#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cg7 s VAL 2 N 0.00 1.65 -0.35 1.12 -7.23 -1.26 -5.08 120.40 109.25 1cg7 s VAL 2 Ca 0.00 -0.87 -0.05 0.00 -1.81 0.00 0.00 61.98 59.25 1cg7 s VAL 2 Cb 0.00 -1.38 0.19 0.00 0.56 0.00 0.00 36.38 35.75 1cg7 s VAL 2 CO 0.00 0.47 0.99 0.28 -0.31 0.00 0.00 175.10 176.52 1cg7 s THR 3 N -0.33 -0.36 0.85 5.32 -1.32 -1.26 -5.17 115.64 113.38 1cg7 s THR 3 Ca 0.04 -0.13 -0.12 0.00 -1.21 0.00 0.00 61.69 60.27 1cg7 s THR 3 Cb -0.10 0.00 0.10 0.00 -1.51 0.00 0.00 72.50 71.00 1cg7 s THR 3 CO 0.00 0.00 1.12 -2.16 -2.21 0.00 0.00 174.62 171.37 1cg7 s PRO 4 N 1.59 1.61 -0.30 7.08 0.04 -1.26 -5.08 135.00 138.67 1cg7 s PRO 4 Ca 0.18 0.46 -0.17 0.00 0.04 0.00 0.00 61.00 61.51 1cg7 s PRO 4 Cb 0.05 -1.88 0.19 0.00 0.04 0.00 0.00 34.50 32.90 1cg7 s PRO 4 CO -0.12 -1.91 1.22 -0.98 0.04 0.00 0.00 177.00 175.25 1cg7 s ARG 5 N -5.22 0.09 -0.30 4.56 1.70 -1.26 -5.16 118.95 113.37 1cg7 s ARG 5 Ca 0.62 0.20 -0.13 0.00 -0.47 0.00 0.00 55.73 55.95 1cg7 s ARG 5 Cb -0.15 0.07 0.18 0.00 -0.57 0.00 0.00 34.95 34.48 1cg7 s ARG 5 CO 0.54 -0.03 1.02 -1.83 -1.08 0.00 0.00 175.30 173.92 1cg7 s GLU 6 N 1.59 0.24 1.08 3.89 -1.05 -1.26 -5.17 118.70 118.01 1cg7 s GLU 6 Ca -0.04 0.49 -0.17 0.00 -0.15 0.00 0.00 54.97 55.09 1cg7 s GLU 6 Cb -0.02 0.28 0.24 0.00 -0.44 0.00 0.00 34.13 34.19 1cg7 s GLU 6 CO -0.13 -0.19 1.21 -1.25 0.95 0.00 0.00 175.26 175.85 1cg7 s PRO 7 N 2.71 -0.23 -0.28 -4.83 0.04 -1.26 -5.10 135.00 126.05 1cg7 s PRO 7 Ca 0.00 -0.22 -0.25 0.00 0.04 0.00 0.00 61.00 60.56 1cg7 s PRO 7 Cb -0.08 -1.73 0.16 0.00 0.04 0.00 0.00 34.50 32.89 1cg7 s PRO 7 CO -0.14 -3.03 1.26 0.21 0.04 0.00 0.00 177.00 175.34 1cg7 s LYS 8 N -5.64 0.26 -0.14 4.56 2.20 -1.26 -5.16 119.74 114.56 1cg7 s LYS 8 Ca 0.72 0.28 -0.06 0.00 -0.36 0.00 0.00 55.97 56.56 1cg7 s LYS 8 Cb -0.07 0.13 0.06 0.00 -1.51 0.00 0.00 37.83 36.44 1cg7 s LYS 8 CO 0.54 -0.04 0.30 0.21 -0.36 0.00 0.00 175.35 176.00 1cg7 s LYS 9 N 0.01 0.21 0.42 4.03 2.20 -1.26 -5.16 119.74 120.19 1cg7 s LYS 9 Ca 0.05 0.74 0.04 0.00 -0.36 0.00 0.00 55.97 56.45 1cg7 s LYS 9 Cb -0.05 -0.00 -0.02 0.00 -1.51 0.00 0.00 37.83 36.25 1cg7 s LYS 9 CO -0.11 -0.24 0.16 0.50 -0.36 0.00 0.00 175.35 175.31 1cg7 s ARG 10 N 2.06 1.98 -0.53 4.03 3.52 -1.26 -5.06 118.95 123.69 1cg7 s ARG 10 Ca -0.03 -2.22 0.03 0.00 -0.13 0.00 0.00 55.73 53.38 1cg7 s ARG 10 Cb -0.11 -0.47 0.42 0.00 -1.56 0.00 0.00 34.95 33.23 1cg7 s ARG 10 CO -0.10 -0.56 1.52 -2.37 -0.81 0.00 0.00 175.30 172.99 1cg7 n THR 11 N -0.93 2.94 -1.67 4.11 5.66 -1.26 -5.02 114.28 118.11 1cg7 n THR 11 Ca -0.05 -4.16 -0.43 0.00 -3.05 0.00 0.00 64.05 56.37 1cg7 n THR 11 Cb 0.64 -1.20 -0.03 0.00 -1.55 0.00 0.00 70.33 68.19 1cg7 n THR 11 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1cg7 s THR 12 N -5.01 3.07 -1.01 1.09 2.01 -1.26 -4.88 115.64 109.65 1cg7 s THR 12 Ca 0.53 0.07 -0.23 0.00 0.31 0.00 0.00 61.69 62.38 1cg7 s THR 12 Cb 0.43 -3.07 0.05 0.00 0.01 0.00 0.00 72.50 69.92 1cg7 s THR 12 CO -0.13 -0.03 1.47 -0.60 -0.69 0.00 0.00 174.62 174.64 1cg7 s ARG 13 N 5.48 3.54 -0.01 4.92 6.06 -1.26 -4.93 118.95 132.74 1cg7 s ARG 13 Ca 0.93 -1.06 0.02 0.00 -2.50 0.00 0.00 55.73 53.12 1cg7 s ARG 13 Cb -0.36 -5.32 0.00 0.00 0.06 0.00 0.00 34.95 29.33 1cg7 s ARG 13 CO 0.37 -2.26 -0.06 0.21 -2.50 0.00 0.00 175.30 171.06 1cg7 s LYS 14 N 5.08 0.63 -0.54 5.12 2.47 -1.26 -5.08 119.74 126.17 1cg7 s LYS 14 Ca 0.47 -0.22 0.07 0.00 -1.56 0.00 0.00 55.97 54.73 1cg7 s LYS 14 Cb -0.00 -0.61 0.25 0.00 -1.46 0.00 0.00 37.83 36.00 1cg7 s LYS 14 CO -0.09 0.10 0.66 1.17 0.16 0.00 0.00 175.35 177.34 1cg7 n LYS 15 N 3.17 1.79 -3.65 4.03 3.00 -1.26 -4.99 118.16 120.24 1cg7 n LYS 15 Ca -0.16 -4.08 -0.29 0.00 -0.00 0.00 0.00 58.31 53.78 1cg7 n LYS 15 Cb 0.56 -1.83 -0.13 0.00 0.00 0.00 0.00 35.03 33.63 1cg7 n LYS 15 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1cg7 s LYS 16 N -1.96 0.89 0.09 1.64 2.36 -1.26 -5.11 119.74 116.39 1cg7 s LYS 16 Ca 0.38 -1.51 0.09 0.00 -2.55 0.00 0.00 55.97 52.38 1cg7 s LYS 16 Cb 0.16 -1.92 -0.03 0.00 -1.05 0.00 0.00 37.83 34.98 1cg7 s LYS 16 CO -0.05 -1.12 -0.24 -0.51 1.55 0.00 0.00 175.35 174.98 1cg7 s ASP 17 N 0.96 2.93 0.00 1.43 1.11 -1.26 -5.15 116.67 116.69 1cg7 s ASP 17 Ca 0.15 -0.65 0.00 0.00 0.18 0.00 0.00 52.55 52.23 1cg7 s ASP 17 Cb -0.22 -0.21 0.00 0.00 1.07 0.00 0.00 42.92 43.56 1cg7 s ASP 17 CO -0.08 0.16 0.00 -0.81 1.18 0.00 0.00 175.17 175.62 1cg7 n PRO 18 N 1.33 1.06 -1.69 8.23 -0.04 -1.26 -4.78 135.00 137.86 1cg7 n PRO 18 Ca -0.18 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 62.99 1cg7 n PRO 18 Cb 0.53 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.91 1cg7 n PRO 18 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1cg7 n ASN 19 N 0.00 2.48 -4.10 3.54 6.94 -1.26 -4.83 115.26 118.03 1cg7 n ASN 19 Ca 0.00 -2.64 -0.14 0.00 -0.02 0.00 0.00 54.58 51.78 1cg7 n ASN 19 Cb 0.00 -1.53 -0.11 0.00 -2.36 0.00 0.00 39.78 35.78 1cg7 n ASN 19 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1cg7 s ALA 20 N 10.89 0.74 0.07 -2.53 0.00 -1.26 -2.29 121.76 127.38 1cg7 s ALA 20 Ca 0.69 -0.88 -0.30 0.00 0.00 0.00 0.00 51.96 51.47 1cg7 s ALA 20 Cb 0.03 0.03 -0.06 0.00 0.00 0.00 0.00 23.12 23.12 1cg7 s ALA 20 CO 0.16 -0.00 1.16 -1.25 0.00 0.00 0.00 175.76 175.82 1cg7 s PRO 21 N -1.85 4.47 0.06 0.00 0.04 -1.26 -4.96 135.00 131.50 1cg7 s PRO 21 Ca -0.06 1.72 -0.21 0.00 0.04 0.00 0.00 61.00 62.49 1cg7 s PRO 21 Cb -0.08 -3.35 -0.09 0.00 0.04 0.00 0.00 34.50 31.02 1cg7 s PRO 21 CO 0.00 -0.18 1.34 -0.22 0.04 0.00 0.00 177.00 177.98 1cg7 h LYS 22 N 6.53 -0.44 0.00 4.56 3.64 -1.97 -3.46 116.57 125.43 1cg7 h LYS 22 Ca -0.42 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 1cg7 h LYS 22 Cb 1.21 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 1cg7 h LYS 22 CO 0.79 -0.30 0.00 0.54 -2.27 0.00 0.00 179.45 178.21 1cg7 n ARG 23 N -4.28 0.00 -1.38 1.90 1.74 -1.26 -5.09 116.66 108.29 1cg7 n ARG 23 Ca -0.05 0.00 -0.62 0.00 -0.77 0.00 0.00 57.85 56.41 1cg7 n ARG 23 Cb 0.25 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.58 1cg7 n ARG 23 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1cg7 n ALA 24 N 0.00 -0.13 -0.55 7.54 0.00 -1.26 -4.84 120.51 121.27 1cg7 n ALA 24 Ca 0.00 0.26 -0.29 0.00 0.00 0.00 0.00 53.44 53.41 1cg7 n ALA 24 Cb 0.00 -2.06 0.23 0.00 0.00 0.00 0.00 19.45 17.62 1cg7 n ALA 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1cg7 s LEU 25 N 5.29 1.46 0.20 0.00 1.02 -1.26 -5.00 118.68 120.39 1cg7 s LEU 25 Ca 1.16 1.77 -0.05 0.00 0.02 0.00 0.00 54.13 57.03 1cg7 s LEU 25 Cb -1.47 -3.81 -0.05 0.00 0.02 0.00 0.00 46.19 40.87 1cg7 s LEU 25 CO 0.69 -3.93 0.45 -0.44 0.02 0.00 0.00 176.35 173.14 1cg7 s SER 26 N -2.50 6.47 0.56 2.29 0.01 -1.26 -4.91 113.70 114.36 1cg7 s SER 26 Ca 0.68 0.62 0.48 0.00 1.31 0.00 0.00 55.95 59.04 1cg7 s SER 26 Cb -0.25 -2.10 1.68 0.00 0.21 0.00 0.00 66.02 65.56 1cg7 s SER 26 CO 0.63 -0.05 1.60 0.00 0.41 0.00 0.00 173.24 175.83 1cg7 h ALA 27 N 2.32 3.73 -0.16 1.44 0.00 -1.93 1.60 119.26 126.24 1cg7 h ALA 27 Ca -0.47 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.35 1cg7 h ALA 27 Cb 1.18 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1cg7 h ALA 27 CO 0.69 -2.27 -0.01 -0.92 0.00 0.00 0.00 179.25 176.75 1cg7 h TYR 28 N 0.00 0.32 -0.00 0.00 3.20 -1.98 -2.78 116.97 115.72 1cg7 h TYR 28 Ca 0.86 -0.06 -0.05 0.00 3.14 0.00 0.00 58.73 62.62 1cg7 h TYR 28 Cb 3.51 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 41.69 1cg7 h TYR 28 CO 0.00 0.53 -0.25 0.52 -1.64 0.00 0.00 178.16 177.31 1cg7 h MET 29 N 0.03 0.01 -0.08 1.82 2.86 0.19 0.10 114.93 119.86 1cg7 h MET 29 Ca 0.04 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1cg7 h MET 29 Cb 0.40 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.06 1cg7 h MET 29 CO 0.01 0.26 0.04 0.74 1.06 0.00 0.00 176.91 179.02 1cg7 h PHE 30 N 0.00 0.11 0.00 -0.22 0.04 -1.06 1.52 116.94 117.33 1cg7 h PHE 30 Ca -0.00 -0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.64 1cg7 h PHE 30 Cb 0.45 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.55 1cg7 h PHE 30 CO 0.00 0.14 -0.62 0.35 -0.60 0.00 0.00 178.31 177.58 1cg7 h PHE 31 N 0.05 0.00 0.01 -0.55 3.57 -1.27 -3.31 116.94 115.44 1cg7 h PHE 31 Ca 0.03 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 1cg7 h PHE 31 Cb 0.06 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.80 1cg7 h PHE 31 CO -0.05 0.62 -0.00 0.00 -2.23 0.00 0.00 178.31 176.65 1cg7 h ALA 32 N 1.38 -0.01 -1.77 2.41 0.00 -0.54 0.15 119.26 120.89 1cg7 h ALA 32 Ca -0.01 -0.40 0.51 0.00 0.00 0.00 0.00 54.91 55.02 1cg7 h ALA 32 Cb 1.40 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.12 1cg7 h ALA 32 CO 0.08 -0.09 1.34 -0.91 0.00 0.00 0.00 179.25 179.67 1cg7 h ASN 33 N -0.83 0.00 0.00 0.00 2.35 0.21 1.98 115.58 119.28 1cg7 h ASN 33 Ca -0.00 0.00 -0.37 0.00 -0.55 0.00 0.00 56.30 55.38 1cg7 h ASN 33 Cb 0.80 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 39.10 1cg7 h ASN 33 CO 0.00 0.00 -2.38 -0.62 -1.65 0.00 0.00 177.43 172.79 1cg7 n GLU 34 N -3.86 0.74 -0.91 0.81 1.02 -1.20 -4.25 120.64 112.99 1cg7 n GLU 34 Ca 0.40 0.01 -0.16 0.00 -0.02 0.00 0.00 57.16 57.39 1cg7 n GLU 34 Cb 1.88 -1.51 0.15 0.00 -0.02 0.00 0.00 31.44 31.94 1cg7 n GLU 34 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1cg7 n ASN 35 N -2.81 3.66 -1.07 1.62 5.03 0.57 -3.99 115.26 118.27 1cg7 n ASN 35 Ca -0.34 -3.17 0.10 0.00 0.87 0.00 0.00 54.58 52.03 1cg7 n ASN 35 Cb 1.12 -0.75 0.24 0.00 -1.02 0.00 0.00 39.78 39.38 1cg7 n ASN 35 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 1cg7 n ARG 36 N -0.64 2.61 -0.03 3.52 0.63 0.43 -4.21 116.66 118.97 1cg7 n ARG 36 Ca 0.43 -2.34 -0.03 0.00 -0.92 0.00 0.00 57.85 54.99 1cg7 n ARG 36 Cb 1.35 -1.46 -0.05 0.00 0.45 0.00 0.00 32.46 32.76 1cg7 n ARG 36 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1cg7 n ASP 37 N 1.26 3.57 -0.05 6.15 9.92 -1.26 -3.81 116.55 132.33 1cg7 n ASP 37 Ca 0.19 -0.00 -0.05 0.00 -0.53 0.00 0.00 54.79 54.40 1cg7 n ASP 37 Cb 0.55 0.62 0.17 0.00 -0.64 0.00 0.00 41.12 41.81 1cg7 n ASP 37 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1cg7 h ILE 38 N 0.00 1.25 0.06 0.53 5.03 -1.82 0.27 117.51 122.83 1cg7 h ILE 38 Ca -0.16 -1.17 -0.15 0.00 -0.12 0.00 0.00 64.86 63.27 1cg7 h ILE 38 Cb 1.35 1.14 -0.00 0.00 -3.03 0.00 0.00 36.82 36.28 1cg7 h ILE 38 CO 0.01 0.39 -0.74 0.58 -0.68 0.00 0.00 178.15 177.71 1cg7 h VAL 39 N 0.59 1.40 -0.47 1.67 2.07 -1.81 -3.25 116.25 116.45 1cg7 h VAL 39 Ca 0.10 -2.37 0.07 0.00 0.82 0.00 0.00 66.70 65.31 1cg7 h VAL 39 Cb 0.59 2.98 -0.03 0.00 -1.52 0.00 0.00 31.29 33.32 1cg7 h VAL 39 CO 0.04 0.60 0.31 0.08 0.02 0.00 0.00 177.57 178.62 1cg7 h ARG 40 N -0.70 0.35 -0.24 1.57 0.11 -1.64 0.37 114.38 114.20 1cg7 h ARG 40 Ca -0.17 -0.02 -0.06 0.00 0.10 0.00 0.00 59.98 59.83 1cg7 h ARG 40 Cb 1.38 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 32.36 1cg7 h ARG 40 CO 0.01 0.23 -0.12 1.03 0.10 0.00 0.00 179.97 181.22 1cg7 h SER 41 N 0.36 0.37 0.23 0.08 0.87 -0.56 0.62 113.55 115.52 1cg7 h SER 41 Ca 0.21 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1cg7 h SER 41 Cb 0.36 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 1cg7 h SER 41 CO -0.05 0.52 -0.48 -0.62 -0.53 0.00 0.00 176.83 175.68 1cg7 n GLU 42 N -4.24 0.54 -3.02 2.24 1.02 0.29 -4.36 120.64 113.11 1cg7 n GLU 42 Ca 0.00 -0.37 -0.15 0.00 -0.02 0.00 0.00 57.16 56.62 1cg7 n GLU 42 Cb 0.29 -1.49 0.01 0.00 -0.02 0.00 0.00 31.44 30.23 1cg7 n GLU 42 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1cg7 n ASN 43 N -0.91 -0.48 0.00 1.62 3.02 0.10 -4.92 115.26 113.69 1cg7 n ASN 43 Ca 0.09 -3.21 0.11 0.00 -0.03 0.00 0.00 54.58 51.53 1cg7 n ASN 43 Cb 0.36 0.34 0.57 0.00 -0.61 0.00 0.00 39.78 40.44 1cg7 n ASN 43 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1cg7 n PRO 44 N 0.52 0.31 0.04 3.52 -0.04 0.21 -2.03 135.00 137.52 1cg7 n PRO 44 Ca 0.18 0.07 0.12 0.00 -0.04 0.00 0.00 63.50 63.83 1cg7 n PRO 44 Cb 0.66 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.76 1cg7 n PRO 44 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1cg7 n ASP 45 N -1.29 0.63 -4.59 3.54 -0.08 -1.26 -4.91 116.55 108.59 1cg7 n ASP 45 Ca 0.11 -0.05 -0.27 0.00 -1.51 0.00 0.00 54.79 53.06 1cg7 n ASP 45 Cb 0.18 0.36 -0.10 0.00 2.34 0.00 0.00 41.12 43.90 1cg7 n ASP 45 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 1cg7 s ILE 46 N -3.14 1.69 0.05 5.18 -5.25 -0.86 -5.16 121.20 113.70 1cg7 s ILE 46 Ca 0.06 -2.00 0.01 0.00 -0.99 0.00 0.00 60.65 57.73 1cg7 s ILE 46 Cb 0.15 -2.83 -0.00 0.00 2.95 0.00 0.00 42.46 42.72 1cg7 s ILE 46 CO 0.74 0.00 0.02 0.35 -1.79 0.00 0.00 174.94 174.26 1cg7 n THR 47 N -0.95 0.00 -0.59 8.37 -2.24 -1.26 -4.93 114.28 112.67 1cg7 n THR 47 Ca -0.06 -0.27 0.45 0.00 -2.27 0.00 0.00 64.05 61.89 1cg7 n THR 47 Cb 0.67 0.10 0.70 0.00 -2.10 0.00 0.00 70.33 69.70 1cg7 n THR 47 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1cg7 n PHE 48 N -0.10 0.12 -0.32 4.78 7.35 -1.26 0.02 117.46 128.05 1cg7 n PHE 48 Ca -0.01 0.12 0.20 0.00 -0.76 0.00 0.00 57.45 57.01 1cg7 n PHE 48 Cb 0.07 -0.55 0.39 0.00 0.35 0.00 0.00 39.48 39.74 1cg7 n PHE 48 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1cg7 n GLY 49 N -1.75 -1.05 0.00 7.13 0.00 -1.26 0.10 105.19 108.37 1cg7 n GLY 49 Ca 0.39 0.86 0.00 0.00 0.00 0.00 0.00 46.02 47.26 1cg7 n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cg7 n GLN 50 N -5.28 2.09 -0.07 1.61 0.00 0.10 -4.50 117.38 111.33 1cg7 n GLN 50 Ca 0.28 -0.27 -0.22 0.00 0.00 0.00 0.00 57.00 56.79 1cg7 n GLN 50 Cb 0.92 -0.75 -0.12 0.00 0.00 0.00 0.00 30.24 30.29 1cg7 n GLN 50 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1cg7 n VAL 51 N -0.38 1.61 0.70 -0.39 0.31 -0.07 -3.44 118.33 116.67 1cg7 n VAL 51 Ca 0.00 -0.24 0.09 0.00 -0.01 0.00 0.00 64.34 64.18 1cg7 n VAL 51 Cb 0.01 -1.93 0.41 0.00 -0.91 0.00 0.00 33.84 31.42 1cg7 n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1cg7 n GLY 52 N 1.60 -1.05 0.81 2.92 0.00 0.28 -0.52 105.19 109.23 1cg7 n GLY 52 Ca -0.34 -0.07 0.07 0.00 0.00 0.00 0.00 46.02 45.69 1cg7 n GLY 52 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1cg7 n LYS 53 N -1.43 2.52 0.00 1.61 5.02 -1.22 -4.35 118.16 120.31 1cg7 n LYS 53 Ca 0.06 -2.09 0.00 0.00 -2.02 0.00 0.00 58.31 54.26 1cg7 n LYS 53 Cb 0.19 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 1cg7 n LYS 53 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1cg7 n LYS 54 N 0.85 0.00 -0.33 1.97 4.81 -0.62 -4.72 118.16 120.12 1cg7 n LYS 54 Ca 0.14 0.00 0.09 0.00 -0.87 0.00 0.00 58.31 57.68 1cg7 n LYS 54 Cb 0.46 -0.79 0.27 0.00 0.02 0.00 0.00 35.03 34.99 1cg7 n LYS 54 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1cg7 h LEU 55 N 0.00 0.69 -1.55 3.14 3.38 -1.03 0.25 115.31 120.18 1cg7 h LEU 55 Ca 0.00 0.09 0.31 0.00 0.09 0.00 0.00 57.88 58.37 1cg7 h LEU 55 Cb 0.86 -0.03 -0.09 0.00 0.09 0.00 0.00 40.66 41.49 1cg7 h LEU 55 CO 0.00 0.28 0.75 1.23 0.09 0.00 0.00 178.44 180.80 1cg7 h GLY 56 N 0.74 0.87 1.70 0.83 0.00 -1.81 1.21 103.07 106.61 1cg7 h GLY 56 Ca 0.52 -0.13 -0.07 0.00 0.00 0.00 0.00 47.33 47.64 1cg7 h GLY 56 CO -0.36 -0.13 -0.20 0.83 0.00 0.00 0.00 176.54 176.68 1cg7 h GLU 57 N 0.24 0.36 0.01 4.80 5.08 -0.81 -1.91 114.58 122.35 1cg7 h GLU 57 Ca 0.62 -0.11 -0.20 0.00 -1.00 0.00 0.00 59.36 58.66 1cg7 h GLU 57 Cb 1.89 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 31.10 1cg7 h GLU 57 CO -0.23 0.55 -0.91 0.87 -1.00 0.00 0.00 179.01 178.30 1cg7 h LYS 58 N 0.33 0.20 -0.10 2.33 1.57 0.14 -2.14 116.57 118.90 1cg7 h LYS 58 Ca 0.06 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1cg7 h LYS 58 Cb 0.54 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.91 1cg7 h LYS 58 CO 0.04 0.97 0.06 2.35 -0.57 0.00 0.00 179.45 182.30 1cg7 h TRP 59 N 0.10 0.12 0.00 -1.35 2.91 -0.52 1.45 115.95 118.68 1cg7 h TRP 59 Ca -0.05 0.00 -0.05 0.00 1.13 0.00 0.00 58.89 59.92 1cg7 h TRP 59 Cb 1.55 -0.04 -0.01 0.00 -0.51 0.00 0.00 29.16 30.15 1cg7 h TRP 59 CO 0.03 0.11 -0.25 1.57 -1.03 0.00 0.00 178.44 178.87 1cg7 h LYS 60 N 0.10 0.00 -0.36 2.65 2.10 -1.37 0.02 116.57 119.71 1cg7 h LYS 60 Ca 0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.68 1cg7 h LYS 60 Cb 0.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.35 1cg7 h LYS 60 CO -0.01 0.25 0.00 0.00 -2.00 0.00 0.00 179.45 177.69 1cg7 n ALA 61 N -2.43 2.45 1.62 0.07 0.00 -0.46 -3.87 120.51 117.89 1cg7 n ALA 61 Ca -0.02 -0.81 0.14 0.00 0.00 0.00 0.00 53.44 52.75 1cg7 n ALA 61 Cb 0.32 -0.97 0.80 0.00 0.00 0.00 0.00 19.45 19.59 1cg7 n ALA 61 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1cg7 n LEU 62 N 0.95 0.00 -1.13 0.00 7.94 0.49 -4.98 117.00 120.26 1cg7 n LEU 62 Ca 0.18 0.12 0.12 0.00 -1.11 0.00 0.00 56.01 55.31 1cg7 n LEU 62 Cb 0.46 -0.12 -0.05 0.00 0.53 0.00 0.00 43.42 44.24 1cg7 n LEU 62 CO 0.13 -0.01 -0.33 1.07 -1.11 0.00 0.00 177.39 177.15 1cg7 n THR 63 N -1.12 -0.13 0.21 1.96 5.66 -1.25 -2.86 114.28 116.75 1cg7 n THR 63 Ca 0.18 0.39 0.10 0.00 -3.05 0.00 0.00 64.05 61.67 1cg7 n THR 63 Cb 0.15 -0.71 0.33 0.00 -1.55 0.00 0.00 70.33 68.55 1cg7 n THR 63 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 1cg7 h PRO 64 N -1.28 0.00 -0.35 1.09 0.13 -1.94 -0.96 132.00 128.69 1cg7 h PRO 64 Ca -0.07 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.01 1cg7 h PRO 64 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1cg7 h PRO 64 CO 0.04 0.21 0.03 0.93 -0.23 0.00 0.00 178.00 178.98 1cg7 h GLU 65 N 0.00 0.53 0.00 0.86 4.39 -2.00 1.84 114.58 120.20 1cg7 h GLU 65 Ca -0.00 -0.10 -0.20 0.00 0.34 0.00 0.00 59.36 59.40 1cg7 h GLU 65 Cb 0.91 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.44 1cg7 h GLU 65 CO 0.03 0.53 -1.90 0.39 -1.16 0.00 0.00 179.01 176.90 1cg7 n GLU 66 N -4.30 0.65 0.07 2.33 -0.58 -1.13 -4.14 120.64 113.54 1cg7 n GLU 66 Ca 0.02 0.04 -0.05 0.00 -0.42 0.00 0.00 57.16 56.75 1cg7 n GLU 66 Cb 0.22 -1.64 -0.09 0.00 -0.57 0.00 0.00 31.44 29.37 1cg7 n GLU 66 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1cg7 h LYS 67 N 0.00 0.00 -0.48 3.49 3.11 -0.89 -2.93 116.57 118.88 1cg7 h LYS 67 Ca -0.26 0.00 0.08 0.00 -2.81 0.00 0.00 60.65 57.67 1cg7 h LYS 67 Cb 1.67 0.00 -0.10 0.00 -1.00 0.00 0.00 32.23 32.80 1cg7 h LYS 67 CO 0.03 0.77 -0.40 1.96 -2.81 0.00 0.00 179.45 179.00 1cg7 h GLN 68 N 0.00 -0.25 -0.02 1.90 4.20 0.27 0.94 115.11 122.15 1cg7 h GLN 68 Ca -0.06 0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.60 1cg7 h GLN 68 Cb 1.70 0.06 0.01 0.00 0.30 0.00 0.00 27.48 29.55 1cg7 h GLN 68 CO 0.10 -0.17 -0.28 -1.00 -0.67 0.00 0.00 178.83 176.81 1cg7 h PRO 69 N -0.26 0.22 0.00 1.46 0.13 -1.77 -2.54 132.00 129.23 1cg7 h PRO 69 Ca 0.17 -0.21 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1cg7 h PRO 69 Cb 0.57 0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.75 1cg7 h PRO 69 CO -0.62 0.92 0.00 0.66 -0.23 0.00 0.00 178.00 178.73 1cg7 n TYR 70 N -4.48 0.00 -0.31 1.56 4.01 -0.98 0.22 117.16 117.17 1cg7 n TYR 70 Ca -0.09 0.00 0.16 0.00 -0.16 0.00 0.00 57.90 57.81 1cg7 n TYR 70 Cb 0.51 -0.37 0.35 0.00 -0.31 0.00 0.00 39.34 39.52 1cg7 n TYR 70 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 1cg7 h GLU 71 N 0.00 0.33 -0.19 -0.72 4.81 0.73 0.42 114.58 119.96 1cg7 h GLU 71 Ca 0.00 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1cg7 h GLU 71 Cb 0.00 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1cg7 h GLU 71 CO 0.00 0.22 0.06 0.00 -0.73 0.00 0.00 179.01 178.56 1cg7 h ALA 72 N 1.77 0.25 -0.55 2.92 0.00 -1.19 -1.65 119.26 120.80 1cg7 h ALA 72 Ca 0.61 -0.13 0.16 0.00 0.00 0.00 0.00 54.91 55.55 1cg7 h ALA 72 Cb 1.26 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1cg7 h ALA 72 CO -0.59 -0.13 0.72 -0.22 0.00 0.00 0.00 179.25 179.03 1cg7 h LYS 73 N 0.13 0.00 0.00 0.00 3.64 0.72 3.71 116.57 124.77 1cg7 h LYS 73 Ca 0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1cg7 h LYS 73 Cb 0.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1cg7 h LYS 73 CO -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.18 1cg7 h ALA 74 N 1.08 1.00 0.00 5.00 0.00 -0.69 -2.18 119.26 123.47 1cg7 h ALA 74 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1cg7 h ALA 74 Cb 1.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1cg7 h ALA 74 CO -0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1cg7 n GLN 75 N -2.57 0.20 -0.10 0.00 0.00 1.23 -1.64 117.38 114.51 1cg7 n GLN 75 Ca 0.02 0.14 -0.17 0.00 0.00 0.00 0.00 57.00 56.99 1cg7 n GLN 75 Cb 0.29 -1.50 -0.06 0.00 0.00 0.00 0.00 30.24 28.97 1cg7 n GLN 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1cg7 n ALA 76 N -1.31 1.34 0.21 2.61 0.00 -0.82 -4.37 120.51 118.17 1cg7 n ALA 76 Ca 0.07 -0.83 0.18 0.00 0.00 0.00 0.00 53.44 52.86 1cg7 n ALA 76 Cb 0.13 0.13 0.85 0.00 0.00 0.00 0.00 19.45 20.56 1cg7 n ALA 76 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1cg7 h ASP 77 N -0.85 0.00 0.33 0.00 1.82 -1.55 0.66 116.42 116.83 1cg7 h ASP 77 Ca -0.32 0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.26 1cg7 h ASP 77 Cb 1.21 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.21 1cg7 h ASP 77 CO -0.19 0.00 -0.26 0.50 -1.61 0.00 0.00 179.24 177.68 1cg7 h LYS 78 N 0.00 0.00 0.15 0.28 3.64 -1.52 -0.01 116.57 119.11 1cg7 h LYS 78 Ca 0.09 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.17 1cg7 h LYS 78 Cb 0.57 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.40 1cg7 h LYS 78 CO -0.00 0.26 -1.42 0.87 -2.27 0.00 0.00 179.45 176.89 1cg7 h LYS 79 N 0.00 0.31 -0.42 1.90 1.57 0.11 -3.32 116.57 116.72 1cg7 h LYS 79 Ca -0.00 -0.53 -0.03 0.00 -1.87 0.00 0.00 60.65 58.22 1cg7 h LYS 79 Cb 0.49 0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.98 1cg7 h LYS 79 CO 0.03 1.22 0.13 0.00 -0.57 0.00 0.00 179.45 180.26 1cg7 h ARG 80 N 0.08 0.66 0.00 3.15 3.08 -0.85 -1.87 114.38 118.63 1cg7 h ARG 80 Ca -0.21 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 59.70 1cg7 h ARG 80 Cb 2.03 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.98 1cg7 h ARG 80 CO 0.20 0.65 0.25 -0.92 -1.07 0.00 0.00 179.97 179.07 1cg7 h TYR 81 N 0.54 0.00 0.00 3.04 3.20 -1.11 0.93 116.97 123.57 1cg7 h TYR 81 Ca 0.14 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 1cg7 h TYR 81 Cb 0.27 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.54 1cg7 h TYR 81 CO 0.01 0.00 -0.48 0.93 -1.64 0.00 0.00 178.16 176.98 1cg7 h GLU 82 N 0.00 0.00 -0.16 1.82 5.08 -1.44 -2.89 114.58 116.99 1cg7 h GLU 82 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1cg7 h GLU 82 Cb 0.49 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1cg7 h GLU 82 CO 0.00 0.03 -0.02 1.03 -1.00 0.00 0.00 179.01 179.05 1cg7 h SER 83 N 0.00 0.30 1.73 1.42 0.87 0.97 0.14 113.55 118.98 1cg7 h SER 83 Ca -0.00 -0.34 -0.01 0.00 -1.23 0.00 0.00 61.79 60.20 1cg7 h SER 83 Cb 1.03 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.91 1cg7 h SER 83 CO 0.00 0.57 -0.06 -0.33 -0.53 0.00 0.00 176.83 176.48 1cg7 h GLU 84 N 0.03 0.00 0.00 2.24 3.07 -1.64 -3.04 114.58 115.24 1cg7 h GLU 84 Ca 0.04 0.00 -0.18 0.00 -0.50 0.00 0.00 59.36 58.72 1cg7 h GLU 84 Cb 0.43 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.31 1cg7 h GLU 84 CO 0.01 0.06 -0.86 -0.22 -1.40 0.00 0.00 179.01 176.61 1cg7 h LYS 85 N 0.00 0.04 0.08 2.33 3.64 -1.28 -2.17 116.57 119.22 1cg7 h LYS 85 Ca -0.00 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1cg7 h LYS 85 Cb 0.95 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 1cg7 h LYS 85 CO 0.01 0.87 -0.04 1.49 -2.27 0.00 0.00 179.45 179.51 1cg7 h GLU 86 N 0.02 -0.10 -0.19 1.90 4.81 -0.85 0.80 114.58 120.98 1cg7 h GLU 86 Ca -0.02 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 1cg7 h GLU 86 Cb 1.50 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.90 1cg7 h GLU 86 CO 0.12 -0.06 -0.02 -0.07 -0.73 0.00 0.00 179.01 178.25 1cg7 h LEU 87 N -0.12 0.34 -0.21 1.64 4.07 -1.62 0.44 115.31 119.86 1cg7 h LEU 87 Ca -0.01 -0.33 0.03 0.00 0.08 0.00 0.00 57.88 57.65 1cg7 h LEU 87 Cb 0.09 -0.09 -0.03 0.00 1.08 0.00 0.00 40.66 41.71 1cg7 h LEU 87 CO 0.02 0.59 0.01 0.22 -1.08 0.00 0.00 178.44 178.20 1cg7 h TYR 88 N 0.09 0.01 0.00 1.13 3.20 -0.96 0.28 116.97 120.72 1cg7 h TYR 88 Ca 0.05 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.89 1cg7 h TYR 88 Cb 0.43 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 1cg7 h TYR 88 CO 0.04 -0.02 -0.23 -0.97 -1.64 0.00 0.00 178.16 175.35 1cg7 h ASN 89 N 0.08 0.00 1.35 -2.11 -1.24 0.69 -1.80 115.58 112.55 1cg7 h ASN 89 Ca 0.10 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.11 1cg7 h ASN 89 Cb 0.12 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.17 1cg7 h ASN 89 CO -0.16 0.23 0.00 0.00 -1.29 0.00 0.00 177.43 176.21 1cg7 n ALA 90 N -2.22 2.25 0.10 1.57 0.00 0.15 0.12 120.51 122.47 1cg7 n ALA 90 Ca 0.00 -0.03 0.05 0.00 0.00 0.00 0.00 53.44 53.47 1cg7 n ALA 90 Cb 0.43 -1.46 -0.01 0.00 0.00 0.00 0.00 19.45 18.41 1cg7 n ALA 90 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1cg7 h THR 91 N 0.00 0.36 0.00 0.00 2.02 0.39 -3.37 112.91 112.31 1cg7 h THR 91 Ca 0.00 -1.62 -0.26 0.00 0.77 0.00 0.00 66.41 65.30 1cg7 h THR 91 Cb 0.67 1.94 -0.05 0.00 -1.74 0.00 0.00 68.15 68.98 1cg7 h THR 91 CO 0.00 0.20 -1.99 0.00 0.37 0.00 0.00 175.52 174.10 1cg7 n LEU 92 N -2.92 2.61 0.00 2.58 -0.00 -1.13 -5.10 117.00 113.04 1cg7 n LEU 92 Ca -0.03 -0.08 0.00 0.00 -0.00 0.00 0.00 56.01 55.90 1cg7 n LEU 92 Cb 0.69 -0.50 0.00 0.00 -0.00 0.00 0.00 43.42 43.62 1cg7 n LEU 92 CO 0.41 0.74 0.00 0.00 -0.00 0.00 0.00 177.39 178.53