#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 0.10 -0.74 0.00 9.92 -1.26 -4.83 116.55 119.74 1cey n ASP 3 Ca 0.00 1.11 0.06 0.00 -0.53 0.00 0.00 54.79 55.43 1cey n ASP 3 Cb 0.00 -1.15 0.18 0.00 -0.64 0.00 0.00 41.12 39.50 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 0.77 1.94 -2.73 -1.24 5.02 -1.26 -4.22 118.16 116.44 1cey n LYS 4 Ca 0.12 -1.43 -0.10 0.00 -2.02 0.00 0.00 58.31 54.88 1cey n LYS 4 Cb 0.32 -1.32 0.03 0.00 -0.02 0.00 0.00 35.03 34.03 1cey n LYS 4 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1cey n GLU 5 N 0.65 1.12 -2.76 1.97 0.28 -1.26 -3.85 120.64 116.79 1cey n GLU 5 Ca 0.13 -3.20 -0.43 0.00 -0.16 0.00 0.00 57.16 53.51 1cey n GLU 5 Cb 0.34 -1.25 -0.04 0.00 1.43 0.00 0.00 31.44 31.92 1cey n GLU 5 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 1cey s LEU 6 N -3.02 3.91 -0.35 -1.84 2.96 -1.26 -4.95 118.68 114.12 1cey s LEU 6 Ca 0.29 -0.02 -0.38 0.00 -0.22 0.00 0.00 54.13 53.79 1cey s LEU 6 Cb 0.44 -3.09 -0.14 0.00 0.50 0.00 0.00 46.19 43.90 1cey s LEU 6 CO 0.02 -1.21 2.06 0.29 -1.32 0.00 0.00 176.35 176.19 1cey n LYS 7 N 7.56 0.95 -4.00 1.98 5.02 -1.26 -4.81 118.16 123.60 1cey n LYS 7 Ca 0.06 0.29 -0.27 0.00 -2.02 0.00 0.00 58.31 56.36 1cey n LYS 7 Cb 0.48 -2.22 -0.04 0.00 -0.02 0.00 0.00 35.03 33.23 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 6.06 3.34 -0.25 2.13 0.40 -1.02 -2.05 117.98 126.58 1cey s PHE 8 Ca 1.08 0.08 -0.01 0.00 -0.60 0.00 0.00 56.93 57.48 1cey s PHE 8 Cb -1.01 -1.61 0.08 0.00 0.51 0.00 0.00 43.02 40.98 1cey s PHE 8 CO 0.56 0.53 0.04 -1.17 0.70 0.00 0.00 175.22 175.88 1cey s LEU 9 N -3.04 2.02 -0.45 -0.37 2.96 -0.67 -1.97 118.68 117.16 1cey s LEU 9 Ca 0.33 -1.27 -0.19 0.00 -0.22 0.00 0.00 54.13 52.77 1cey s LEU 9 Cb -0.11 -0.86 0.03 0.00 0.50 0.00 0.00 46.19 45.75 1cey s LEU 9 CO 0.26 -0.34 0.59 0.68 -1.32 0.00 0.00 176.35 176.22 1cey s VAL 10 N 1.63 4.90 -0.54 1.68 -7.23 -1.02 -1.10 120.40 118.73 1cey s VAL 10 Ca 0.03 -0.18 -0.02 0.00 -1.81 0.00 0.00 61.98 60.00 1cey s VAL 10 Cb -0.18 -4.19 0.35 0.00 0.56 0.00 0.00 36.38 32.92 1cey s VAL 10 CO -0.15 -0.62 2.05 0.52 -0.31 0.00 0.00 175.10 176.59 1cey n VAL 11 N 5.68 3.32 -2.30 1.32 0.31 -1.04 -2.31 118.33 123.31 1cey n VAL 11 Ca -0.04 -2.51 -0.38 0.00 -0.01 0.00 0.00 64.34 61.40 1cey n VAL 11 Cb 0.47 -1.24 -0.02 0.00 -0.91 0.00 0.00 33.84 32.14 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 -1.03 6.47 0.00 4.52 1.01 -1.26 -4.48 116.67 121.90 1cey s ASP 12 Ca 0.52 2.32 0.25 0.00 0.71 0.00 0.00 52.55 56.35 1cey s ASP 12 Cb 0.41 -2.61 0.41 0.00 1.01 0.00 0.00 42.92 42.14 1cey s ASP 12 CO -0.02 -0.71 1.38 -0.67 0.21 0.00 0.00 175.17 175.36 1cey n ASP 13 N -0.03 2.67 -4.82 0.27 2.03 -1.26 -4.60 116.55 110.81 1cey n ASP 13 Ca 0.05 -1.88 -0.37 0.00 0.52 0.00 0.00 54.79 53.11 1cey n ASP 13 Cb 0.47 -0.02 -0.06 0.00 -0.72 0.00 0.00 41.12 40.79 1cey n ASP 13 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1cey s PHE 14 N -1.96 3.68 -0.15 -0.67 0.40 -1.26 -4.95 117.98 113.09 1cey s PHE 14 Ca 0.31 1.28 0.00 0.00 -0.60 0.00 0.00 56.93 57.93 1cey s PHE 14 Cb 0.20 -2.53 0.15 0.00 0.51 0.00 0.00 43.02 41.36 1cey s PHE 14 CO 0.31 0.43 1.57 -1.13 0.70 0.00 0.00 175.22 177.10 1cey n SER 15 N 0.99 4.39 0.00 1.36 3.41 -1.26 -3.51 113.62 119.01 1cey n SER 15 Ca -0.05 -2.58 0.00 0.00 -0.26 0.00 0.00 58.87 55.98 1cey n SER 15 Cb 0.51 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.66 1cey n SER 15 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1cey n THR 16 N 0.40 0.00 0.01 6.66 5.66 -1.26 -4.94 114.28 120.80 1cey n THR 16 Ca 0.16 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 61.03 1cey n THR 16 Cb 0.70 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.47 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 0.62 0.00 1.09 -1.53 -1.96 -2.69 114.93 110.46 1cey h MET 17 Ca 0.00 -0.48 0.00 0.00 -3.44 0.00 0.00 59.70 55.78 1cey h MET 17 Cb 0.05 0.09 0.00 0.00 -0.55 0.00 0.00 31.60 31.19 1cey h MET 17 CO 0.00 1.10 0.00 0.00 0.14 0.00 0.00 176.91 178.15 1cey h ARG 18 N 0.44 0.00 -0.04 0.39 -0.00 -1.93 -1.82 114.38 111.42 1cey h ARG 18 Ca -0.03 0.00 -0.20 0.00 -0.50 0.00 0.00 59.98 59.25 1cey h ARG 18 Cb 1.31 0.00 0.01 0.00 0.00 0.00 0.00 29.97 31.29 1cey h ARG 18 CO 0.14 0.00 -0.76 -0.09 0.00 0.00 0.00 179.97 179.26 1cey h ARG 19 N 0.00 0.59 0.26 0.04 2.43 -1.86 -2.22 114.38 113.62 1cey h ARG 19 Ca 0.00 -0.58 -0.00 0.00 -0.81 0.00 0.00 59.98 58.59 1cey h ARG 19 Cb 0.08 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1cey h ARG 19 CO 0.00 1.19 -0.18 0.82 -1.51 0.00 0.00 179.97 180.29 1cey h ILE 20 N 0.20 0.61 -0.47 1.20 5.03 -1.40 -2.66 117.51 120.02 1cey h ILE 20 Ca -0.08 0.00 -0.06 0.00 -0.12 0.00 0.00 64.86 64.60 1cey h ILE 20 Cb 1.43 0.61 -0.02 0.00 -3.03 0.00 0.00 36.82 35.80 1cey h ILE 20 CO 0.15 0.00 0.04 -0.37 -0.68 0.00 0.00 178.15 177.29 1cey h VAL 21 N -0.44 1.23 -0.55 1.67 -1.51 -1.64 -2.43 116.25 112.58 1cey h VAL 21 Ca -0.02 -0.91 0.10 0.00 -1.23 0.00 0.00 66.70 64.64 1cey h VAL 21 Cb 0.38 0.82 -0.11 0.00 -2.13 0.00 0.00 31.29 30.26 1cey h VAL 21 CO 0.00 0.32 -0.36 0.03 -1.23 0.00 0.00 177.57 176.34 1cey h ARG 22 N 0.72 -0.19 0.53 5.19 3.08 -1.04 0.35 114.38 123.01 1cey h ARG 22 Ca 0.15 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.19 1cey h ARG 22 Cb 0.38 0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.48 1cey h ARG 22 CO 0.01 -0.13 -0.25 -0.97 -1.07 0.00 0.00 179.97 177.56 1cey h ASN 23 N -0.20 -0.60 -0.47 7.04 -1.24 -1.43 -2.10 115.58 116.58 1cey h ASN 23 Ca 0.21 -0.05 0.04 0.00 0.71 0.00 0.00 56.30 57.21 1cey h ASN 23 Cb 0.55 0.16 -0.06 0.00 0.73 0.00 0.00 38.32 39.70 1cey h ASN 23 CO -0.65 -0.22 -0.32 0.25 -1.29 0.00 0.00 177.43 175.20 1cey h LEU 24 N -1.04 -1.14 -0.78 0.34 5.85 -0.92 0.61 115.31 118.24 1cey h LEU 24 Ca -0.07 0.17 0.16 0.00 0.84 0.00 0.00 57.88 58.98 1cey h LEU 24 Cb 0.62 0.50 -0.11 0.00 0.37 0.00 0.00 40.66 42.04 1cey h LEU 24 CO 0.12 -0.14 0.28 -0.07 -0.34 0.00 0.00 178.44 178.28 1cey h LEU 25 N -0.05 0.20 -0.52 2.25 3.38 -0.40 0.15 115.31 120.32 1cey h LEU 25 Ca 0.08 0.13 0.10 0.00 0.09 0.00 0.00 57.88 58.27 1cey h LEU 25 Cb 0.24 0.13 -0.08 0.00 0.09 0.00 0.00 40.66 41.04 1cey h LEU 25 CO -0.47 0.04 0.04 0.50 0.09 0.00 0.00 178.44 178.64 1cey h LYS 26 N 0.38 0.16 0.00 1.13 3.64 0.82 0.65 116.57 123.34 1cey h LYS 26 Ca 0.44 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.81 1cey h LYS 26 Cb 0.73 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.51 1cey h LYS 26 CO -0.46 0.11 -0.00 1.49 -2.27 0.00 0.00 179.45 178.31 1cey h GLU 27 N 0.16 0.00 -0.14 1.90 4.57 0.19 0.26 114.58 121.53 1cey h GLU 27 Ca 0.27 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.45 1cey h GLU 27 Cb 0.39 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 1cey h GLU 27 CO -0.40 0.00 0.00 1.28 -1.18 0.00 0.00 179.01 178.71 1cey n LEU 28 N -3.58 1.60 -1.39 1.64 4.77 0.22 -4.93 117.00 115.33 1cey n LEU 28 Ca -0.03 -0.65 0.00 0.00 -0.03 0.00 0.00 56.01 55.30 1cey n LEU 28 Cb 0.08 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1cey n LEU 28 CO 0.25 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 1cey n GLY 29 N 1.13 0.89 3.19 -0.72 0.00 0.93 -4.94 105.19 105.67 1cey n GLY 29 Ca 0.17 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.94 -0.27 0.00 1.61 0.08 -1.10 -4.19 117.98 111.16 1cey s PHE 30 Ca 0.00 0.62 0.09 0.00 0.12 0.00 0.00 56.93 57.77 1cey s PHE 30 Cb 0.00 0.10 0.16 0.00 -0.57 0.00 0.00 43.02 42.70 1cey s PHE 30 CO 0.00 -0.22 0.99 -1.71 -0.10 0.00 0.00 175.22 174.19 1cey n ASN 31 N 2.47 -0.01 -3.66 1.36 5.15 -1.26 -3.76 115.26 115.55 1cey n ASN 31 Ca -0.15 -1.87 -0.29 0.00 -0.60 0.00 0.00 54.58 51.67 1cey n ASN 31 Cb 0.57 -0.02 -0.15 0.00 -0.53 0.00 0.00 39.78 39.65 1cey n ASN 31 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1cey s ASN 32 N -1.23 3.82 0.35 1.20 6.03 -1.26 -5.12 114.94 118.73 1cey s ASN 32 Ca 0.12 -1.56 0.00 0.00 -1.03 0.00 0.00 52.86 50.40 1cey s ASN 32 Cb 0.14 -0.67 -0.00 0.00 -3.03 0.00 0.00 41.25 37.69 1cey s ASN 32 CO -0.06 -0.42 0.44 0.68 -2.03 0.00 0.00 177.10 175.71 1cey s VAL 33 N 1.74 0.00 0.15 3.54 -7.23 -1.26 -2.44 120.40 114.90 1cey s VAL 33 Ca 0.10 -1.68 0.03 0.00 -1.81 0.00 0.00 61.98 58.62 1cey s VAL 33 Cb -0.17 -2.64 -0.01 0.00 0.56 0.00 0.00 36.38 34.12 1cey s VAL 33 CO -0.28 0.00 0.12 -0.62 -0.31 0.00 0.00 175.10 174.01 1cey n GLU 34 N -0.59 0.26 -4.08 4.82 1.02 -0.83 -4.94 120.64 116.30 1cey n GLU 34 Ca 0.02 -1.48 -0.09 0.00 -0.02 0.00 0.00 57.16 55.60 1cey n GLU 34 Cb 0.62 1.15 -0.10 0.00 -0.02 0.00 0.00 31.44 33.09 1cey n GLU 34 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1cey s GLU 35 N -2.61 0.59 0.16 3.49 2.02 -1.26 -2.43 118.70 118.66 1cey s GLU 35 Ca 0.16 -1.09 -0.01 0.00 0.02 0.00 0.00 54.97 54.05 1cey s GLU 35 Cb 0.01 0.07 0.01 0.00 0.10 0.00 0.00 34.13 34.32 1cey s GLU 35 CO 0.12 -0.07 0.23 0.00 0.02 0.00 0.00 175.26 175.56 1cey n ALA 36 N 0.48 -0.22 -1.64 5.21 0.00 -0.98 -4.95 120.51 118.41 1cey n ALA 36 Ca -0.16 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.58 1cey n ALA 36 Cb 0.59 0.56 0.00 0.00 0.00 0.00 0.00 19.45 20.61 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 -0.25 0.00 -3.09 0.00 0.28 -1.26 -4.03 120.64 112.28 1cey n GLU 37 Ca -0.00 -0.38 0.00 0.00 -0.16 0.00 0.00 57.16 56.62 1cey n GLU 37 Cb 0.26 -0.28 0.00 0.00 1.43 0.00 0.00 31.44 32.85 1cey n GLU 37 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1cey n ASP 38 N 0.00 0.00 -0.07 -1.84 9.92 -1.26 -4.87 116.55 118.42 1cey n ASP 38 Ca 0.00 0.00 -0.14 0.00 -0.53 0.00 0.00 54.79 54.12 1cey n ASP 38 Cb 0.54 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.99 1cey n ASP 38 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 1cey h GLY 39 N 0.00 0.93 1.91 0.44 0.00 -1.97 0.20 103.07 104.58 1cey h GLY 39 Ca 0.00 -1.09 -0.00 0.00 0.00 0.00 0.00 47.33 46.24 1cey h GLY 39 CO 0.00 0.98 0.06 -0.24 0.00 0.00 0.00 176.54 177.33 1cey h VAL 40 N 0.65 1.03 0.10 4.60 3.04 -1.98 0.38 116.25 124.06 1cey h VAL 40 Ca 0.01 -0.06 -0.15 0.00 -1.01 0.00 0.00 66.70 65.49 1cey h VAL 40 Cb 1.15 0.90 0.01 0.00 -2.01 0.00 0.00 31.29 31.34 1cey h VAL 40 CO 0.12 0.03 -0.70 -0.78 -1.01 0.00 0.00 177.57 175.23 1cey h ASP 41 N 0.12 0.32 -0.51 3.17 1.82 -1.82 -2.81 116.42 116.72 1cey h ASP 41 Ca 0.03 -0.93 -0.07 0.00 -0.39 0.00 0.00 57.03 55.67 1cey h ASP 41 Cb -0.01 -0.10 -0.02 0.00 0.68 0.00 0.00 39.33 39.88 1cey h ASP 41 CO -0.01 1.32 0.06 0.00 -1.61 0.00 0.00 179.24 179.01 1cey h ALA 42 N 0.02 0.68 0.63 -0.78 0.00 -0.16 -1.86 119.26 117.78 1cey h ALA 42 Ca -0.13 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 1cey h ALA 42 Cb 1.48 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 19.08 1cey h ALA 42 CO 0.09 0.43 -0.30 -0.07 0.00 0.00 0.00 179.25 179.40 1cey h LEU 43 N 0.73 -0.71 -2.02 0.00 3.38 -0.39 0.92 115.31 117.23 1cey h LEU 43 Ca 0.15 -0.02 0.14 0.00 0.09 0.00 0.00 57.88 58.24 1cey h LEU 43 Cb 0.43 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1cey h LEU 43 CO 0.01 -0.37 0.37 0.78 0.09 0.00 0.00 178.44 179.32 1cey h ASN 44 N -1.08 0.00 0.46 -0.43 2.35 -1.53 -1.30 115.58 114.05 1cey h ASN 44 Ca -0.09 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.37 1cey h ASN 44 Cb 0.69 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.01 1cey h ASN 44 CO 0.14 0.00 -1.73 0.29 -1.65 0.00 0.00 177.43 174.48 1cey n LYS 45 N -4.24 0.64 -0.33 0.81 4.76 -0.70 -4.11 118.16 114.99 1cey n LYS 45 Ca 0.08 0.30 0.07 0.00 -2.87 0.00 0.00 58.31 55.89 1cey n LYS 45 Cb 0.57 -1.79 0.23 0.00 -1.84 0.00 0.00 35.03 32.21 1cey n LYS 45 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1cey h LEU 46 N 0.01 0.78 -0.33 -0.35 -0.00 0.21 0.49 115.31 116.13 1cey h LEU 46 Ca -0.30 0.06 0.00 0.00 -0.00 0.00 0.00 57.88 57.64 1cey h LEU 46 Cb 2.02 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 42.59 1cey h LEU 46 CO 0.08 0.40 0.00 0.00 -0.00 0.00 0.00 178.44 178.92 1cey n GLN 47 N -4.71 0.07 -0.07 1.13 10.64 -1.17 -1.94 117.38 121.33 1cey n GLN 47 Ca 0.18 0.37 -0.07 0.00 -1.83 0.00 0.00 57.00 55.65 1cey n GLN 47 Cb 0.38 -1.65 -0.05 0.00 -0.86 0.00 0.00 30.24 28.06 1cey n GLN 47 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1cey h ALA 48 N 2.32 -0.53 0.00 2.61 0.00 -0.18 -3.38 119.26 120.10 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 0.23 0.91 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1cey h ALA 48 CO 0.00 -0.66 0.00 0.41 0.00 0.00 0.00 179.25 179.00 1cey n GLY 49 N -1.18 -1.39 1.85 0.00 0.00 -1.24 -5.07 105.19 98.16 1cey n GLY 49 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.54 3.60 -0.02 0.00 -0.82 -4.87 105.19 100.54 1cey n GLY 50 Ca 0.00 0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 1cey n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cey s TYR 51 N -0.75 1.81 -0.72 1.61 1.51 -1.26 -4.79 117.35 114.77 1cey s TYR 51 Ca 0.02 0.60 0.00 0.00 -1.01 0.00 0.00 57.07 56.68 1cey s TYR 51 Cb -0.01 -4.12 0.02 0.00 -0.11 0.00 0.00 41.96 37.75 1cey s TYR 51 CO 0.22 -3.02 0.88 0.41 -1.11 0.00 0.00 175.55 172.92 1cey n GLY 52 N 5.36 -0.37 3.18 0.71 0.00 -1.18 -4.28 105.19 108.61 1cey n GLY 52 Ca 0.23 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.75 -0.55 -0.16 1.61 5.36 -0.87 -3.95 117.98 116.68 1cey s PHE 53 Ca -0.00 1.16 0.01 0.00 -0.96 0.00 0.00 56.93 57.14 1cey s PHE 53 Cb 0.00 0.18 0.02 0.00 -0.34 0.00 0.00 43.02 42.88 1cey s PHE 53 CO 0.00 -0.34 -0.16 0.08 -1.46 0.00 0.00 175.22 173.34 1cey s VAL 54 N 1.73 1.74 -0.23 3.12 1.01 -1.08 -1.67 120.40 125.02 1cey s VAL 54 Ca -0.07 -0.74 -0.08 0.00 0.00 0.00 0.00 61.98 61.09 1cey s VAL 54 Cb -0.10 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 1cey s VAL 54 CO -0.11 0.49 0.10 -0.63 0.00 0.00 0.00 175.10 174.94 1cey s ILE 55 N 1.39 4.76 0.18 2.22 1.01 -0.26 -2.21 121.20 128.29 1cey s ILE 55 Ca 0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 60.65 60.66 1cey s ILE 55 Cb -0.13 -3.20 -0.04 0.00 0.01 0.00 0.00 42.46 39.10 1cey s ILE 55 CO -0.11 0.36 0.10 -0.94 0.00 0.00 0.00 174.94 174.35 1cey s SER 56 N 1.16 0.34 0.00 3.58 1.04 -1.26 -2.50 113.70 116.06 1cey s SER 56 Ca 0.05 -1.33 0.00 0.00 0.48 0.00 0.00 55.95 55.16 1cey s SER 56 Cb -0.14 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.30 1cey s SER 56 CO 0.04 -0.79 0.00 -0.67 0.98 0.00 0.00 173.24 172.81 1cey n ASP 57 N -0.23 0.00 0.00 7.02 2.03 -1.26 0.11 116.55 124.21 1cey n ASP 57 Ca -0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.30 1cey n ASP 57 Cb 0.65 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.05 1cey n ASP 57 CO 0.00 0.00 0.00 1.87 -1.92 0.00 0.00 177.20 177.15 1cey n TRP 58 N 0.00 0.00 -3.26 -0.67 -0.00 -1.26 -3.88 117.44 108.37 1cey n TRP 58 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.50 57.11 1cey n TRP 58 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 31.31 31.25 1cey n TRP 58 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 1cey s ASN 59 N 2.00 6.63 0.00 5.87 2.47 -1.26 -1.02 114.94 129.63 1cey s ASN 59 Ca 0.00 0.76 0.00 0.00 0.42 0.00 0.00 52.86 54.04 1cey s ASN 59 Cb 0.00 -2.30 0.00 0.00 -1.45 0.00 0.00 41.25 37.50 1cey s ASN 59 CO 0.00 -0.11 0.00 0.23 -3.72 0.00 0.00 177.10 173.50 1cey n MET 60 N 4.30 0.00 0.00 0.43 2.81 -1.26 -4.98 117.12 118.42 1cey n MET 60 Ca -0.05 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.84 1cey n MET 60 Cb 0.51 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.02 1cey n MET 60 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 1cey n PRO 61 N 0.00 -1.29 0.00 0.03 -0.02 -1.26 -4.94 135.00 127.52 1cey n PRO 61 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1cey n PRO 61 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1cey n PRO 61 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1cey n ASN 62 N -2.66 0.00 0.00 2.55 2.04 -1.26 -4.62 115.26 111.30 1cey n ASN 62 Ca 0.00 0.25 0.00 0.00 -0.44 0.00 0.00 54.58 54.39 1cey n ASN 62 Cb 0.00 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.25 1cey n ASN 62 CO 0.00 0.00 0.00 0.23 -0.44 0.00 0.00 177.26 177.05 1cey n MET 63 N -0.41 0.00 -3.86 -3.83 2.81 -1.26 -5.05 117.12 105.52 1cey n MET 63 Ca 0.00 0.00 -0.11 0.00 -1.81 0.00 0.00 57.70 55.78 1cey n MET 63 Cb 0.00 0.00 -0.10 0.00 -0.71 0.00 0.00 33.22 32.41 1cey n MET 63 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 1cey s ASP 64 N -1.51 -0.02 0.00 7.83 1.47 -1.26 -4.52 116.67 118.66 1cey s ASP 64 Ca 0.00 -0.09 0.00 0.00 1.18 0.00 0.00 52.55 53.64 1cey s ASP 64 Cb 0.00 0.23 0.00 0.00 -0.34 0.00 0.00 42.92 42.81 1cey s ASP 64 CO 0.00 -0.30 0.86 0.61 0.68 0.00 0.00 175.17 177.02 1cey n GLY 65 N 1.79 -0.37 0.12 2.12 0.00 -0.19 -2.36 105.19 106.31 1cey n GLY 65 Ca -0.20 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.78 1cey n GLY 65 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1cey h LEU 66 N 0.00 -0.20 -1.96 0.99 6.46 -1.95 -0.75 115.31 117.91 1cey h LEU 66 Ca 0.00 0.01 0.12 0.00 -0.12 0.00 0.00 57.88 57.89 1cey h LEU 66 Cb 0.13 0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.09 1cey h LEU 66 CO 0.00 0.10 0.46 -0.33 -0.62 0.00 0.00 178.44 178.04 1cey h GLU 67 N -0.72 0.00 -0.12 1.25 4.39 -1.89 1.56 114.58 119.05 1cey h GLU 67 Ca -0.02 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.54 1cey h GLU 67 Cb 0.18 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 1cey h GLU 67 CO 0.04 0.00 -0.51 1.25 -1.16 0.00 0.00 179.01 178.63 1cey h LEU 68 N 0.00 0.36 0.00 1.33 6.46 -1.41 -2.59 115.31 119.47 1cey h LEU 68 Ca 0.20 -0.18 -0.03 0.00 -0.12 0.00 0.00 57.88 57.75 1cey h LEU 68 Cb 1.11 -0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 40.93 1cey h LEU 68 CO -0.00 0.82 -0.42 0.25 -0.62 0.00 0.00 178.44 178.47 1cey h LEU 69 N 0.26 0.00 -0.88 2.25 5.85 0.35 -3.34 115.31 119.80 1cey h LEU 69 Ca 0.01 -0.12 0.22 0.00 0.84 0.00 0.00 57.88 58.83 1cey h LEU 69 Cb 1.00 0.00 -0.16 0.00 0.37 0.00 0.00 40.66 41.87 1cey h LEU 69 CO 0.08 0.78 0.01 0.50 -0.34 0.00 0.00 178.44 179.47 1cey h LYS 70 N -1.00 0.06 -0.58 1.25 3.64 -0.07 0.59 116.57 120.46 1cey h LYS 70 Ca -0.04 -0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.45 1cey h LYS 70 Cb 0.48 -0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.20 1cey h LYS 70 CO -0.02 0.04 0.08 1.15 -2.27 0.00 0.00 179.45 178.43 1cey h THR 71 N 0.06 0.61 -0.95 1.00 2.02 -1.63 0.96 112.91 114.98 1cey h THR 71 Ca 0.51 -0.07 0.15 0.00 0.77 0.00 0.00 66.41 67.76 1cey h THR 71 Cb 0.96 0.39 -0.08 0.00 -1.74 0.00 0.00 68.15 67.67 1cey h THR 71 CO -0.80 0.04 0.60 0.40 0.37 0.00 0.00 175.52 176.13 1cey h ILE 72 N 0.21 0.83 0.00 3.11 2.04 0.07 0.29 117.51 124.05 1cey h ILE 72 Ca 0.30 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.88 1cey h ILE 72 Cb 0.46 -0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.51 1cey h ILE 72 CO -0.42 0.14 -0.46 -0.09 0.00 0.00 0.00 178.15 177.32 1cey h ARG 73 N 0.78 0.00 0.00 2.37 1.12 -0.02 -3.28 114.38 115.36 1cey h ARG 73 Ca 0.49 0.00 -0.18 0.00 -1.11 0.00 0.00 59.98 59.18 1cey h ARG 73 Cb 0.71 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 30.65 1cey h ARG 73 CO -0.26 0.06 -0.86 0.00 -3.11 0.00 0.00 179.97 175.80 1cey h ALA 74 N 1.93 0.48 -0.07 2.80 0.00 0.41 -3.36 119.26 121.45 1cey h ALA 74 Ca -0.01 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.12 1cey h ALA 74 Cb 1.06 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1cey h ALA 74 CO 0.01 1.07 0.00 -3.47 0.00 0.00 0.00 179.25 176.86 1cey n ASP 75 N -3.37 0.00 0.00 0.00 -0.08 0.38 -4.95 116.55 108.53 1cey n ASP 75 Ca 0.00 0.99 0.00 0.00 -1.51 0.00 0.00 54.79 54.27 1cey n ASP 75 Cb 0.86 -0.49 0.00 0.00 2.34 0.00 0.00 41.12 43.83 1cey n ASP 75 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1cey n GLY 76 N -0.99 2.71 0.48 0.27 0.00 -1.26 -4.90 105.19 101.51 1cey n GLY 76 Ca 0.00 -0.59 0.27 0.00 0.00 0.00 0.00 46.02 45.71 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 2.69 0.12 4.61 0.00 -1.92 0.23 119.26 124.99 1cey h ALA 77 Ca 0.00 -0.03 -0.35 0.00 0.00 0.00 0.00 54.91 54.53 1cey h ALA 77 Cb 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1cey h ALA 77 CO 0.00 -1.29 -1.93 -1.33 0.00 0.00 0.00 179.25 174.71 1cey n MET 78 N -3.63 0.75 0.00 0.00 2.81 -1.26 -4.94 117.12 110.85 1cey n MET 78 Ca 0.18 0.29 0.00 0.00 -1.81 0.00 0.00 57.70 56.36 1cey n MET 78 Cb 1.13 -1.72 0.00 0.00 -0.71 0.00 0.00 33.22 31.93 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 -3.57 0.00 0.09 7.83 2.88 0.82 -3.55 113.62 118.12 1cey n SER 79 Ca -0.32 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.22 1cey n SER 79 Cb 1.02 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.48 1cey n SER 79 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1cey n ALA 80 N 0.00 1.48 -2.11 -1.46 0.00 -1.26 -4.66 120.51 112.49 1cey n ALA 80 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1cey n ALA 80 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -2.93 -6.07 -4.72 0.00 7.94 -1.23 -4.73 117.00 105.26 1cey n LEU 81 Ca 0.00 3.35 -0.43 0.00 -1.11 0.00 0.00 56.01 57.83 1cey n LEU 81 Cb 0.00 -3.20 -0.03 0.00 0.53 0.00 0.00 43.42 40.72 1cey n LEU 81 CO 0.00 -1.76 1.29 -2.65 -1.11 0.00 0.00 177.39 173.16 1cey n PRO 82 N 1.94 2.62 -4.55 1.96 -0.02 -1.25 -4.84 135.00 130.86 1cey n PRO 82 Ca 0.00 0.94 -0.27 0.00 -2.02 0.00 0.00 63.50 62.15 1cey n PRO 82 Cb 0.00 -2.75 -0.17 0.00 -0.02 0.00 0.00 33.50 30.57 1cey n PRO 82 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1cey s VAL 83 N 0.72 1.34 -0.89 -1.45 1.01 -1.21 -2.64 120.40 117.29 1cey s VAL 83 Ca 0.72 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 62.13 1cey s VAL 83 Cb -0.54 -1.23 0.29 0.00 0.00 0.00 0.00 36.38 34.90 1cey s VAL 83 CO 0.39 0.41 1.18 -0.11 0.00 0.00 0.00 175.10 176.97 1cey n LEU 84 N 4.01 5.33 -4.68 3.92 7.94 -0.94 0.12 117.00 132.71 1cey n LEU 84 Ca -0.20 -5.33 -0.42 0.00 -1.11 0.00 0.00 56.01 48.95 1cey n LEU 84 Cb 0.52 -1.00 -0.03 0.00 0.53 0.00 0.00 43.42 43.43 1cey n LEU 84 CO 0.24 1.87 1.48 0.00 -1.11 0.00 0.00 177.39 179.88 1cey s MET 85 N -2.74 4.15 -0.21 1.96 0.23 -0.54 -4.10 119.30 118.04 1cey s MET 85 Ca 0.35 2.54 -0.11 0.00 -1.03 0.00 0.00 55.69 57.44 1cey s MET 85 Cb 0.10 -3.76 -0.05 0.00 -1.53 0.00 0.00 34.83 29.59 1cey s MET 85 CO 0.05 -0.86 0.20 0.14 -2.03 0.00 0.00 175.02 172.52 1cey s VAL 86 N 3.23 5.35 -0.14 5.16 -7.23 0.12 -2.40 120.40 124.48 1cey s VAL 86 Ca 0.81 0.29 -0.11 0.00 -1.81 0.00 0.00 61.98 61.17 1cey s VAL 86 Cb -0.44 -3.54 0.04 0.00 0.56 0.00 0.00 36.38 33.01 1cey s VAL 86 CO 0.37 0.37 0.36 0.28 -0.31 0.00 0.00 175.10 176.17 1cey s THR 87 N 0.81 -0.01 -0.67 5.32 -1.32 -0.84 -4.25 115.64 114.69 1cey s THR 87 Ca 0.10 0.03 0.24 0.00 -1.21 0.00 0.00 61.69 60.85 1cey s THR 87 Cb -0.13 -0.52 0.00 0.00 -1.51 0.00 0.00 72.50 70.35 1cey s THR 87 CO 0.03 0.01 1.25 0.00 -2.21 0.00 0.00 174.62 173.70 1cey n ALA 88 N 3.30 3.11 -1.35 11.08 0.00 -1.25 -2.81 120.51 132.59 1cey n ALA 88 Ca -0.16 -0.30 -0.26 0.00 0.00 0.00 0.00 53.44 52.72 1cey n ALA 88 Cb 0.57 -1.11 0.13 0.00 0.00 0.00 0.00 19.45 19.03 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 -2.01 2.46 -1.75 0.00 1.02 -1.26 -4.95 120.64 114.14 1cey n GLU 89 Ca 0.03 -3.22 -0.43 0.00 -0.02 0.00 0.00 57.16 53.53 1cey n GLU 89 Cb 0.43 -2.18 -0.03 0.00 -0.02 0.00 0.00 31.44 29.64 1cey n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1cey s ALA 90 N -3.52 3.11 0.00 0.62 0.00 -1.25 -4.93 121.76 115.79 1cey s ALA 90 Ca 0.58 0.86 0.00 0.00 0.00 0.00 0.00 51.96 53.40 1cey s ALA 90 Cb 0.48 -3.95 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1cey s ALA 90 CO 0.04 -2.23 0.00 1.17 0.00 0.00 0.00 175.76 174.74 1cey n LYS 91 N 8.13 0.00 0.00 0.00 3.00 -1.26 -5.04 118.16 123.00 1cey n LYS 91 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.55 1cey n LYS 91 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.47 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 0.00 0.00 0.29 1.64 4.81 -1.26 -4.60 118.16 119.04 1cey n LYS 92 Ca 0.00 0.00 0.07 0.00 -0.87 0.00 0.00 58.31 57.51 1cey n LYS 92 Cb 0.00 0.00 0.39 0.00 0.02 0.00 0.00 35.03 35.44 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 -0.18 1.64 4.11 -2.00 0.59 114.58 118.75 1cey h GLU 93 Ca 0.00 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.28 1cey h GLU 93 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1cey h GLU 93 CO 0.00 0.00 -0.51 -0.97 0.07 0.00 0.00 179.01 177.60 1cey h ASN 94 N 0.00 0.53 0.85 3.06 -0.00 -1.99 -1.97 115.58 116.06 1cey h ASN 94 Ca 0.00 -0.27 -0.21 0.00 -0.00 0.00 0.00 56.30 55.82 1cey h ASN 94 Cb 1.19 -0.15 -0.03 0.00 -0.00 0.00 0.00 38.32 39.33 1cey h ASN 94 CO 0.00 0.95 -1.23 0.40 -0.00 0.00 0.00 177.43 177.54 1cey h ILE 95 N 0.38 1.07 0.32 2.57 2.04 -0.07 -3.26 117.51 120.56 1cey h ILE 95 Ca 0.02 -2.73 -0.02 0.00 1.00 0.00 0.00 64.86 63.13 1cey h ILE 95 Cb 1.02 2.49 0.00 0.00 -0.74 0.00 0.00 36.82 39.59 1cey h ILE 95 CO 0.09 0.61 -0.15 0.40 0.00 0.00 0.00 178.15 179.10 1cey h ILE 96 N 0.00 0.00 -0.91 -0.67 1.08 -1.42 -1.08 117.51 114.50 1cey h ILE 96 Ca -0.13 -0.61 0.25 0.00 -0.39 0.00 0.00 64.86 63.98 1cey h ILE 96 Cb 1.76 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 35.36 1cey h ILE 96 CO 0.09 0.00 0.33 0.00 -0.69 0.00 0.00 178.15 177.88 1cey h ALA 97 N -1.19 1.45 -0.15 1.87 0.00 -1.54 0.30 119.26 120.00 1cey h ALA 97 Ca -0.04 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1cey h ALA 97 Cb 0.33 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1cey h ALA 97 CO 0.07 -0.47 -0.00 0.00 0.00 0.00 0.00 179.25 178.84 1cey h ALA 98 N 1.79 0.20 -0.64 0.00 0.00 -1.60 -3.03 119.26 115.98 1cey h ALA 98 Ca 0.59 -0.20 0.13 0.00 0.00 0.00 0.00 54.91 55.44 1cey h ALA 98 Cb 1.23 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 18.86 1cey h ALA 98 CO -0.63 -0.09 0.07 0.00 0.00 0.00 0.00 179.25 178.60 1cey h ALA 99 N 0.76 0.71 -0.13 0.00 0.00 0.92 0.69 119.26 122.20 1cey h ALA 99 Ca 0.04 0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.16 1cey h ALA 99 Cb 0.38 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1cey h ALA 99 CO 0.01 -0.37 0.19 1.96 0.00 0.00 0.00 179.25 181.04 1cey h GLN 100 N 0.18 0.00 0.00 0.00 4.20 -1.14 -3.37 115.11 114.97 1cey h GLN 100 Ca 0.34 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.05 1cey h GLN 100 Cb 0.56 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.34 1cey h GLN 100 CO -0.50 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 177.66 1cey n ALA 101 N -2.23 0.00 -0.74 3.87 0.00 0.24 -4.98 120.51 116.66 1cey n ALA 101 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1cey n ALA 101 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.75 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 4.39 0.52 0.07 0.00 0.00 -1.15 -4.81 105.19 104.21 1cey n GLY 102 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1cey n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cey n ALA 103 N -0.01 1.30 -0.30 4.61 0.00 -1.14 -3.33 120.51 121.63 1cey n ALA 103 Ca 0.00 0.00 0.24 0.00 0.00 0.00 0.00 53.44 53.68 1cey n ALA 103 Cb 0.19 -0.91 0.37 0.00 0.00 0.00 0.00 19.45 19.10 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 -0.33 0.03 -4.62 0.00 7.64 -1.26 -3.89 113.62 111.19 1cey n SER 104 Ca 0.00 0.53 -0.34 0.00 1.01 0.00 0.00 58.87 60.06 1cey n SER 104 Cb 0.00 -0.26 -0.10 0.00 -1.01 0.00 0.00 64.21 62.84 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 -3.46 1.86 -0.15 0.23 0.00 0.33 -4.92 107.32 101.22 1cey s GLY 105 Ca -0.03 -0.77 -0.04 0.00 0.00 0.00 0.00 44.72 43.88 1cey s GLY 105 CO 0.41 -0.14 0.25 -0.47 0.00 0.00 0.00 173.10 173.15 1cey s TYR 106 N 0.01 -0.38 -0.04 1.90 5.04 -1.25 -1.47 117.35 121.16 1cey s TYR 106 Ca 0.04 0.74 0.06 0.00 -2.44 0.00 0.00 57.07 55.47 1cey s TYR 106 Cb -0.13 -0.14 -0.02 0.00 0.35 0.00 0.00 41.96 42.02 1cey s TYR 106 CO 0.02 -0.42 -0.21 0.54 -1.34 0.00 0.00 175.55 174.13 1cey s VAL 107 N 2.39 2.47 -0.63 3.14 0.11 -1.01 -4.97 120.40 121.90 1cey s VAL 107 Ca 0.03 -0.94 -0.26 0.00 -2.93 0.00 0.00 61.98 57.89 1cey s VAL 107 Cb -0.13 -1.91 0.04 0.00 -1.53 0.00 0.00 36.38 32.85 1cey s VAL 107 CO -0.09 0.58 1.10 -0.69 -3.33 0.00 0.00 175.10 172.67 1cey s VAL 108 N -0.57 4.11 0.64 2.04 1.01 -1.26 -1.98 120.40 124.39 1cey s VAL 108 Ca 0.08 0.35 -0.15 0.00 0.00 0.00 0.00 61.98 62.26 1cey s VAL 108 Cb -0.11 -4.71 -0.01 0.00 0.00 0.00 0.00 36.38 31.54 1cey s VAL 108 CO 0.00 -1.43 1.09 -1.59 0.00 0.00 0.00 175.10 173.17 1cey s LYS 109 N 4.70 2.98 0.91 2.72 -2.85 -1.12 -4.39 119.74 122.69 1cey s LYS 109 Ca 0.33 1.29 -0.12 0.00 -1.00 0.00 0.00 55.97 56.47 1cey s LYS 109 Cb -0.11 -1.98 0.14 0.00 -2.06 0.00 0.00 37.83 33.82 1cey s LYS 109 CO 0.18 -1.09 1.12 -1.25 0.10 0.00 0.00 175.35 174.40 1cey s PRO 110 N -4.16 1.13 0.06 1.78 0.05 -1.26 -3.89 135.00 128.70 1cey s PRO 110 Ca 0.65 0.44 -0.06 0.00 0.05 0.00 0.00 61.00 62.08 1cey s PRO 110 Cb -0.18 -1.82 -0.01 0.00 0.05 0.00 0.00 34.50 32.53 1cey s PRO 110 CO 0.41 -2.24 0.10 -0.59 0.05 0.00 0.00 177.00 174.73 1cey s PHE 111 N -3.16 0.25 0.06 0.56 -0.12 -1.26 -5.07 117.98 109.24 1cey s PHE 111 Ca 0.64 -0.65 0.00 0.00 -0.05 0.00 0.00 56.93 56.87 1cey s PHE 111 Cb -0.16 -0.17 -0.04 0.00 -0.63 0.00 0.00 43.02 42.03 1cey s PHE 111 CO 0.55 -0.43 0.18 0.99 -0.05 0.00 0.00 175.22 176.45 1cey s THR 112 N -3.35 5.22 0.50 -4.49 2.01 -1.26 -4.84 115.64 109.43 1cey s THR 112 Ca 0.01 -0.44 0.33 0.00 0.31 0.00 0.00 61.69 61.90 1cey s THR 112 Cb 0.03 -3.53 0.52 0.00 0.01 0.00 0.00 72.50 69.53 1cey s THR 112 CO -0.08 0.16 1.76 0.00 -0.69 0.00 0.00 174.62 175.77 1cey h ALA 113 N 3.21 2.93 -0.39 7.40 0.00 -1.98 1.96 119.26 132.39 1cey h ALA 113 Ca -0.46 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.33 1cey h ALA 113 Cb 1.16 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1cey h ALA 113 CO 0.73 -1.33 -0.23 0.00 0.00 0.00 0.00 179.25 178.42 1cey h ALA 114 N 1.45 0.86 0.03 0.00 0.00 -1.98 0.26 119.26 119.88 1cey h ALA 114 Ca 0.63 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1cey h ALA 114 Cb 2.23 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.87 1cey h ALA 114 CO -0.12 0.63 -0.01 1.15 0.00 0.00 0.00 179.25 180.90 1cey h THR 115 N 0.68 0.00 -1.15 0.00 2.02 0.27 -1.49 112.91 113.23 1cey h THR 115 Ca 0.09 -0.03 0.37 0.00 0.77 0.00 0.00 66.41 67.62 1cey h THR 115 Cb 0.75 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 67.02 1cey h THR 115 CO 0.06 0.00 0.71 0.25 0.37 0.00 0.00 175.52 176.91 1cey h LEU 116 N -0.07 0.36 0.87 2.58 5.85 -1.13 0.05 115.31 123.82 1cey h LEU 116 Ca -0.00 0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 1cey h LEU 116 Cb 0.03 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.19 1cey h LEU 116 CO 0.01 -0.14 -0.47 -0.08 -0.34 0.00 0.00 178.44 177.42 1cey h GLU 117 N 0.20 -1.18 -1.00 1.25 4.81 -0.38 -2.42 114.58 115.86 1cey h GLU 117 Ca 0.76 0.08 0.31 0.00 -0.13 0.00 0.00 59.36 60.38 1cey h GLU 117 Cb 2.10 0.27 -0.14 0.00 0.63 0.00 0.00 28.75 31.61 1cey h GLU 117 CO -0.48 -0.79 0.57 1.49 -0.73 0.00 0.00 179.01 179.07 1cey h GLU 118 N -1.23 0.35 0.54 1.92 4.22 0.11 0.84 114.58 121.34 1cey h GLU 118 Ca -0.12 -0.02 -0.03 0.00 0.08 0.00 0.00 59.36 59.28 1cey h GLU 118 Cb 0.96 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1cey h GLU 118 CO 0.16 0.23 -0.26 0.87 -2.18 0.00 0.00 179.01 177.83 1cey h LYS 119 N 0.36 -0.70 0.00 1.92 1.79 -1.12 -1.95 116.57 116.87 1cey h LYS 119 Ca 0.72 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 59.23 1cey h LYS 119 Cb 1.59 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 32.40 1cey h LYS 119 CO -0.59 -0.47 0.00 1.28 -1.08 0.00 0.00 179.45 178.59 1cey n LEU 120 N -5.41 0.00 -0.32 2.94 4.77 0.25 -1.30 117.00 117.93 1cey n LEU 120 Ca -0.12 0.87 0.19 0.00 -0.03 0.00 0.00 56.01 56.92 1cey n LEU 120 Cb 0.30 -0.37 0.37 0.00 -2.33 0.00 0.00 43.42 41.40 1cey n LEU 120 CO 0.37 -0.37 0.84 0.59 -1.33 0.00 0.00 177.39 177.49 1cey n ASN 121 N -2.03 0.03 0.14 -1.43 4.13 -0.95 0.16 115.26 115.32 1cey n ASN 121 Ca 0.00 1.60 0.01 0.00 1.68 0.00 0.00 54.58 57.87 1cey n ASN 121 Cb 0.00 -0.65 0.34 0.00 -1.54 0.00 0.00 39.78 37.94 1cey n ASN 121 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 1cey h LYS 122 N 0.00 0.15 0.13 3.52 3.64 -0.78 -3.22 116.57 120.00 1cey h LYS 122 Ca 0.65 -0.05 -0.36 0.00 -1.27 0.00 0.00 60.65 59.62 1cey h LYS 122 Cb 1.50 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.29 1cey h LYS 122 CO -0.84 0.43 -1.97 0.82 -2.27 0.00 0.00 179.45 175.62 1cey h ILE 123 N 0.13 0.65 0.00 2.00 2.04 0.30 -3.34 117.51 119.29 1cey h ILE 123 Ca 0.02 -2.35 0.00 0.00 1.00 0.00 0.00 64.86 63.53 1cey h ILE 123 Cb 0.58 2.52 0.00 0.00 -0.74 0.00 0.00 36.82 39.18 1cey h ILE 123 CO 0.04 0.89 0.00 0.49 0.00 0.00 0.00 178.15 179.57 1cey n PHE 124 N -3.52 0.00 0.16 1.37 3.01 0.15 -0.96 117.46 117.67 1cey n PHE 124 Ca -0.31 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.18 1cey n PHE 124 Cb 1.04 0.00 0.15 0.00 -0.01 0.00 0.00 39.48 40.66 1cey n PHE 124 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1cey h GLU 125 N 0.00 0.00 0.00 -1.08 5.08 -1.68 -1.02 114.58 115.88 1cey h GLU 125 Ca 0.00 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.07 1cey h GLU 125 Cb 0.00 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 1cey h GLU 125 CO 0.00 0.46 -1.76 1.63 -1.00 0.00 0.00 179.01 178.34 1cey n LYS 126 N -3.33 0.64 0.13 2.33 5.02 -0.14 -3.88 118.16 118.93 1cey n LYS 126 Ca 0.01 0.25 -0.01 0.00 -2.02 0.00 0.00 58.31 56.54 1cey n LYS 126 Cb 0.65 -1.76 0.16 0.00 -0.02 0.00 0.00 35.03 34.06 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 0.00 0.00 -2.37 -0.35 7.12 -1.50 -3.48 115.31 114.73 1cey h LEU 127 Ca -0.30 0.00 -0.03 0.00 0.13 0.00 0.00 57.88 57.68 1cey h LEU 127 Cb 1.99 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 42.13 1cey h LEU 127 CO 0.07 0.63 -0.57 0.61 -0.13 0.00 0.00 178.44 179.05 1cey n GLY 128 N 0.35 -1.33 0.48 3.75 0.00 -0.40 -5.09 105.19 102.95 1cey n GLY 128 Ca -0.01 1.23 0.14 0.00 0.00 0.00 0.00 46.02 47.38 1cey n GLY 128 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47