#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 -2.24 -0.81 0.00 8.00 -1.26 -4.82 116.55 115.42 1cey n ASP 3 Ca 0.00 0.68 0.06 0.00 0.71 0.00 0.00 54.79 56.24 1cey n ASP 3 Cb 0.00 -1.03 0.18 0.00 -0.02 0.00 0.00 41.12 40.24 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 0.61 2.11 -2.74 -1.24 4.76 -1.26 -4.13 118.16 116.27 1cey n LYS 4 Ca 0.10 -1.42 -0.09 0.00 -2.87 0.00 0.00 58.31 54.02 1cey n LYS 4 Cb 0.48 -1.42 0.07 0.00 -1.84 0.00 0.00 35.03 32.32 1cey n LYS 4 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1cey n GLU 5 N 0.56 1.14 -2.29 1.97 1.02 -1.26 -1.21 120.64 120.56 1cey n GLU 5 Ca 0.13 -2.52 -0.42 0.00 -0.02 0.00 0.00 57.16 54.33 1cey n GLU 5 Cb 0.41 -0.76 -0.02 0.00 -0.02 0.00 0.00 31.44 31.04 1cey n GLU 5 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1cey s LEU 6 N -2.99 3.50 -0.52 -4.62 2.96 -1.26 -4.74 118.68 111.01 1cey s LEU 6 Ca 0.26 0.71 -0.33 0.00 -0.22 0.00 0.00 54.13 54.54 1cey s LEU 6 Cb 0.41 -3.33 -0.13 0.00 0.50 0.00 0.00 46.19 43.63 1cey s LEU 6 CO -0.04 -1.61 2.33 0.29 -1.32 0.00 0.00 176.35 176.00 1cey n LYS 7 N 8.37 0.78 -3.90 1.98 5.02 -1.25 -4.71 118.16 124.44 1cey n LYS 7 Ca 0.16 0.15 -0.27 0.00 -2.02 0.00 0.00 58.31 56.34 1cey n LYS 7 Cb 0.48 -2.39 -0.03 0.00 -0.02 0.00 0.00 35.03 33.07 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 8.53 3.49 -0.25 2.13 0.08 -0.54 -1.57 117.98 129.86 1cey s PHE 8 Ca 1.13 0.18 -0.00 0.00 0.12 0.00 0.00 56.93 58.36 1cey s PHE 8 Cb -0.85 -1.71 0.07 0.00 -0.57 0.00 0.00 43.02 39.96 1cey s PHE 8 CO 0.46 0.51 0.00 -1.17 -0.10 0.00 0.00 175.22 174.92 1cey s LEU 9 N -3.10 2.32 -0.34 -0.37 2.96 -0.47 -1.81 118.68 117.88 1cey s LEU 9 Ca 0.35 -1.24 -0.18 0.00 -0.22 0.00 0.00 54.13 52.84 1cey s LEU 9 Cb -0.11 -1.01 -0.01 0.00 0.50 0.00 0.00 46.19 45.56 1cey s LEU 9 CO 0.28 -0.30 0.54 0.68 -1.32 0.00 0.00 176.35 176.24 1cey s VAL 10 N 1.52 5.00 -0.41 1.68 -7.23 -1.09 -1.13 120.40 118.73 1cey s VAL 10 Ca -0.01 0.46 -0.16 0.00 -1.81 0.00 0.00 61.98 60.46 1cey s VAL 10 Cb -0.18 -3.97 0.02 0.00 0.56 0.00 0.00 36.38 32.81 1cey s VAL 10 CO -0.10 -0.19 0.35 -0.69 -0.31 0.00 0.00 175.10 174.15 1cey s VAL 11 N 2.44 5.19 0.14 1.32 1.01 -1.07 -1.89 120.40 127.55 1cey s VAL 11 Ca 0.20 -0.50 -0.25 0.00 0.00 0.00 0.00 61.98 61.43 1cey s VAL 11 Cb -0.15 -3.96 0.07 0.00 0.00 0.00 0.00 36.38 32.34 1cey s VAL 11 CO 0.13 -0.33 0.93 -0.62 0.00 0.00 0.00 175.10 175.21 1cey s ASP 12 N 1.73 -0.21 -0.15 3.32 2.15 -1.13 -3.45 116.67 118.93 1cey s ASP 12 Ca 0.08 -0.35 0.16 0.00 0.43 0.00 0.00 52.55 52.86 1cey s ASP 12 Cb -0.18 0.49 -0.22 0.00 -0.30 0.00 0.00 42.92 42.71 1cey s ASP 12 CO 0.11 -0.89 0.10 -0.67 -0.17 0.00 0.00 175.17 173.66 1cey n ASP 13 N -0.44 0.76 -4.76 -0.34 -0.08 -1.26 -4.18 116.55 106.25 1cey n ASP 13 Ca -0.06 0.00 -0.41 0.00 -1.51 0.00 0.00 54.79 52.81 1cey n ASP 13 Cb 0.61 1.03 -0.03 0.00 2.34 0.00 0.00 41.12 45.07 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 -2.51 3.16 -0.17 -0.67 0.40 -1.26 -4.93 117.98 112.00 1cey s PHE 14 Ca -0.08 1.38 0.10 0.00 -0.60 0.00 0.00 56.93 57.73 1cey s PHE 14 Cb 0.06 -3.62 -0.23 0.00 0.51 0.00 0.00 43.02 39.74 1cey s PHE 14 CO 0.71 -1.75 0.17 0.43 0.70 0.00 0.00 175.22 175.48 1cey n SER 15 N 1.33 0.90 0.22 1.36 7.64 -1.26 -3.99 113.62 119.83 1cey n SER 15 Ca 0.02 0.09 0.11 0.00 1.01 0.00 0.00 58.87 60.10 1cey n SER 15 Cb 0.42 0.22 0.33 0.00 -1.01 0.00 0.00 64.21 64.17 1cey n SER 15 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1cey h THR 16 N 0.01 0.25 0.24 0.44 1.35 -2.01 -3.16 112.91 110.02 1cey h THR 16 Ca -0.48 -1.10 -0.01 0.00 -0.55 0.00 0.00 66.41 64.26 1cey h THR 16 Cb 2.09 1.90 0.00 0.00 -1.73 0.00 0.00 68.15 70.42 1cey h THR 16 CO 0.02 0.12 -0.11 -0.03 -0.25 0.00 0.00 175.52 175.27 1cey h MET 17 N 0.00 -0.31 0.00 4.72 -1.53 -1.98 -3.06 114.93 112.77 1cey h MET 17 Ca -0.00 0.02 0.00 0.00 -3.44 0.00 0.00 59.70 56.28 1cey h MET 17 Cb 0.89 0.07 0.00 0.00 -0.55 0.00 0.00 31.60 32.01 1cey h MET 17 CO 0.02 -0.02 0.03 0.54 0.14 0.00 0.00 176.91 177.61 1cey n ARG 18 N -4.98 0.00 0.07 0.39 5.12 -1.24 -0.97 116.66 115.04 1cey n ARG 18 Ca -0.06 0.38 -0.19 0.00 -1.93 0.00 0.00 57.85 56.05 1cey n ARG 18 Cb 0.21 -1.53 -0.10 0.00 -1.16 0.00 0.00 32.46 29.89 1cey n ARG 18 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 1cey h ARG 19 N 0.00 0.57 0.51 5.56 9.65 -1.50 -2.68 114.38 126.49 1cey h ARG 19 Ca 0.00 -0.67 -0.03 0.00 -1.10 0.00 0.00 59.98 58.18 1cey h ARG 19 Cb 0.05 0.20 0.01 0.00 -1.39 0.00 0.00 29.97 28.84 1cey h ARG 19 CO 0.00 1.27 -0.25 0.82 2.80 0.00 0.00 179.97 184.62 1cey h ILE 20 N 0.29 0.48 -0.99 1.20 2.04 -1.12 -2.95 117.51 116.46 1cey h ILE 20 Ca -0.13 -0.15 0.06 0.00 1.00 0.00 0.00 64.86 65.63 1cey h ILE 20 Cb 1.75 0.55 -0.06 0.00 -0.74 0.00 0.00 36.82 38.31 1cey h ILE 20 CO 0.20 0.03 0.64 -0.37 0.00 0.00 0.00 178.15 178.65 1cey h VAL 21 N -0.78 1.11 -0.64 1.67 -1.51 -1.66 -2.26 116.25 112.19 1cey h VAL 21 Ca -0.07 -0.41 0.11 0.00 -1.23 0.00 0.00 66.70 65.11 1cey h VAL 21 Cb 0.57 -0.18 -0.12 0.00 -2.13 0.00 0.00 31.29 29.42 1cey h VAL 21 CO 0.12 0.22 -0.31 0.03 -1.23 0.00 0.00 177.57 176.39 1cey h ARG 22 N 1.19 -0.12 0.59 5.19 3.08 -1.30 0.11 114.38 123.13 1cey h ARG 22 Ca 0.42 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.45 1cey h ARG 22 Cb 0.11 0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.19 1cey h ARG 22 CO -0.16 -0.08 -0.29 -0.97 -1.07 0.00 0.00 179.97 177.41 1cey h ASN 23 N -0.13 -0.68 -0.90 7.04 -1.24 -1.44 -2.68 115.58 115.57 1cey h ASN 23 Ca 0.26 -0.02 0.10 0.00 0.71 0.00 0.00 56.30 57.35 1cey h ASN 23 Cb 0.55 0.17 -0.12 0.00 0.73 0.00 0.00 38.32 39.66 1cey h ASN 23 CO -0.71 -0.39 -0.47 -0.11 -1.29 0.00 0.00 177.43 174.45 1cey n LEU 24 N -5.38 -0.84 -0.05 0.34 0.00 -0.43 0.43 117.00 111.07 1cey n LEU 24 Ca -0.12 1.59 -0.07 0.00 0.00 0.00 0.00 56.01 57.40 1cey n LEU 24 Cb 0.34 -0.25 -0.01 0.00 0.00 0.00 0.00 43.42 43.50 1cey n LEU 24 CO 0.35 -1.34 0.77 -0.07 0.00 0.00 0.00 177.39 177.10 1cey h LEU 25 N 0.00 -0.43 -1.00 -1.96 3.38 -0.80 -0.35 115.31 114.15 1cey h LEU 25 Ca 0.20 0.10 0.09 0.00 0.09 0.00 0.00 57.88 58.36 1cey h LEU 25 Cb 0.42 0.24 -0.08 0.00 0.09 0.00 0.00 40.66 41.33 1cey h LEU 25 CO -0.86 -0.17 0.64 0.11 0.09 0.00 0.00 178.44 178.25 1cey h LYS 26 N -0.10 1.06 -0.93 1.13 1.57 0.33 -0.35 116.57 119.28 1cey h LYS 26 Ca 0.13 -0.06 0.16 0.00 -1.87 0.00 0.00 60.65 59.01 1cey h LYS 26 Cb 0.30 -0.24 -0.10 0.00 0.08 0.00 0.00 32.23 32.28 1cey h LYS 26 CO -0.31 0.70 0.52 1.49 -0.57 0.00 0.00 179.45 181.28 1cey h GLU 27 N 1.09 0.69 0.28 3.15 4.81 0.15 -2.76 114.58 121.98 1cey h GLU 27 Ca 0.46 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.64 1cey h GLU 27 Cb 0.31 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1cey h GLU 27 CO -0.22 0.46 -0.13 -0.07 -0.73 0.00 0.00 179.01 178.32 1cey h LEU 28 N 0.71 -0.32 0.00 1.64 3.38 -0.75 -3.48 115.31 116.50 1cey h LEU 28 Ca 0.51 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.49 1cey h LEU 28 Cb 0.73 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1cey h LEU 28 CO -0.36 0.05 0.00 0.61 0.09 0.00 0.00 178.44 178.83 1cey n GLY 29 N 0.70 -1.52 3.26 0.83 0.00 -0.62 -5.14 105.19 102.70 1cey n GLY 29 Ca -0.05 0.56 -0.13 0.00 0.00 0.00 0.00 46.02 46.40 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 -0.29 -0.44 1.61 0.08 -1.20 -4.24 117.98 113.50 1cey s PHE 30 Ca 0.00 0.60 0.07 0.00 0.12 0.00 0.00 56.93 57.72 1cey s PHE 30 Cb 0.00 0.13 0.26 0.00 -0.57 0.00 0.00 43.02 42.84 1cey s PHE 30 CO 0.00 -0.32 0.75 -1.71 -0.10 0.00 0.00 175.22 173.84 1cey n ASN 31 N 1.93 -1.25 -3.13 1.36 2.85 -0.35 -3.96 115.26 112.70 1cey n ASN 31 Ca -0.18 -3.07 0.06 0.00 -0.11 0.00 0.00 54.58 51.28 1cey n ASN 31 Cb 0.57 0.61 0.00 0.00 1.24 0.00 0.00 39.78 42.20 1cey n ASN 31 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 1cey s ASN 32 N -1.52 -0.26 -0.01 1.20 3.04 -1.26 -4.81 114.94 111.32 1cey s ASN 32 Ca 0.33 0.02 -0.15 0.00 0.04 0.00 0.00 52.86 53.10 1cey s ASN 32 Cb 0.22 1.13 0.02 0.00 -1.54 0.00 0.00 41.25 41.09 1cey s ASN 32 CO -0.16 -0.05 0.33 0.54 -3.04 0.00 0.00 177.10 174.72 1cey s VAL 33 N 2.93 0.06 0.00 -5.21 0.11 -1.26 -1.46 120.40 115.56 1cey s VAL 33 Ca 0.29 -0.48 0.00 0.00 -2.93 0.00 0.00 61.98 58.86 1cey s VAL 33 Cb -0.01 -0.69 0.00 0.00 -1.53 0.00 0.00 36.38 34.16 1cey s VAL 33 CO -0.22 -0.27 0.00 -0.62 -3.33 0.00 0.00 175.10 170.66 1cey n GLU 34 N 1.14 1.83 -4.07 1.54 -0.58 -0.75 -4.95 120.64 114.80 1cey n GLU 34 Ca -0.21 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.45 1cey n GLU 34 Cb 0.57 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 31.34 1cey n GLU 34 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1cey s GLU 35 N -1.72 0.77 0.00 3.49 2.02 -1.26 -2.66 118.70 119.34 1cey s GLU 35 Ca 0.00 -1.25 0.00 0.00 0.02 0.00 0.00 54.97 53.74 1cey s GLU 35 Cb 0.00 0.25 0.00 0.00 0.10 0.00 0.00 34.13 34.48 1cey s GLU 35 CO 0.00 -0.20 0.00 0.00 0.02 0.00 0.00 175.26 175.08 1cey n ALA 36 N 0.00 0.00 -0.42 5.21 0.00 -0.79 -4.92 120.51 119.59 1cey n ALA 36 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1cey n ALA 36 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 1cey n ALA 36 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1cey n GLU 37 N 0.00 0.36 -3.48 0.00 1.02 -1.26 -2.82 120.64 114.47 1cey n GLU 37 Ca 0.00 -0.18 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 1cey n GLU 37 Cb 0.00 -0.62 0.00 0.00 -0.02 0.00 0.00 31.44 30.80 1cey n GLU 37 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1cey n ASP 38 N -0.10 0.00 -0.05 1.62 5.68 -1.26 -4.63 116.55 117.80 1cey n ASP 38 Ca 0.00 0.00 -0.09 0.00 -0.50 0.00 0.00 54.79 54.20 1cey n ASP 38 Cb 0.11 0.00 0.07 0.00 -1.14 0.00 0.00 41.12 40.15 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 0.77 1.00 6.12 0.00 -1.96 -0.30 103.07 108.69 1cey h GLY 39 Ca 0.00 -0.75 -0.07 0.00 0.00 0.00 0.00 47.33 46.51 1cey h GLY 39 CO 0.00 0.68 0.03 -0.39 0.00 0.00 0.00 176.54 176.86 1cey h VAL 40 N 0.59 1.26 0.03 4.60 -1.51 -1.96 0.27 116.25 119.53 1cey h VAL 40 Ca 0.06 -1.02 -0.00 0.00 -1.23 0.00 0.00 66.70 64.51 1cey h VAL 40 Cb 0.89 0.95 0.00 0.00 -2.13 0.00 0.00 31.29 31.00 1cey h VAL 40 CO 0.08 0.36 -0.02 -0.78 -1.23 0.00 0.00 177.57 175.98 1cey h ASP 41 N 0.72 -0.04 0.36 4.19 1.82 -1.89 -2.38 116.42 119.20 1cey h ASP 41 Ca 0.14 -0.34 -0.00 0.00 -0.39 0.00 0.00 57.03 56.44 1cey h ASP 41 Cb 0.47 0.01 -0.02 0.00 0.68 0.00 0.00 39.33 40.47 1cey h ASP 41 CO 0.02 0.32 -0.32 0.00 -1.61 0.00 0.00 179.24 177.65 1cey h ALA 42 N 0.54 -0.70 -0.57 -0.78 0.00 -0.95 0.26 119.26 117.07 1cey h ALA 42 Ca -0.00 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 54.89 1cey h ALA 42 Cb 0.37 0.44 -0.11 0.00 0.00 0.00 0.00 17.79 18.49 1cey h ALA 42 CO 0.01 -0.92 -0.32 1.25 0.00 0.00 0.00 179.25 179.27 1cey h LEU 43 N -0.69 -1.10 -0.76 0.00 7.12 -0.48 2.38 115.31 121.77 1cey h LEU 43 Ca -0.02 0.22 -0.01 0.00 0.13 0.00 0.00 57.88 58.19 1cey h LEU 43 Cb 0.61 0.55 -0.04 0.00 -0.53 0.00 0.00 40.66 41.26 1cey h LEU 43 CO -0.04 -0.30 0.44 0.78 -0.13 0.00 0.00 178.44 179.19 1cey h ASN 44 N -0.16 0.94 1.15 1.25 2.35 -1.06 -2.04 115.58 118.01 1cey h ASN 44 Ca 0.23 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1cey h ASN 44 Cb 0.54 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.68 1cey h ASN 44 CO -0.66 0.75 -0.07 0.29 -1.65 0.00 0.00 177.43 176.09 1cey n LYS 45 N -4.47 0.12 0.00 0.81 4.76 0.89 -3.24 118.16 117.03 1cey n LYS 45 Ca 0.07 0.09 0.05 0.00 -2.87 0.00 0.00 58.31 55.65 1cey n LYS 45 Cb 0.08 -1.64 0.27 0.00 -1.84 0.00 0.00 35.03 31.90 1cey n LYS 45 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1cey n LEU 46 N -1.85 0.00 -0.45 -0.35 7.99 0.78 -0.79 117.00 122.32 1cey n LEU 46 Ca 0.06 0.22 0.12 0.00 -0.01 0.00 0.00 56.01 56.40 1cey n LEU 46 Cb 0.38 -0.22 0.11 0.00 -0.11 0.00 0.00 43.42 43.58 1cey n LEU 46 CO 0.29 -0.15 0.42 1.67 -1.51 0.00 0.00 177.39 178.11 1cey n GLN 47 N -1.22 1.17 0.00 3.23 7.27 -1.20 -4.00 117.38 122.63 1cey n GLN 47 Ca 0.05 -0.91 0.00 0.00 0.07 0.00 0.00 57.00 56.22 1cey n GLN 47 Cb 0.07 -1.48 0.00 0.00 2.41 0.00 0.00 30.24 31.24 1cey n GLN 47 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1cey n ALA 48 N -0.12 -0.11 -1.36 1.69 0.00 0.03 -4.47 120.51 116.17 1cey n ALA 48 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1cey n ALA 48 Cb 0.44 0.33 0.00 0.00 0.00 0.00 0.00 19.45 20.22 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 -0.97 -1.45 0.98 0.00 0.00 -1.26 -5.07 105.19 97.41 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 -1.45 3.60 -0.02 0.00 -1.26 -4.92 105.19 101.14 1cey n GLY 50 Ca 0.00 -0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.18 1.70 -1.06 1.61 2.02 -1.26 -4.77 117.35 115.41 1cey s TYR 51 Ca 0.00 0.62 0.00 0.00 -0.37 0.00 0.00 57.07 57.32 1cey s TYR 51 Cb 0.00 -4.09 0.00 0.00 -0.40 0.00 0.00 41.96 37.47 1cey s TYR 51 CO 0.00 -3.11 0.65 0.41 -1.57 0.00 0.00 175.55 171.93 1cey n GLY 52 N 5.48 -0.21 3.59 0.71 0.00 -0.99 -4.50 105.19 109.27 1cey n GLY 52 Ca 0.24 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.30 -0.58 -0.11 1.61 5.36 -0.61 -3.92 117.98 117.44 1cey s PHE 53 Ca 0.00 1.22 -0.03 0.00 -0.96 0.00 0.00 56.93 57.16 1cey s PHE 53 Cb 0.00 0.37 0.04 0.00 -0.34 0.00 0.00 43.02 43.10 1cey s PHE 53 CO 0.00 -0.40 0.06 0.08 -1.46 0.00 0.00 175.22 173.51 1cey s VAL 54 N -0.43 0.04 -0.50 3.12 1.01 -0.78 -1.37 120.40 121.49 1cey s VAL 54 Ca -0.03 0.05 -0.13 0.00 0.00 0.00 0.00 61.98 61.88 1cey s VAL 54 Cb -0.03 -0.46 0.11 0.00 0.00 0.00 0.00 36.38 36.01 1cey s VAL 54 CO 0.02 -0.03 0.41 0.27 0.00 0.00 0.00 175.10 175.78 1cey s ILE 55 N 2.10 4.80 -0.00 2.22 -4.36 -0.29 -2.05 121.20 123.62 1cey s ILE 55 Ca 0.03 -1.53 -0.00 0.00 -0.26 0.00 0.00 60.65 58.89 1cey s ILE 55 Cb -0.14 -4.06 -0.04 0.00 1.25 0.00 0.00 42.46 39.47 1cey s ILE 55 CO -0.06 -0.77 0.09 -0.44 0.24 0.00 0.00 174.94 174.00 1cey s SER 56 N 3.03 5.73 0.00 4.36 0.01 -1.25 -2.61 113.70 122.97 1cey s SER 56 Ca 0.04 0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.46 1cey s SER 56 Cb -0.27 -1.66 0.00 0.00 0.21 0.00 0.00 66.02 64.30 1cey s SER 56 CO 0.02 0.27 0.00 -0.90 0.41 0.00 0.00 173.24 173.04 1cey n ASP 57 N 1.14 0.00 0.00 2.44 5.68 -1.22 -1.04 116.55 123.55 1cey n ASP 57 Ca -0.13 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.16 1cey n ASP 57 Cb 0.53 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.51 1cey n ASP 57 CO 0.00 0.00 0.00 1.87 -1.33 0.00 0.00 177.20 177.74 1cey n TRP 58 N 0.00 0.00 -2.82 2.11 -0.00 -1.25 -3.60 117.44 111.87 1cey n TRP 58 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.50 57.08 1cey n TRP 58 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 31.31 31.27 1cey n TRP 58 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 1cey s ASN 59 N 2.00 6.95 0.00 5.87 0.01 -1.26 -3.69 114.94 124.82 1cey s ASN 59 Ca 0.00 1.18 0.00 0.00 -0.71 0.00 0.00 52.86 53.33 1cey s ASN 59 Cb 0.00 -2.47 0.00 0.00 0.41 0.00 0.00 41.25 39.19 1cey s ASN 59 CO 0.00 -0.52 0.00 0.23 -1.51 0.00 0.00 177.10 175.30 1cey n MET 60 N 5.82 0.00 0.19 -0.60 2.81 -1.26 -5.02 117.12 119.06 1cey n MET 60 Ca 0.07 0.00 -0.08 0.00 -1.81 0.00 0.00 57.70 55.88 1cey n MET 60 Cb 0.48 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.95 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 -0.48 0.00 0.03 0.14 -1.89 -3.48 132.00 126.31 1cey h PRO 61 Ca 0.00 0.03 0.00 0.00 0.14 0.00 0.00 66.00 66.17 1cey h PRO 61 Cb 0.00 0.11 0.00 0.00 0.14 0.00 0.00 31.00 31.25 1cey h PRO 61 CO 0.00 -0.32 0.00 0.09 0.14 0.00 0.00 178.00 177.91 1cey n ASN 62 N -3.73 0.00 0.00 1.44 3.02 -1.26 -5.09 115.26 109.64 1cey n ASN 62 Ca -0.06 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 1cey n ASN 62 Cb 0.20 0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.46 1cey n ASN 62 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1cey n MET 63 N -1.53 0.00 0.00 3.52 1.56 -1.26 -5.06 117.12 114.35 1cey n MET 63 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 1cey n MET 63 Cb 0.00 -0.03 0.00 0.00 2.15 0.00 0.00 33.22 35.34 1cey n MET 63 CO 0.00 0.00 0.00 -0.40 -0.73 0.00 0.00 175.97 174.84 1cey n ASP 64 N -0.19 0.00 -0.37 6.12 5.68 -1.26 -4.54 116.55 121.99 1cey n ASP 64 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1cey n ASP 64 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1cey n ASP 64 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cey n GLY 65 N -0.05 0.52 0.08 6.12 0.00 -1.24 -3.47 105.19 107.15 1cey n GLY 65 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 0.29 -0.06 0.00 0.99 6.46 -1.93 -2.81 115.31 118.25 1cey h LEU 66 Ca 0.00 -0.31 0.00 0.00 -0.12 0.00 0.00 57.88 57.45 1cey h LEU 66 Cb 0.22 0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.17 1cey h LEU 66 CO 0.00 0.57 0.11 1.21 -0.62 0.00 0.00 178.44 179.71 1cey n GLU 67 N -4.78 0.00 -0.06 1.25 2.13 -1.23 -1.13 120.64 116.82 1cey n GLU 67 Ca -0.04 0.38 -0.05 0.00 0.66 0.00 0.00 57.16 58.11 1cey n GLU 67 Cb 0.18 -1.61 -0.04 0.00 0.27 0.00 0.00 31.44 30.24 1cey n GLU 67 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1cey h LEU 68 N 0.00 0.00 -0.95 4.31 5.85 -1.72 -2.46 115.31 120.35 1cey h LEU 68 Ca 0.00 -0.24 -0.09 0.00 0.84 0.00 0.00 57.88 58.39 1cey h LEU 68 Cb 0.22 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1cey h LEU 68 CO 0.00 0.69 -0.21 0.17 -0.34 0.00 0.00 178.44 178.75 1cey h LEU 69 N -1.00 0.52 0.60 2.25 8.10 -0.97 -0.34 115.31 124.47 1cey h LEU 69 Ca -0.02 -0.17 -0.03 0.00 0.11 0.00 0.00 57.88 57.78 1cey h LEU 69 Cb 0.35 -0.14 0.01 0.00 -0.44 0.00 0.00 40.66 40.43 1cey h LEU 69 CO -0.01 0.74 -0.29 0.50 -4.11 0.00 0.00 178.44 175.27 1cey h LYS 70 N 0.47 -0.78 -0.86 0.17 3.64 -1.27 -2.34 116.57 115.59 1cey h LYS 70 Ca 0.07 0.05 0.13 0.00 -1.27 0.00 0.00 60.65 59.63 1cey h LYS 70 Cb 0.63 0.18 -0.06 0.00 -0.41 0.00 0.00 32.23 32.56 1cey h LYS 70 CO 0.04 -0.49 0.56 1.15 -2.27 0.00 0.00 179.45 178.44 1cey h THR 71 N -1.16 0.88 -0.90 1.00 2.02 -1.43 0.15 112.91 113.47 1cey h THR 71 Ca -0.08 -0.24 0.06 0.00 0.77 0.00 0.00 66.41 66.92 1cey h THR 71 Cb 0.65 0.10 -0.06 0.00 -1.74 0.00 0.00 68.15 67.11 1cey h THR 71 CO 0.14 0.13 0.59 0.40 0.37 0.00 0.00 175.52 177.14 1cey h ILE 72 N 0.71 1.07 0.00 3.11 2.04 -0.93 0.35 117.51 123.86 1cey h ILE 72 Ca 0.42 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.93 1cey h ILE 72 Cb 0.62 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1cey h ILE 72 CO -0.18 0.19 0.00 -1.14 0.00 0.00 0.00 178.15 177.02 1cey n ARG 73 N -4.49 0.08 0.17 2.37 3.00 0.51 -2.02 116.66 116.28 1cey n ARG 73 Ca 0.14 0.26 0.03 0.00 -0.00 0.00 0.00 57.85 58.28 1cey n ARG 73 Cb 0.20 -1.50 0.29 0.00 0.00 0.00 0.00 32.46 31.45 1cey n ARG 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1cey h ALA 74 N 2.39 1.02 -2.26 5.13 0.00 -0.25 -3.45 119.26 121.83 1cey h ALA 74 Ca 0.00 -0.41 -0.17 0.00 0.00 0.00 0.00 54.91 54.33 1cey h ALA 74 Cb 0.12 -0.07 0.10 0.00 0.00 0.00 0.00 17.79 17.94 1cey h ALA 74 CO 0.00 0.56 -0.08 -0.25 0.00 0.00 0.00 179.25 179.47 1cey n ASP 75 N -3.65 -2.91 -2.25 0.00 8.00 -0.86 -4.97 116.55 109.90 1cey n ASP 75 Ca -0.01 -0.42 0.00 0.00 0.71 0.00 0.00 54.79 55.07 1cey n ASP 75 Cb 0.53 -0.65 0.00 0.00 -0.02 0.00 0.00 41.12 40.98 1cey n ASP 75 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cey n GLY 76 N -1.70 -2.24 0.06 0.44 0.00 -1.26 -4.50 105.19 95.99 1cey n GLY 76 Ca 0.07 -1.06 0.12 0.00 0.00 0.00 0.00 46.02 45.15 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 -3.00 1.99 1.37 4.61 0.00 -1.26 -2.39 120.51 121.83 1cey n ALA 77 Ca 0.00 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.55 1cey n ALA 77 Cb 0.00 -1.40 0.45 0.00 0.00 0.00 0.00 19.45 18.51 1cey n ALA 77 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1cey n MET 78 N -1.90 1.25 0.00 0.00 0.00 -1.26 -4.98 117.12 110.23 1cey n MET 78 Ca 0.05 -0.72 0.00 0.00 0.00 0.00 0.00 57.70 57.02 1cey n MET 78 Cb 0.30 -1.48 0.00 0.00 0.00 0.00 0.00 33.22 32.03 1cey n MET 78 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1cey n SER 79 N -0.25 0.00 -2.87 6.12 7.64 -1.01 -3.24 113.62 120.01 1cey n SER 79 Ca 0.16 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.92 1cey n SER 79 Cb 0.35 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.60 1cey n SER 79 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1cey n ALA 80 N 11.08 1.13 -1.45 -0.43 0.00 -1.26 -4.55 120.51 125.04 1cey n ALA 80 Ca 0.00 -2.35 0.09 0.00 0.00 0.00 0.00 53.44 51.17 1cey n ALA 80 Cb 0.00 -1.02 -0.05 0.00 0.00 0.00 0.00 19.45 18.38 1cey n ALA 80 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1cey n LEU 81 N 0.12 -1.21 -4.63 0.00 4.77 -1.20 -4.79 117.00 110.06 1cey n LEU 81 Ca 0.12 2.38 -0.43 0.00 -0.03 0.00 0.00 56.01 58.04 1cey n LEU 81 Cb 0.73 -2.99 -0.01 0.00 -2.33 0.00 0.00 43.42 38.82 1cey n LEU 81 CO 0.11 -1.38 0.70 -2.65 -1.33 0.00 0.00 177.39 172.84 1cey n PRO 82 N -3.47 1.65 -3.89 3.23 -0.01 -1.25 -4.88 135.00 126.37 1cey n PRO 82 Ca -0.05 0.58 -0.28 0.00 -0.01 0.00 0.00 63.50 63.75 1cey n PRO 82 Cb 0.54 -2.05 -0.17 0.00 -0.01 0.00 0.00 33.50 31.81 1cey n PRO 82 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 175.50 175.57 1cey s VAL 83 N -1.10 1.07 -0.41 -1.45 1.01 -1.26 -1.87 120.40 116.39 1cey s VAL 83 Ca 0.58 -0.51 -0.12 0.00 0.00 0.00 0.00 61.98 61.93 1cey s VAL 83 Cb -0.63 -1.20 0.04 0.00 0.00 0.00 0.00 36.38 34.59 1cey s VAL 83 CO 0.61 0.21 0.27 -0.22 0.00 0.00 0.00 175.10 175.96 1cey s LEU 84 N 1.66 5.02 0.31 3.92 2.96 -0.87 -0.42 118.68 131.27 1cey s LEU 84 Ca 0.02 -1.11 -0.29 0.00 -0.22 0.00 0.00 54.13 52.54 1cey s LEU 84 Cb -0.14 -2.07 -0.10 0.00 0.50 0.00 0.00 46.19 44.37 1cey s LEU 84 CO -0.08 -0.47 1.34 -0.32 -1.32 0.00 0.00 176.35 175.50 1cey s MET 85 N 1.58 4.33 -0.04 1.98 -2.45 -1.03 -3.81 119.30 119.86 1cey s MET 85 Ca 0.03 2.23 0.05 0.00 -1.25 0.00 0.00 55.69 56.75 1cey s MET 85 Cb -0.21 -3.09 -0.02 0.00 1.25 0.00 0.00 34.83 32.77 1cey s MET 85 CO 0.07 -0.25 -0.19 0.08 1.05 0.00 0.00 175.02 175.78 1cey s VAL 86 N -0.81 2.68 0.19 10.11 1.01 -0.21 -2.18 120.40 131.19 1cey s VAL 86 Ca 0.52 -0.87 -0.11 0.00 0.00 0.00 0.00 61.98 61.52 1cey s VAL 86 Cb -0.40 -2.01 -0.00 0.00 0.00 0.00 0.00 36.38 33.97 1cey s VAL 86 CO 0.50 0.59 0.37 0.28 0.00 0.00 0.00 175.10 176.83 1cey s THR 87 N -0.68 0.04 -0.21 3.92 -1.32 -1.09 -3.92 115.64 112.39 1cey s THR 87 Ca 0.11 -1.26 -0.10 0.00 -1.21 0.00 0.00 61.69 59.22 1cey s THR 87 Cb -0.10 -1.85 -0.05 0.00 -1.51 0.00 0.00 72.50 68.99 1cey s THR 87 CO -0.00 -0.20 0.13 0.00 -2.21 0.00 0.00 174.62 172.34 1cey s ALA 88 N -3.96 3.65 -0.14 11.08 0.00 -1.26 0.19 121.76 131.32 1cey s ALA 88 Ca 0.17 -0.75 -0.03 0.00 0.00 0.00 0.00 51.96 51.35 1cey s ALA 88 Cb 0.02 -2.20 0.01 0.00 0.00 0.00 0.00 23.12 20.95 1cey s ALA 88 CO 0.01 0.06 0.06 -1.91 0.00 0.00 0.00 175.76 173.98 1cey n GLU 89 N 3.73 -2.43 -1.51 0.00 2.13 -1.23 -4.37 120.64 116.96 1cey n GLU 89 Ca -0.16 2.09 -0.30 0.00 0.66 0.00 0.00 57.16 59.46 1cey n GLU 89 Cb 0.52 -3.23 -0.16 0.00 0.27 0.00 0.00 31.44 28.84 1cey n GLU 89 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1cey n ALA 90 N 1.44 0.68 1.09 4.31 0.00 -1.26 -4.66 120.51 122.11 1cey n ALA 90 Ca -0.09 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.64 1cey n ALA 90 Cb 0.29 -2.56 0.00 0.00 0.00 0.00 0.00 19.45 17.18 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 7.43 0.83 0.00 0.00 4.81 -1.26 -4.87 118.16 125.09 1cey n LYS 91 Ca 0.61 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 58.05 1cey n LYS 91 Cb 0.18 -1.28 0.00 0.00 0.02 0.00 0.00 35.03 33.95 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 -0.10 0.00 -0.18 1.64 4.81 -1.26 -4.24 118.16 118.83 1cey n LYS 92 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.42 1cey n LYS 92 Cb 0.14 0.00 0.06 0.00 0.02 0.00 0.00 35.03 35.25 1cey n LYS 92 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1cey h GLU 93 N 0.00 0.04 0.24 1.64 4.22 -1.97 0.22 114.58 118.97 1cey h GLU 93 Ca 0.00 -0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.43 1cey h GLU 93 Cb 0.00 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1cey h GLU 93 CO 0.00 0.03 -0.12 -2.95 -2.18 0.00 0.00 179.01 173.79 1cey h ASN 94 N 0.05 -0.28 -0.93 1.04 7.08 -1.95 0.60 115.58 121.19 1cey h ASN 94 Ca 0.27 0.01 0.26 0.00 -3.08 0.00 0.00 56.30 53.76 1cey h ASN 94 Cb 0.42 0.07 -0.14 0.00 -2.08 0.00 0.00 38.32 36.59 1cey h ASN 94 CO -0.52 -0.16 0.37 -0.29 -2.08 0.00 0.00 177.43 174.75 1cey h ILE 95 N -0.41 0.33 0.00 6.14 2.10 -1.87 0.57 117.51 124.38 1cey h ILE 95 Ca -0.03 -0.09 -0.18 0.00 1.08 0.00 0.00 64.86 65.63 1cey h ILE 95 Cb 0.25 0.03 -0.02 0.00 -1.09 0.00 0.00 36.82 35.99 1cey h ILE 95 CO 0.05 0.05 -0.84 0.40 -1.08 0.00 0.00 178.15 176.74 1cey h ILE 96 N 0.27 1.55 -0.26 2.19 2.04 -0.54 -2.52 117.51 120.24 1cey h ILE 96 Ca 0.62 -2.72 0.00 0.00 1.00 0.00 0.00 64.86 63.75 1cey h ILE 96 Cb 1.29 2.49 -0.01 0.00 -0.74 0.00 0.00 36.82 39.85 1cey h ILE 96 CO -0.62 0.78 0.17 0.00 0.00 0.00 0.00 178.15 178.48 1cey h ALA 97 N 1.10 0.33 0.20 1.87 0.00 0.57 1.09 119.26 124.43 1cey h ALA 97 Ca -0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1cey h ALA 97 Cb 1.47 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1cey h ALA 97 CO 0.12 -0.20 -0.10 0.00 0.00 0.00 0.00 179.25 179.07 1cey h ALA 98 N 1.09 -0.27 -0.15 0.00 0.00 -1.35 -2.83 119.26 115.75 1cey h ALA 98 Ca 0.10 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.84 1cey h ALA 98 Cb -0.04 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1cey h ALA 98 CO -0.02 -0.42 0.15 0.00 0.00 0.00 0.00 179.25 178.96 1cey h ALA 99 N -0.10 1.82 -0.75 0.00 0.00 -1.33 0.49 119.26 119.39 1cey h ALA 99 Ca -0.03 -0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.06 1cey h ALA 99 Cb 0.50 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1cey h ALA 99 CO 0.05 -0.23 0.52 0.37 0.00 0.00 0.00 179.25 179.95 1cey h GLN 100 N 0.00 0.22 0.00 0.00 4.15 0.15 2.80 115.11 122.43 1cey h GLN 100 Ca 0.07 -0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.39 1cey h GLN 100 Cb 0.38 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.00 1cey h GLN 100 CO -0.00 0.14 -0.92 0.00 -1.93 0.00 0.00 178.83 176.13 1cey h ALA 101 N 1.65 0.66 -4.35 3.38 0.00 -0.13 -3.49 119.26 116.96 1cey h ALA 101 Ca 0.37 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1cey h ALA 101 Cb 1.12 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1cey h ALA 101 CO -0.08 0.50 -0.16 0.41 0.00 0.00 0.00 179.25 179.92 1cey n GLY 102 N 1.26 -0.96 0.00 0.00 0.00 0.94 -4.94 105.19 101.48 1cey n GLY 102 Ca -0.03 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 -0.88 0.00 -0.08 4.61 0.00 -1.26 -4.93 120.51 117.98 1cey n ALA 103 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.25 1cey n ALA 103 Cb 0.38 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.70 1cey n ALA 103 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1cey n SER 104 N 0.00 1.95 0.00 0.00 7.64 0.45 -4.85 113.62 118.81 1cey n SER 104 Ca 0.00 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.21 1cey n SER 104 Cb 0.00 -0.90 0.00 0.00 -1.01 0.00 0.00 64.21 62.30 1cey n SER 104 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cey n GLY 105 N 1.61 -0.53 2.83 0.23 0.00 -1.25 -5.00 105.19 103.08 1cey n GLY 105 Ca -0.35 -0.81 -0.16 0.00 0.00 0.00 0.00 46.02 44.70 1cey n GLY 105 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1cey s TYR 106 N -3.03 0.25 -0.12 1.61 5.04 -1.26 -2.45 117.35 117.38 1cey s TYR 106 Ca 0.00 0.01 0.00 0.00 -2.44 0.00 0.00 57.07 54.65 1cey s TYR 106 Cb 0.00 -0.33 0.02 0.00 0.35 0.00 0.00 41.96 42.00 1cey s TYR 106 CO 0.00 -0.10 -0.10 0.54 -1.34 0.00 0.00 175.55 174.55 1cey s VAL 107 N 0.84 1.23 0.72 3.14 0.11 -0.93 -5.00 120.40 120.51 1cey s VAL 107 Ca -0.08 -0.43 -0.12 0.00 -2.93 0.00 0.00 61.98 58.42 1cey s VAL 107 Cb -0.11 -1.20 0.03 0.00 -1.53 0.00 0.00 36.38 33.57 1cey s VAL 107 CO -0.02 0.40 1.09 0.54 -3.33 0.00 0.00 175.10 173.79 1cey s VAL 108 N 1.53 3.36 0.15 2.04 0.11 -1.26 -2.66 120.40 123.67 1cey s VAL 108 Ca 0.03 0.52 0.04 0.00 -2.93 0.00 0.00 61.98 59.64 1cey s VAL 108 Cb -0.13 -3.04 -0.04 0.00 -1.53 0.00 0.00 36.38 31.64 1cey s VAL 108 CO -0.08 -0.50 -0.09 -1.59 -3.33 0.00 0.00 175.10 169.50 1cey s LYS 109 N -4.58 1.08 -0.01 1.54 -2.85 0.49 -3.72 119.74 111.69 1cey s LYS 109 Ca 0.63 -1.47 -0.30 0.00 -1.00 0.00 0.00 55.97 53.83 1cey s LYS 109 Cb -0.18 -0.61 -0.05 0.00 -2.06 0.00 0.00 37.83 34.93 1cey s LYS 109 CO 0.50 0.06 1.27 -1.25 0.10 0.00 0.00 175.35 176.02 1cey s PRO 110 N -3.76 4.35 0.40 1.78 0.05 -1.26 -3.51 135.00 133.05 1cey s PRO 110 Ca 0.17 1.79 -0.02 0.00 0.05 0.00 0.00 61.00 63.00 1cey s PRO 110 Cb 0.03 -3.51 -0.03 0.00 0.05 0.00 0.00 34.50 31.03 1cey s PRO 110 CO 0.01 -0.45 0.65 -0.59 0.05 0.00 0.00 177.00 176.67 1cey s PHE 111 N 2.00 3.53 0.18 0.56 -0.12 -1.24 -5.08 117.98 117.80 1cey s PHE 111 Ca 0.59 0.55 -0.07 0.00 -0.05 0.00 0.00 56.93 57.95 1cey s PHE 111 Cb -0.28 -2.07 -0.06 0.00 -0.63 0.00 0.00 43.02 39.98 1cey s PHE 111 CO 0.25 -0.04 0.45 0.99 -0.05 0.00 0.00 175.22 176.82 1cey s THR 112 N -2.49 5.06 0.42 -4.49 2.01 -1.26 -4.83 115.64 110.06 1cey s THR 112 Ca 0.43 0.24 0.20 0.00 0.31 0.00 0.00 61.69 62.88 1cey s THR 112 Cb -0.10 -3.62 0.41 0.00 0.01 0.00 0.00 72.50 69.20 1cey s THR 112 CO 0.40 -0.00 1.81 0.00 -0.69 0.00 0.00 174.62 176.13 1cey h ALA 113 N 2.72 2.33 -0.09 7.40 0.00 -1.98 1.72 119.26 131.37 1cey h ALA 113 Ca -0.46 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.39 1cey h ALA 113 Cb 1.17 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1cey h ALA 113 CO 0.71 -0.69 -0.36 0.00 0.00 0.00 0.00 179.25 178.91 1cey h ALA 114 N 1.59 1.24 0.07 0.00 0.00 -1.97 0.21 119.26 120.39 1cey h ALA 114 Ca 0.54 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1cey h ALA 114 Cb 1.48 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1cey h ALA 114 CO -0.22 0.53 -0.03 1.15 0.00 0.00 0.00 179.25 180.68 1cey h THR 115 N 0.15 0.00 -1.08 0.00 2.02 0.21 -0.04 112.91 114.18 1cey h THR 115 Ca 0.02 -0.12 0.30 0.00 0.77 0.00 0.00 66.41 67.38 1cey h THR 115 Cb 0.71 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 67.02 1cey h THR 115 CO 0.05 0.00 0.69 0.25 0.37 0.00 0.00 175.52 176.88 1cey h LEU 116 N -0.21 0.43 0.49 2.58 5.85 -1.11 -0.45 115.31 122.89 1cey h LEU 116 Ca -0.01 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1cey h LEU 116 Cb 0.07 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.15 1cey h LEU 116 CO 0.02 0.03 -0.24 -0.08 -0.34 0.00 0.00 178.44 177.83 1cey h GLU 117 N 0.35 -0.64 -0.71 1.25 4.57 -0.58 0.05 114.58 118.87 1cey h GLU 117 Ca 0.64 0.04 0.14 0.00 -1.18 0.00 0.00 59.36 59.00 1cey h GLU 117 Cb 1.68 0.14 -0.13 0.00 -0.16 0.00 0.00 28.75 30.28 1cey h GLU 117 CO -0.34 -0.42 -0.22 1.49 -1.18 0.00 0.00 179.01 178.33 1cey h GLU 118 N -0.72 -0.03 0.12 1.92 4.81 0.08 0.24 114.58 121.00 1cey h GLU 118 Ca -0.07 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1cey h GLU 118 Cb 0.51 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.86 1cey h GLU 118 CO 0.11 -0.02 -0.25 -0.22 -0.73 0.00 0.00 179.01 177.89 1cey h LYS 119 N -0.04 -0.44 -0.61 1.92 1.63 -1.06 -2.15 116.57 115.82 1cey h LYS 119 Ca 0.33 0.03 0.07 0.00 -0.85 0.00 0.00 60.65 60.22 1cey h LYS 119 Cb 0.54 0.10 -0.06 0.00 -0.60 0.00 0.00 32.23 32.22 1cey h LYS 119 CO -0.75 -0.30 0.30 -0.07 -3.45 0.00 0.00 179.45 175.19 1cey h LEU 120 N -0.46 0.41 -0.00 5.20 3.38 0.88 -2.46 115.31 122.26 1cey h LEU 120 Ca 0.03 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1cey h LEU 120 Cb 0.49 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1cey h LEU 120 CO -0.15 0.26 -0.01 -1.13 0.09 0.00 0.00 178.44 177.51 1cey h ASN 121 N 0.56 -0.04 -0.81 -0.43 -0.73 0.04 0.42 115.58 114.58 1cey h ASN 121 Ca 0.29 0.00 0.24 0.00 1.87 0.00 0.00 56.30 58.70 1cey h ASN 121 Cb 0.24 0.01 -0.03 0.00 0.27 0.00 0.00 38.32 38.81 1cey h ASN 121 CO -0.21 -0.01 0.73 0.11 -0.37 0.00 0.00 177.43 177.67 1cey h LYS 122 N -0.01 0.00 0.20 6.67 1.57 -1.37 0.74 116.57 124.37 1cey h LYS 122 Ca 0.00 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.48 1cey h LYS 122 Cb 0.01 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.36 1cey h LYS 122 CO -0.01 0.00 -1.29 0.82 -0.57 0.00 0.00 179.45 178.39 1cey h ILE 123 N 0.00 1.32 0.00 1.86 2.04 -0.29 -3.29 117.51 119.15 1cey h ILE 123 Ca 0.39 -2.60 -0.04 0.00 1.00 0.00 0.00 64.86 63.61 1cey h ILE 123 Cb 1.83 2.97 -0.01 0.00 -0.74 0.00 0.00 36.82 40.88 1cey h ILE 123 CO -0.00 0.77 -0.19 -0.26 0.00 0.00 0.00 178.15 178.47 1cey h PHE 124 N 0.09 0.00 0.00 1.37 0.04 0.20 -2.41 116.94 116.23 1cey h PHE 124 Ca -0.22 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.55 1cey h PHE 124 Cb 2.00 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 40.15 1cey h PHE 124 CO 0.14 0.19 -0.00 0.93 -0.60 0.00 0.00 178.31 178.97 1cey h GLU 125 N 0.00 0.00 0.00 1.51 5.08 -1.27 1.10 114.58 121.00 1cey h GLU 125 Ca -0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.09 1cey h GLU 125 Cb 0.86 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.06 1cey h GLU 125 CO 0.03 0.00 -2.11 1.63 -1.00 0.00 0.00 179.01 177.56 1cey n LYS 126 N -3.14 0.67 0.05 2.33 4.76 -0.94 -4.06 118.16 117.82 1cey n LYS 126 Ca -0.02 0.03 0.12 0.00 -2.87 0.00 0.00 58.31 55.57 1cey n LYS 126 Cb 0.13 -1.59 0.30 0.00 -1.84 0.00 0.00 35.03 32.03 1cey n LYS 126 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1cey n LEU 127 N -2.72 0.57 -3.49 -0.35 7.94 -0.23 -4.98 117.00 113.75 1cey n LEU 127 Ca -0.23 0.29 -0.18 0.00 -1.11 0.00 0.00 56.01 54.78 1cey n LEU 127 Cb 1.00 -0.27 0.01 0.00 0.53 0.00 0.00 43.42 44.69 1cey n LEU 127 CO 0.44 -0.03 -0.06 0.61 -1.11 0.00 0.00 177.39 177.23 1cey n GLY 128 N 1.39 -1.11 0.48 -3.96 0.00 0.36 -5.05 105.19 97.31 1cey n GLY 128 Ca 0.05 0.68 0.14 0.00 0.00 0.00 0.00 46.02 46.89 1cey n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35