 -0.63 0.00 0.00 0.00 175.10 174.87 1cey s ILE 55 N 1.52 3.96 0.55 2.22 1.01 -0.07 -1.55 121.20 128.85 1cey s ILE 55 Ca -0.03 -1.53 0.08 0.00 0.00 0.00 0.00 60.65 59.17 1cey s ILE 55 Cb -0.13 -3.46 0.06 0.00 0.01 0.00 0.00 42.46 38.94 1cey s ILE 55 CO -0.03 -0.51 0.59 -0.94 0.00 0.00 0.00 174.94 174.05 1cey s SER 56 N 2.02 4.88 0.00 3.58 1.04 -1.20 -2.42 113.70 121.59 1cey s SER 56 Ca 0.03 -1.04 0.00 0.00 0.48 0.00 0.00 55.95 55.43 1cey s SER 56 Cb -0.23 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.22 1cey s SER 56 CO 0.01 -1.21 0.00 -0.90 0.98 0.00 0.00 173.24 172.12 1cey n ASP 57 N -1.99 0.00 0.00 7.02 5.75 -1.25 -1.29 116.55 124.79 1cey n ASP 57 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.85 1cey n ASP 57 Cb 0.63 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.72 1cey n ASP 57 CO 0.00 0.00 0.00 1.87 -0.11 0.00 0.00 177.20 178.96 1cey n TRP 58 N 0.00 0.00 -2.70 2.11 -0.00 -1.23 -3.83 117.44 111.79 1cey n TRP 58 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.50 57.44 1cey n TRP 58 Cb 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 31.31 31.38 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 -0.89 -1.88 -0.08 5.87 2.85 -1.26 -1.98 115.26 117.89 1cey n ASN 59 Ca 0.00 -2.39 -0.21 0.00 -0.11 0.00 0.00 54.58 51.86 1cey n ASN 59 Cb 0.00 1.18 -0.12 0.00 1.24 0.00 0.00 39.78 42.08 1cey n ASN 59 CO 0.00 0.00 0.00 0.24 -2.11 0.00 0.00 177.26 175.39 1cey h MET 60 N 3.34 0.05 0.00 1.20 2.86 -1.98 -3.46 114.93 116.94 1cey h MET 60 Ca -0.21 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.35 1cey h MET 60 Cb 1.14 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.84 1cey h MET 60 CO 0.01 1.04 0.00 -0.35 1.06 0.00 0.00 176.91 178.67 1cey n PRO 61 N -4.29 0.84 -2.79 -0.22 -0.05 -1.26 -4.88 135.00 122.36 1cey n PRO 61 Ca -0.30 0.00 -0.43 0.00 -0.05 0.00 0.00 63.50 62.72 1cey n PRO 61 Cb 0.73 0.00 -0.04 0.00 -0.05 0.00 0.00 33.50 34.14 1cey n PRO 61 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 175.50 175.99 1cey s ASN 62 N -1.70 6.42 -0.14 3.54 6.03 -1.26 -4.53 114.94 123.30 1cey s ASN 62 Ca 0.00 -0.09 -0.02 0.00 -1.03 0.00 0.00 52.86 51.72 1cey s ASN 62 Cb 0.00 -2.46 0.01 0.00 -3.03 0.00 0.00 41.25 35.77 1cey s ASN 62 CO 0.00 -1.20 0.04 0.23 -2.03 0.00 0.00 177.10 174.14 1cey n MET 63 N 7.52 -2.31 -3.32 3.55 2.81 -1.26 -5.03 117.12 119.07 1cey n MET 63 Ca 0.05 2.02 -0.10 0.00 -1.81 0.00 0.00 57.70 57.86 1cey n MET 63 Cb 0.48 -3.19 -0.01 0.00 -0.71 0.00 0.00 33.22 29.79 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 -1.27 0.00 7.83 2.03 -1.26 -4.89 116.55 120.36 1cey n ASP 64 Ca -0.08 -2.38 0.00 0.00 0.52 0.00 0.00 54.79 52.85 1cey n ASP 64 Cb 0.28 2.26 0.00 0.00 -0.72 0.00 0.00 41.12 42.94 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 -0.43 0.23 0.06 0.27 0.00 -1.24 -3.68 105.19 100.40 1cey n GLY 65 Ca -0.02 0.58 -0.02 0.00 0.00 0.00 0.00 46.02 46.57 1cey n GLY 65 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1cey h LEU 66 N 0.00 -0.26 -1.42 0.99 3.38 -1.74 0.66 115.31 116.92 1cey h LEU 66 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1cey h LEU 66 Cb 0.00 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1cey h LEU 66 CO 0.00 -0.05 0.37 -0.08 0.09 0.00 0.00 178.44 178.77 1cey h GLU 67 N -0.04 0.75 -0.56 1.13 4.81 -1.90 0.55 114.58 119.32 1cey h GLU 67 Ca 0.01 -0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.27 1cey h GLU 67 Cb 0.08 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 1cey h GLU 67 CO -0.09 0.51 0.38 1.25 -0.73 0.00 0.00 179.01 180.33 1cey h LEU 68 N 0.77 0.41 0.00 1.64 5.85 -1.19 -0.80 115.31 122.00 1cey h LEU 68 Ca 0.21 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 1cey h LEU 68 Cb -0.07 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 40.87 1cey h LEU 68 CO -0.04 0.26 -0.35 0.25 -0.34 0.00 0.00 178.44 178.21 1cey h LEU 69 N 0.46 0.00 -1.72 2.25 6.46 0.17 -3.31 115.31 119.63 1cey h LEU 69 Ca 0.25 -0.00 0.53 0.00 -0.12 0.00 0.00 57.88 58.54 1cey h LEU 69 Cb 0.39 0.00 -0.11 0.00 -0.73 0.00 0.00 40.66 40.21 1cey h LEU 69 CO -0.07 0.68 1.17 0.50 -0.62 0.00 0.00 178.44 180.10 1cey h LYS 70 N -1.00 0.01 -0.36 1.25 3.64 -0.90 2.06 116.57 121.27 1cey h LYS 70 Ca -0.00 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 1cey h LYS 70 Cb 0.35 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1cey h LYS 70 CO -0.00 0.00 0.00 1.15 -2.27 0.00 0.00 179.45 178.33 1cey h THR 71 N 0.01 1.26 -0.83 1.00 2.02 -1.27 -2.17 112.91 112.93 1cey h THR 71 Ca 0.91 -0.98 0.13 0.00 0.77 0.00 0.00 66.41 67.24 1cey h THR 71 Cb 3.32 1.19 -0.06 0.00 -1.74 0.00 0.00 68.15 70.86 1cey h THR 71 CO -0.22 0.33 0.54 0.40 0.37 0.00 0.00 175.52 176.94 1cey h ILE 72 N 0.45 0.85 0.00 3.11 2.04 0.33 0.64 117.51 124.92 1cey h ILE 72 Ca 0.10 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1cey h ILE 72 Cb 0.46 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1cey h ILE 72 CO 0.02 0.11 0.00 0.03 0.00 0.00 0.00 178.15 178.31 1cey h ARG 73 N 0.62 0.00 -0.48 2.37 3.08 -1.08 -3.15 114.38 115.75 1cey h ARG 73 Ca 0.41 0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.60 1cey h ARG 73 Cb 0.69 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.72 1cey h ARG 73 CO -0.17 0.00 0.38 0.00 -1.07 0.00 0.00 179.97 179.12 1cey h ALA 74 N 2.29 2.36 -3.00 0.04 0.00 0.90 -3.37 119.26 118.48 1cey h ALA 74 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1cey h ALA 74 Cb 0.63 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1cey h ALA 74 CO 0.00 -0.63 0.00 -3.47 0.00 0.00 0.00 179.25 175.15 1cey n ASP 75 N -4.17 0.00 0.00 0.00 2.03 -1.19 -5.00 116.55 108.22 1cey n ASP 75 Ca 0.09 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.40 1cey n ASP 75 Cb 0.59 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.99 1cey n ASP 75 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1cey n GLY 76 N 0.39 1.36 0.05 0.27 0.00 -1.26 -4.94 105.19 101.05 1cey n GLY 76 Ca 0.00 -0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.06 1cey n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cey n ALA 77 N 0.00 2.61 -2.61 4.61 0.00 -1.26 -3.86 120.51 120.00 1cey n ALA 77 Ca 0.00 -0.14 -0.08 0.00 0.00 0.00 0.00 53.44 53.21 1cey n ALA 77 Cb 0.00 -1.36 0.04 0.00 0.00 0.00 0.00 19.45 18.13 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 -1.85 2.13 -0.94 0.00 2.81 -1.26 -4.93 117.12 113.08 1cey n MET 78 Ca 0.06 -3.67 -0.14 0.00 -1.81 0.00 0.00 57.70 52.13 1cey n MET 78 Cb 0.39 -1.73 -0.13 0.00 -0.71 0.00 0.00 33.22 31.04 1cey n MET 78 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1cey n SER 79 N -0.52 5.18 0.00 7.83 3.41 -1.25 -3.41 113.62 124.86 1cey n SER 79 Ca 0.17 -2.40 0.00 0.00 -0.26 0.00 0.00 58.87 56.38 1cey n SER 79 Cb 0.83 -1.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.48 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 2.73 1.26 -1.32 7.33 0.00 -1.26 -5.03 120.51 124.22 1cey n ALA 80 Ca 0.43 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.44 1cey n ALA 80 Cb 0.73 0.07 -0.13 0.00 0.00 0.00 0.00 19.45 20.12 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 -1.00 0.41 -4.59 0.00 -0.00 -1.22 -4.75 117.00 105.84 1cey n LEU 81 Ca 0.00 0.32 -0.42 0.00 -0.00 0.00 0.00 56.01 55.90 1cey n LEU 81 Cb 0.14 -0.85 -0.03 0.00 -0.00 0.00 0.00 43.42 42.68 1cey n LEU 81 CO 0.00 -0.69 1.70 -2.84 -0.00 0.00 0.00 177.39 175.57 1cey s PRO 82 N 7.50 3.13 -0.33 1.96 0.02 -1.26 -4.89 135.00 141.14 1cey s PRO 82 Ca 1.22 1.65 -0.07 0.00 0.02 0.00 0.00 61.00 63.82 1cey s PRO 82 Cb -1.25 -4.31 0.03 0.00 0.02 0.00 0.00 34.50 29.00 1cey s PRO 82 CO 0.51 -2.10 0.10 0.08 -0.33 0.00 0.00 177.00 175.26 1cey s VAL 83 N 7.95 3.90 -0.43 3.83 1.01 -1.26 -2.52 120.40 132.87 1cey s VAL 83 Ca 0.89 -0.98 -0.22 0.00 0.00 0.00 0.00 61.98 61.68 1cey s VAL 83 Cb -0.26 -3.14 0.02 0.00 0.00 0.00 0.00 36.38 33.00 1cey s VAL 83 CO 0.33 -0.10 0.71 -0.22 0.00 0.00 0.00 175.10 175.82 1cey s LEU 84 N 1.44 4.35 -0.33 3.92 2.96 -0.59 -1.65 118.68 128.78 1cey s LEU 84 Ca -0.00 -0.15 -0.20 0.00 -0.22 0.00 0.00 54.13 53.56 1cey s LEU 84 Cb -0.19 -2.85 -0.01 0.00 0.50 0.00 0.00 46.19 43.64 1cey s LEU 84 CO 0.03 -0.82 0.59 -0.32 -1.32 0.00 0.00 176.35 174.51 1cey s MET 85 N 3.03 3.79 0.08 1.98 -2.45 -0.71 -3.26 119.30 121.76 1cey s MET 85 Ca 0.26 0.12 0.01 0.00 -1.25 0.00 0.00 55.69 54.84 1cey s MET 85 Cb -0.13 -3.76 -0.04 0.00 1.25 0.00 0.00 34.83 32.15 1cey s MET 85 CO 0.20 -0.61 0.16 0.14 1.05 0.00 0.00 175.02 175.96 1cey s VAL 86 N 2.56 5.04 0.00 10.11 -7.23 -0.41 -2.74 120.40 127.72 1cey s VAL 86 Ca 0.23 -0.57 0.00 0.00 -1.81 0.00 0.00 61.98 59.83 1cey s VAL 86 Cb -0.15 -3.46 0.00 0.00 0.56 0.00 0.00 36.38 33.33 1cey s VAL 86 CO 0.13 0.11 0.00 1.07 -0.31 0.00 0.00 175.10 176.10 1cey n THR 87 N 0.29 0.00 -0.22 5.32 5.66 -0.76 -3.57 114.28 120.99 1cey n THR 87 Ca -0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 1cey n THR 87 Cb 0.51 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.29 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 0.00 -0.54 1.79 0.00 -1.26 0.33 120.51 117.82 1cey n ALA 88 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1cey n ALA 88 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.00 -2.27 0.00 -0.58 -1.26 -4.84 120.64 111.68 1cey n GLU 89 Ca 0.00 0.23 0.00 0.00 -0.42 0.00 0.00 57.16 56.97 1cey n GLU 89 Cb 0.00 -0.73 0.00 0.00 -0.57 0.00 0.00 31.44 30.14 1cey n GLU 89 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1cey n ALA 90 N -1.18 -1.94 -2.97 0.62 0.00 -1.26 -5.00 120.51 108.78 1cey n ALA 90 Ca 0.00 0.47 -0.14 0.00 0.00 0.00 0.00 53.44 53.77 1cey n ALA 90 Cb 0.00 -1.44 0.02 0.00 0.00 0.00 0.00 19.45 18.03 1cey n ALA 90 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1cey n LYS 91 N 1.90 1.00 0.00 0.00 3.00 -1.26 -4.97 118.16 117.84 1cey n LYS 91 Ca 0.00 -2.75 0.00 0.00 -0.00 0.00 0.00 58.31 55.56 1cey n LYS 91 Cb 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 35.03 33.66 1cey n LYS 91 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1cey n LYS 92 N 0.27 0.00 0.30 1.64 4.81 -1.26 -2.59 118.16 121.33 1cey n LYS 92 Ca 0.16 0.00 0.07 0.00 -0.87 0.00 0.00 58.31 57.67 1cey n LYS 92 Cb 0.69 0.00 0.40 0.00 0.02 0.00 0.00 35.03 36.13 1cey n LYS 92 CO 0.00 0.00 0.00 1.05 1.17 0.00 0.00 177.40 179.62 1cey h GLU 93 N 0.00 0.00 0.08 1.64 4.11 -2.01 0.62 114.58 119.01 1cey h GLU 93 Ca 0.00 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 59.10 1cey h GLU 93 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1cey h GLU 93 CO 0.00 0.00 -1.85 -0.91 0.07 0.00 0.00 179.01 176.32 1cey h ASN 94 N 0.00 0.25 0.44 3.06 2.35 -1.88 -3.25 115.58 116.56 1cey h ASN 94 Ca 0.00 -0.55 0.00 0.00 -0.55 0.00 0.00 56.30 55.20 1cey h ASN 94 Cb 1.22 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.51 1cey h ASN 94 CO 0.00 1.50 0.00 0.40 -1.65 0.00 0.00 177.43 177.68 1cey h ILE 95 N 0.04 0.00 0.14 2.81 2.04 -0.02 -2.15 117.51 120.38 1cey h ILE 95 Ca -0.36 -0.20 -0.26 0.00 1.00 0.00 0.00 64.86 65.04 1cey h ILE 95 Cb 2.03 1.07 0.01 0.00 -0.74 0.00 0.00 36.82 39.19 1cey h ILE 95 CO 0.09 0.00 -1.25 0.40 0.00 0.00 0.00 178.15 177.39 1cey h ILE 96 N 0.00 1.20 -0.56 -0.67 5.03 -1.59 -3.18 117.51 117.75 1cey h ILE 96 Ca 0.00 -2.48 0.16 0.00 -0.12 0.00 0.00 64.86 62.42 1cey h ILE 96 Cb 0.22 2.90 -0.02 0.00 -3.03 0.00 0.00 36.82 36.89 1cey h ILE 96 CO 0.00 0.73 0.70 0.00 -0.68 0.00 0.00 178.15 178.90 1cey h ALA 97 N 0.02 2.31 -0.20 1.87 0.00 -1.42 0.21 119.26 122.05 1cey h ALA 97 Ca -0.25 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.69 1cey h ALA 97 Cb 1.78 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 19.55 1cey h ALA 97 CO 0.12 -0.99 -0.29 0.00 0.00 0.00 0.00 179.25 178.08 1cey h ALA 98 N 1.12 -0.27 -0.90 0.00 0.00 -1.50 0.33 119.26 118.04 1cey h ALA 98 Ca 0.26 0.05 0.14 0.00 0.00 0.00 0.00 54.91 55.37 1cey h ALA 98 Cb 1.66 0.59 -0.09 0.00 0.00 0.00 0.00 17.79 19.95 1cey h ALA 98 CO -0.00 -0.75 0.50 0.00 0.00 0.00 0.00 179.25 179.00 1cey h ALA 99 N 0.58 1.36 0.00 0.00 0.00 -0.69 3.42 119.26 123.94 1cey h ALA 99 Ca 0.12 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1cey h ALA 99 Cb 0.52 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1cey h ALA 99 CO -0.39 -0.01 -0.04 1.96 0.00 0.00 0.00 179.25 180.78 1cey h GLN 100 N 0.73 0.00 0.00 0.00 7.50 -0.60 -3.42 115.11 119.31 1cey h GLN 100 Ca 0.48 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.63 1cey h GLN 100 Cb 0.63 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.16 1cey h GLN 100 CO -0.33 0.04 0.00 0.00 -1.50 0.00 0.00 178.83 177.03 1cey n ALA 101 N -2.43 2.03 -1.49 3.87 0.00 0.52 -4.35 120.51 118.67 1cey n ALA 101 Ca -0.03 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.27 1cey n ALA 101 Cb 0.12 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.46 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 0.53 -0.40 0.00 0.00 0.00 1.02 -4.54 105.19 101.80 1cey n GLY 102 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 18.53 0.00 -0.20 4.61 0.00 -0.90 -2.61 120.51 139.94 1cey n ALA 103 Ca 0.38 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.79 1cey n ALA 103 Cb 0.47 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.89 1cey n ALA 103 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1cey n SER 104 N 0.00 -0.45 -3.21 0.00 2.88 -0.66 -4.69 113.62 107.50 1cey n SER 104 Ca 0.00 0.87 -0.08 0.00 -1.33 0.00 0.00 58.87 58.33 1cey n SER 104 Cb 0.00 -0.14 0.01 0.00 -0.75 0.00 0.00 64.21 63.33 1cey n SER 104 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1cey s GLY 105 N -3.03 0.23 -0.16 0.46 0.00 -1.22 -4.98 107.32 98.62 1cey s GLY 105 Ca -0.06 -0.61 -0.01 0.00 0.00 0.00 0.00 44.72 44.04 1cey s GLY 105 CO 0.32 -0.17 -0.03 -0.47 0.00 0.00 0.00 173.10 172.75 1cey s TYR 106 N -2.76 1.48 -0.14 1.90 5.04 -1.26 -1.73 117.35 119.88 1cey s TYR 106 Ca 0.14 -0.94 0.01 0.00 -2.44 0.00 0.00 57.07 53.84 1cey s TYR 106 Cb -0.05 -1.21 0.02 0.00 0.35 0.00 0.00 41.96 41.06 1cey s TYR 106 CO 0.10 -0.58 -0.18 0.54 -1.34 0.00 0.00 175.55 174.09 1cey s VAL 107 N 1.71 1.78 0.00 3.14 0.11 -1.11 -5.00 120.40 121.03 1cey s VAL 107 Ca 0.01 -0.79 0.00 0.00 -2.93 0.00 0.00 61.98 58.27 1cey s VAL 107 Cb -0.15 -1.61 0.00 0.00 -1.53 0.00 0.00 36.38 33.08 1cey s VAL 107 CO -0.07 0.49 0.00 1.33 -3.33 0.00 0.00 175.10 173.52 1cey n VAL 108 N 4.38 0.00 -3.52 2.04 0.24 -1.26 -1.84 118.33 118.37 1cey n VAL 108 Ca -0.19 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 61.98 1cey n VAL 108 Cb 0.51 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.83 1cey n VAL 108 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1cey s LYS 109 N -2.01 0.90 0.58 7.34 -2.85 0.15 -4.26 119.74 119.59 1cey s LYS 109 Ca 0.00 0.02 -0.16 0.00 -1.00 0.00 0.00 55.97 54.83 1cey s LYS 109 Cb 0.00 0.42 -0.04 0.00 -2.06 0.00 0.00 37.83 36.15 1cey s LYS 109 CO 0.00 -0.32 1.06 -1.25 0.10 0.00 0.00 175.35 174.94 1cey s PRO 110 N -1.86 3.36 0.20 1.78 0.05 -1.26 -4.69 135.00 132.58 1cey s PRO 110 Ca -0.03 1.24 0.11 0.00 0.05 0.00 0.00 61.00 62.36 1cey s PRO 110 Cb -0.00 -2.04 -0.04 0.00 0.05 0.00 0.00 34.50 32.46 1cey s PRO 110 CO 0.01 -0.78 -0.19 -0.59 0.05 0.00 0.00 177.00 175.50 1cey s PHE 111 N -2.38 2.40 0.25 0.56 -0.12 -1.26 -5.10 117.98 112.33 1cey s PHE 111 Ca 0.64 -0.31 -0.10 0.00 -0.05 0.00 0.00 56.93 57.11 1cey s PHE 111 Cb -0.16 -1.16 -0.07 0.00 -0.63 0.00 0.00 43.02 40.99 1cey s PHE 111 CO 0.35 0.54 0.58 0.99 -0.05 0.00 0.00 175.22 177.63 1cey s THR 112 N -1.82 4.90 0.13 -4.49 2.01 -1.26 -4.81 115.64 110.30 1cey s THR 112 Ca 0.23 0.51 0.13 0.00 0.31 0.00 0.00 61.69 62.88 1cey s THR 112 Cb -0.08 -3.63 0.13 0.00 0.01 0.00 0.00 72.50 68.94 1cey s THR 112 CO 0.12 -0.12 1.30 0.00 -0.69 0.00 0.00 174.62 175.23 1cey h ALA 113 N 2.40 1.26 0.11 7.40 0.00 -1.99 1.26 119.26 129.69 1cey h ALA 113 Ca -0.47 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.16 1cey h ALA 113 Cb 1.17 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1cey h ALA 113 CO 0.68 -0.26 -1.32 0.00 0.00 0.00 0.00 179.25 178.35 1cey h ALA 114 N 1.06 0.20 0.26 0.00 0.00 -1.98 -2.29 119.26 116.52 1cey h ALA 114 Ca 0.00 -0.98 -0.01 0.00 0.00 0.00 0.00 54.91 53.92 1cey h ALA 114 Cb 0.73 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1cey h ALA 114 CO 0.00 1.08 -0.13 1.79 0.00 0.00 0.00 179.25 181.99 1cey h THR 115 N 0.06 0.00 -0.96 0.00 1.35 0.12 -2.58 112.91 110.90 1cey h THR 115 Ca -0.16 -0.62 0.22 0.00 -0.55 0.00 0.00 66.41 65.30 1cey h THR 115 Cb 1.96 0.00 -0.08 0.00 -1.73 0.00 0.00 68.15 68.30 1cey h THR 115 CO 0.18 0.00 0.62 0.25 -0.25 0.00 0.00 175.52 176.32 1cey h LEU 116 N -0.97 0.48 0.17 3.87 6.46 -1.54 -1.93 115.31 121.85 1cey h LEU 116 Ca -0.04 0.06 -0.00 0.00 -0.12 0.00 0.00 57.88 57.78 1cey h LEU 116 Cb 0.27 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.17 1cey h LEU 116 CO 0.06 0.17 -0.18 -0.33 -0.62 0.00 0.00 178.44 177.53 1cey h GLU 117 N 0.47 -0.34 -1.09 1.25 5.08 -1.39 0.30 114.58 118.86 1cey h GLU 117 Ca 0.52 0.02 0.32 0.00 -1.00 0.00 0.00 59.36 59.22 1cey h GLU 117 Cb 1.21 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.50 1cey h GLU 117 CO -0.24 -0.23 1.03 0.93 -1.00 0.00 0.00 179.01 179.50 1cey h GLU 118 N -0.35 0.00 0.13 2.33 5.08 -0.94 0.37 114.58 121.19 1cey h GLU 118 Ca -0.02 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.10 1cey h GLU 118 Cb 0.31 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.57 1cey h GLU 118 CO -0.03 0.00 -1.18 0.87 -1.00 0.00 0.00 179.01 177.68 1cey h LYS 119 N 0.00 0.27 0.46 2.33 6.56 -0.65 -3.19 116.57 122.35 1cey h LYS 119 Ca 0.52 -0.46 -0.02 0.00 -1.06 0.00 0.00 60.65 59.62 1cey h LYS 119 Cb 2.57 0.17 0.00 0.00 -0.57 0.00 0.00 32.23 34.41 1cey h LYS 119 CO -0.01 1.22 -0.22 -0.07 -2.06 0.00 0.00 179.45 178.32 1cey h LEU 120 N -0.33 -0.52 -1.87 2.94 3.38 0.33 -1.28 115.31 117.95 1cey h LEU 120 Ca -0.24 -0.09 0.19 0.00 0.09 0.00 0.00 57.88 57.84 1cey h LEU 120 Cb 1.72 0.13 -0.03 0.00 0.09 0.00 0.00 40.66 42.58 1cey h LEU 120 CO 0.10 -0.13 0.62 0.78 0.09 0.00 0.00 178.44 179.90 1cey h ASN 121 N -0.99 0.00 1.35 -0.43 -0.26 -1.36 1.12 115.58 115.00 1cey h ASN 121 Ca -0.06 0.00 -0.07 0.00 -0.56 0.00 0.00 56.30 55.61 1cey h ASN 121 Cb 0.58 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.83 1cey h ASN 121 CO 0.10 0.00 -0.67 0.50 -1.06 0.00 0.00 177.43 176.30 1cey h LYS 122 N 0.00 0.00 0.14 0.81 3.64 -1.48 -3.31 116.57 116.36 1cey h LYS 122 Ca 0.32 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.34 1cey h LYS 122 Cb 1.55 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.36 1cey h LYS 122 CO -0.00 0.21 -1.87 0.82 -2.27 0.00 0.00 179.45 176.34 1cey h ILE 123 N 0.00 0.77 0.00 2.00 2.04 0.23 -3.31 117.51 119.24 1cey h ILE 123 Ca -0.03 -2.45 0.00 0.00 1.00 0.00 0.00 64.86 63.37 1cey h ILE 123 Cb 1.24 2.60 0.00 0.00 -0.74 0.00 0.00 36.82 39.92 1cey h ILE 123 CO 0.03 0.86 0.00 0.49 0.00 0.00 0.00 178.15 179.53 1cey n PHE 124 N -3.48 0.00 0.19 1.37 3.72 0.99 -1.32 117.46 118.93 1cey n PHE 124 Ca -0.28 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.18 1cey n PHE 124 Cb 1.06 -0.28 0.34 0.00 -0.94 0.00 0.00 39.48 39.65 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 0.06 -1.08 4.81 -1.65 0.29 114.58 117.01 1cey h GLU 125 Ca 0.00 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.90 1cey h GLU 125 Cb 0.08 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.43 1cey h GLU 125 CO 0.00 0.37 -1.85 1.63 -0.73 0.00 0.00 179.01 178.43 1cey n LYS 126 N -3.54 0.69 0.13 1.92 5.02 -0.43 -3.77 118.16 118.18 1cey n LYS 126 Ca -0.00 0.28 0.13 0.00 -2.02 0.00 0.00 58.31 56.69 1cey n LYS 126 Cb 0.50 -1.75 0.41 0.00 -0.02 0.00 0.00 35.03 34.17 1cey n LYS 126 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1cey h LEU 127 N 0.03 0.00 -2.30 -0.35 7.12 -1.41 -3.48 115.31 114.92 1cey h LEU 127 Ca -0.35 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 57.65 1cey h LEU 127 Cb 2.03 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 42.16 1cey h LEU 127 CO 0.08 0.00 -0.81 0.61 -0.13 0.00 0.00 178.44 178.19 1cey n GLY 128 N 0.93 -2.81 0.00 3.75 0.00 0.10 -5.06 105.19 102.09 1cey n GLY 128 Ca 0.04 0.78 0.00 0.00 0.00 0.00 0.00 46.02 46.85 1cey n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35