#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 -0.16 0.25 2.03 0.11 -1.26 -5.17 120.40 116.20 1cg7 s VAL 2 Ca 0.00 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 58.99 1cg7 s VAL 2 Cb 0.00 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.79 1cg7 s VAL 2 CO 0.00 0.00 0.53 0.42 -3.33 0.00 0.00 175.10 172.72 1cg7 s THR 3 N 2.38 5.01 0.00 5.04 -4.23 -1.26 -5.10 115.64 117.49 1cg7 s THR 3 Ca -0.02 0.19 0.00 0.00 -1.18 0.00 0.00 61.69 60.68 1cg7 s THR 3 Cb -0.04 -3.68 0.00 0.00 1.34 0.00 0.00 72.50 70.12 1cg7 s THR 3 CO -0.14 -0.19 0.00 -0.81 -0.54 0.00 0.00 174.62 172.94 1cg7 n PRO 4 N -0.54 -0.21 0.00 3.99 -0.04 -1.26 -5.11 135.00 131.83 1cg7 n PRO 4 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1cg7 n PRO 4 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 1cg7 n PRO 4 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1cg7 n ARG 5 N -1.01 0.00 -3.29 0.54 0.00 -1.26 -5.16 116.66 106.48 1cg7 n ARG 5 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.85 57.88 1cg7 n ARG 5 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.43 1cg7 n ARG 5 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 1cg7 s GLU 6 N -1.24 0.28 0.61 -0.14 2.12 -1.26 -5.18 118.70 113.90 1cg7 s GLU 6 Ca 0.00 0.62 -0.10 0.00 0.36 0.00 0.00 54.97 55.84 1cg7 s GLU 6 Cb 0.00 0.36 0.15 0.00 0.26 0.00 0.00 34.13 34.90 1cg7 s GLU 6 CO 0.00 -0.19 0.68 -0.35 -0.54 0.00 0.00 175.26 174.86 1cg7 n PRO 7 N 5.19 -1.45 -2.77 4.30 -0.04 -1.26 -5.11 135.00 133.86 1cg7 n PRO 7 Ca -0.07 -1.06 -0.07 0.00 -0.04 0.00 0.00 63.50 62.25 1cg7 n PRO 7 Cb 0.53 -0.84 -0.02 0.00 -0.04 0.00 0.00 33.50 33.13 1cg7 n PRO 7 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1cg7 n LYS 8 N -2.96 0.28 -3.59 0.54 4.81 -1.26 -5.19 118.16 110.79 1cg7 n LYS 8 Ca 0.09 -1.35 0.02 0.00 -0.87 0.00 0.00 58.31 56.20 1cg7 n LYS 8 Cb 0.33 1.24 -0.00 0.00 0.02 0.00 0.00 35.03 36.61 1cg7 n LYS 8 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1cg7 s LYS 9 N -2.44 0.25 0.26 1.64 -0.14 -1.26 -5.19 119.74 112.86 1cg7 s LYS 9 Ca 0.15 -0.14 -0.06 0.00 -1.36 0.00 0.00 55.97 54.56 1cg7 s LYS 9 Cb -0.00 0.09 0.02 0.00 -1.68 0.00 0.00 37.83 36.26 1cg7 s LYS 9 CO 0.11 -0.12 0.45 -2.13 -0.76 0.00 0.00 175.35 172.90 1cg7 n ARG 10 N -0.49 0.64 -3.87 1.68 0.63 -1.26 -5.19 116.66 108.80 1cg7 n ARG 10 Ca -0.09 -1.71 -0.09 0.00 -0.92 0.00 0.00 57.85 55.05 1cg7 n ARG 10 Cb 0.63 1.88 -0.01 0.00 0.45 0.00 0.00 32.46 35.42 1cg7 n ARG 10 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 1cg7 s THR 11 N -2.53 0.00 0.16 5.15 -1.32 -1.26 -5.19 115.64 110.66 1cg7 s THR 11 Ca 0.15 -1.08 -0.13 0.00 -1.21 0.00 0.00 61.69 59.42 1cg7 s THR 11 Cb -0.02 -2.45 0.01 0.00 -1.51 0.00 0.00 72.50 68.53 1cg7 s THR 11 CO 0.11 0.00 0.37 -0.89 -2.21 0.00 0.00 174.62 172.00 1cg7 s THR 12 N -3.17 0.06 0.21 5.08 2.01 -1.26 -5.18 115.64 113.38 1cg7 s THR 12 Ca 0.15 -1.07 -0.04 0.00 0.31 0.00 0.00 61.69 61.05 1cg7 s THR 12 Cb -0.05 -1.63 -0.03 0.00 0.01 0.00 0.00 72.50 70.80 1cg7 s THR 12 CO 0.10 -0.27 0.20 -0.60 -0.69 0.00 0.00 174.62 173.36 1cg7 s ARG 13 N -3.91 1.26 0.28 4.92 3.52 -1.26 -5.18 118.95 118.59 1cg7 s ARG 13 Ca 0.12 -1.53 -0.13 0.00 -0.13 0.00 0.00 55.73 54.05 1cg7 s ARG 13 Cb 0.02 0.31 0.05 0.00 -1.56 0.00 0.00 34.95 33.77 1cg7 s ARG 13 CO -0.03 -0.44 0.69 1.63 -0.81 0.00 0.00 175.30 176.34 1cg7 n LYS 14 N -0.29 0.82 0.13 5.12 4.76 -1.26 -5.10 118.16 122.35 1cg7 n LYS 14 Ca 0.01 -1.65 0.00 0.00 -2.87 0.00 0.00 58.31 53.80 1cg7 n LYS 14 Cb 0.65 2.09 0.00 0.00 -1.84 0.00 0.00 35.03 35.93 1cg7 n LYS 14 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1cg7 n LYS 15 N -0.47 0.00 -0.75 1.97 4.81 -1.26 -5.17 118.16 117.29 1cg7 n LYS 15 Ca -0.06 0.00 0.10 0.00 -0.87 0.00 0.00 58.31 57.48 1cg7 n LYS 15 Cb 0.48 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.50 1cg7 n LYS 15 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1cg7 n LYS 16 N -3.29 -1.57 -3.95 1.64 5.02 -1.26 -4.94 118.16 109.81 1cg7 n LYS 16 Ca 0.00 1.11 -0.21 0.00 -2.02 0.00 0.00 58.31 57.19 1cg7 n LYS 16 Cb 0.00 -1.90 -0.04 0.00 -0.02 0.00 0.00 35.03 33.08 1cg7 n LYS 16 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1cg7 s ASP 17 N -5.43 5.49 0.00 4.39 1.11 -1.26 -5.13 116.67 115.84 1cg7 s ASP 17 Ca 0.00 -0.33 0.00 0.00 0.18 0.00 0.00 52.55 52.40 1cg7 s ASP 17 Cb 0.00 -1.24 0.00 0.00 1.07 0.00 0.00 42.92 42.75 1cg7 s ASP 17 CO 0.00 -0.19 0.00 -0.81 1.18 0.00 0.00 175.17 175.35 1cg7 n PRO 18 N -1.30 1.09 -1.67 8.23 -0.04 -1.26 -4.79 135.00 135.26 1cg7 n PRO 18 Ca -0.05 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.07 1cg7 n PRO 18 Cb 0.59 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.98 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 2.74 -4.21 3.54 0.23 -1.26 -4.86 115.26 111.45 1cg7 n ASN 19 Ca 0.00 -2.68 -0.32 0.00 -0.53 0.00 0.00 54.58 51.05 1cg7 n ASN 19 Cb 0.00 -1.47 -0.17 0.00 -2.08 0.00 0.00 39.78 36.06 1cg7 n ASN 19 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1cg7 s ALA 20 N 9.02 2.17 0.70 -2.53 0.00 -1.26 -3.88 121.76 125.98 1cg7 s ALA 20 Ca 0.65 -0.99 -0.11 0.00 0.00 0.00 0.00 51.96 51.52 1cg7 s ALA 20 Cb 0.05 -0.84 0.01 0.00 0.00 0.00 0.00 23.12 22.34 1cg7 s ALA 20 CO 0.14 0.23 1.06 -1.25 0.00 0.00 0.00 175.76 175.94 1cg7 s PRO 21 N 0.44 2.93 -0.21 0.00 0.04 -1.26 -5.00 135.00 131.93 1cg7 s PRO 21 Ca -0.17 0.96 0.18 0.00 0.04 0.00 0.00 61.00 62.01 1cg7 s PRO 21 Cb -0.17 -1.99 0.47 0.00 0.04 0.00 0.00 34.50 32.85 1cg7 s PRO 21 CO 0.07 -1.11 1.16 1.17 0.04 0.00 0.00 177.00 178.33 1cg7 n LYS 22 N -3.14 1.82 -0.72 4.56 4.81 -1.26 -5.00 118.16 119.23 1cg7 n LYS 22 Ca 0.08 -3.33 -0.04 0.00 -0.87 0.00 0.00 58.31 54.15 1cg7 n LYS 22 Cb 0.53 -1.44 0.02 0.00 0.02 0.00 0.00 35.03 34.17 1cg7 n LYS 22 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1cg7 n ARG 23 N -0.46 0.31 -2.20 1.64 1.74 -1.26 -4.89 116.66 111.54 1cg7 n ARG 23 Ca 0.18 -0.37 -0.01 0.00 -0.77 0.00 0.00 57.85 56.88 1cg7 n ARG 23 Cb 0.90 -0.13 0.00 0.00 -1.02 0.00 0.00 32.46 32.22 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 -3.03 -3.24 -2.09 7.54 0.00 -1.26 -5.02 120.51 113.42 1cg7 n ALA 24 Ca -0.03 0.35 -0.19 0.00 0.00 0.00 0.00 53.44 53.57 1cg7 n ALA 24 Cb 0.09 -0.85 0.01 0.00 0.00 0.00 0.00 19.45 18.70 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 -1.10 3.40 0.37 0.00 1.02 -1.26 -5.05 118.68 116.05 1cg7 s LEU 25 Ca 0.02 -0.66 -0.25 0.00 0.02 0.00 0.00 54.13 53.27 1cg7 s LEU 25 Cb -0.01 -2.17 -0.09 0.00 0.02 0.00 0.00 46.19 43.94 1cg7 s LEU 25 CO 0.45 -0.91 1.01 -0.44 0.02 0.00 0.00 176.35 176.47 1cg7 s SER 26 N -4.38 7.00 0.48 2.29 0.01 -1.26 -4.87 113.70 112.97 1cg7 s SER 26 Ca 0.54 1.95 0.36 0.00 1.31 0.00 0.00 55.95 60.11 1cg7 s SER 26 Cb -0.07 -2.58 1.52 0.00 0.21 0.00 0.00 66.02 65.10 1cg7 s SER 26 CO 0.33 -0.32 1.64 0.00 0.41 0.00 0.00 173.24 175.29 1cg7 h ALA 27 N 2.74 3.09 -0.25 1.44 0.00 -1.93 1.51 119.26 125.85 1cg7 h ALA 27 Ca -0.48 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.40 1cg7 h ALA 27 Cb 1.20 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 1cg7 h ALA 27 CO 0.63 -1.66 -0.14 -0.92 0.00 0.00 0.00 179.25 177.17 1cg7 h TYR 28 N 0.06 0.61 -0.22 0.00 3.20 -1.97 -2.82 116.97 115.83 1cg7 h TYR 28 Ca 0.82 -0.16 0.04 0.00 3.14 0.00 0.00 58.73 62.57 1cg7 h TYR 28 Cb 2.84 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 40.96 1cg7 h TYR 28 CO -0.00 0.80 0.15 0.52 -1.64 0.00 0.00 178.16 177.99 1cg7 h MET 29 N 0.25 0.10 0.21 1.82 2.86 0.18 1.10 114.93 121.45 1cg7 h MET 29 Ca 0.05 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 1cg7 h MET 29 Cb 0.65 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.29 1cg7 h MET 29 CO 0.04 0.07 -0.10 0.74 1.06 0.00 0.00 176.91 178.71 1cg7 h PHE 30 N 0.10 -0.26 0.00 -0.22 -1.00 -1.13 0.63 116.94 115.05 1cg7 h PHE 30 Ca 0.10 -0.01 -0.00 0.00 2.81 0.00 0.00 57.97 60.87 1cg7 h PHE 30 Cb 0.26 0.09 -0.00 0.00 3.61 0.00 0.00 35.95 39.91 1cg7 h PHE 30 CO -0.00 0.09 -0.02 0.35 -1.61 0.00 0.00 178.31 177.12 1cg7 h PHE 31 N -0.67 0.00 0.00 -0.55 3.57 -1.21 -3.26 116.94 114.81 1cg7 h PHE 31 Ca -0.03 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.44 1cg7 h PHE 31 Cb 0.48 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 1cg7 h PHE 31 CO 0.04 0.02 -0.20 0.00 -2.23 0.00 0.00 178.31 175.94 1cg7 h ALA 32 N 1.98 0.04 -1.30 2.41 0.00 0.13 -0.39 119.26 122.13 1cg7 h ALA 32 Ca -0.00 -0.56 0.38 0.00 0.00 0.00 0.00 54.91 54.73 1cg7 h ALA 32 Cb 0.84 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 1cg7 h ALA 32 CO 0.00 0.11 1.13 -0.91 0.00 0.00 0.00 179.25 179.59 1cg7 h ASN 33 N -1.00 0.00 0.06 0.00 -0.26 0.23 1.79 115.58 116.40 1cg7 h ASN 33 Ca -0.05 0.00 -0.37 0.00 -0.56 0.00 0.00 56.30 55.32 1cg7 h ASN 33 Cb 0.95 0.00 -0.06 0.00 -1.06 0.00 0.00 38.32 38.14 1cg7 h ASN 33 CO -0.03 0.00 -2.32 -0.62 -1.06 0.00 0.00 177.43 173.40 1cg7 n GLU 34 N -3.70 0.68 -0.63 0.81 -0.58 -1.23 -4.16 120.64 111.83 1cg7 n GLU 34 Ca 0.29 0.09 -0.02 0.00 -0.42 0.00 0.00 57.16 57.10 1cg7 n GLU 34 Cb 1.54 -1.56 0.21 0.00 -0.57 0.00 0.00 31.44 31.05 1cg7 n GLU 34 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1cg7 n ASN 35 N -2.97 3.81 -1.08 1.62 5.03 0.47 -3.80 115.26 118.34 1cg7 n ASN 35 Ca -0.35 -2.71 0.08 0.00 0.87 0.00 0.00 54.58 52.47 1cg7 n ASN 35 Cb 1.09 -0.65 0.26 0.00 -1.02 0.00 0.00 39.78 39.47 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 0.11 3.23 0.00 3.52 3.00 0.50 -4.34 116.66 122.67 1cg7 n ARG 36 Ca 0.24 -2.61 0.00 0.00 -0.00 0.00 0.00 57.85 55.48 1cg7 n ARG 36 Cb 0.96 -1.68 0.00 0.00 0.00 0.00 0.00 32.46 31.75 1cg7 n ARG 36 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1cg7 n ASP 37 N 0.46 4.28 -0.23 6.15 8.00 -1.25 -3.82 116.55 130.14 1cg7 n ASP 37 Ca 0.20 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.65 1cg7 n ASP 37 Cb 0.74 0.17 0.06 0.00 -0.02 0.00 0.00 41.12 42.07 1cg7 n ASP 37 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1cg7 h ILE 38 N 0.00 1.11 0.13 0.53 5.03 -1.78 1.43 117.51 123.96 1cg7 h ILE 38 Ca 0.00 -0.28 -0.32 0.00 -0.12 0.00 0.00 64.86 64.14 1cg7 h ILE 38 Cb 0.98 0.21 -0.01 0.00 -3.03 0.00 0.00 36.82 34.98 1cg7 h ILE 38 CO 0.00 0.15 -1.66 0.58 -0.68 0.00 0.00 178.15 176.54 1cg7 h VAL 39 N 0.83 0.88 0.00 1.67 2.07 -1.84 -3.23 116.25 116.62 1cg7 h VAL 39 Ca 0.26 -2.39 -0.01 0.00 0.82 0.00 0.00 66.70 65.37 1cg7 h VAL 39 Cb -0.02 2.63 -0.00 0.00 -1.52 0.00 0.00 31.29 32.37 1cg7 h VAL 39 CO -0.09 0.77 -0.06 -0.09 0.02 0.00 0.00 177.57 178.12 1cg7 h ARG 40 N -0.14 0.00 0.01 1.57 2.43 -1.63 0.27 114.38 116.89 1cg7 h ARG 40 Ca -0.35 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 58.62 1cg7 h ARG 40 Cb 1.89 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.43 1cg7 h ARG 40 CO 0.08 0.06 -0.90 1.03 -1.51 0.00 0.00 179.97 178.73 1cg7 h SER 41 N 0.00 0.22 0.29 -3.80 0.87 0.19 -1.04 113.55 110.28 1cg7 h SER 41 Ca -0.00 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 1cg7 h SER 41 Cb 0.17 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1cg7 h SER 41 CO 0.01 1.01 -0.36 -0.62 -0.53 0.00 0.00 176.83 176.33 1cg7 n GLU 42 N -3.62 0.58 -3.03 2.24 1.02 -0.32 -4.29 120.64 113.21 1cg7 n GLU 42 Ca -0.03 -0.36 -0.16 0.00 -0.02 0.00 0.00 57.16 56.59 1cg7 n GLU 42 Cb 0.82 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.75 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 -0.89 -0.38 0.00 1.62 3.02 0.79 -4.92 115.26 114.49 1cg7 n ASN 43 Ca 0.10 -3.18 0.11 0.00 -0.03 0.00 0.00 54.58 51.59 1cg7 n ASN 43 Cb 0.35 0.24 0.60 0.00 -0.61 0.00 0.00 39.78 40.36 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 0.55 0.41 0.06 3.52 -0.04 -0.40 -2.11 135.00 136.99 1cg7 n PRO 44 Ca 0.18 0.06 0.12 0.00 -0.04 0.00 0.00 63.50 63.82 1cg7 n PRO 44 Cb 0.65 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.87 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 -1.23 0.66 -1.78 3.54 -0.08 -1.26 -4.88 116.55 111.51 1cg7 n ASP 45 Ca 0.12 0.21 0.00 0.00 -1.51 0.00 0.00 54.79 53.61 1cg7 n ASP 45 Cb 0.16 -0.09 0.00 0.00 2.34 0.00 0.00 41.12 43.53 1cg7 n ASP 45 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1cg7 n ILE 46 N -2.03 0.00 -3.65 5.18 -5.35 -0.90 -5.16 119.36 107.45 1cg7 n ILE 46 Ca 0.04 0.00 -0.07 0.00 -0.27 0.00 0.00 62.75 62.45 1cg7 n ILE 46 Cb 0.42 -0.47 0.01 0.00 -1.74 0.00 0.00 39.64 37.86 1cg7 n ILE 46 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1cg7 n THR 47 N -0.42 0.00 -0.60 7.28 -2.24 -1.26 -4.99 114.28 112.04 1cg7 n THR 47 Ca 0.00 -0.84 0.47 0.00 -2.27 0.00 0.00 64.05 61.41 1cg7 n THR 47 Cb 0.00 0.69 0.72 0.00 -2.10 0.00 0.00 70.33 69.64 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 -0.37 0.00 -0.30 4.78 7.35 -1.26 0.52 117.46 128.19 1cg7 n PHE 48 Ca -0.04 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.79 1cg7 n PHE 48 Cb 0.40 -0.44 0.30 0.00 0.35 0.00 0.00 39.48 40.09 1cg7 n PHE 48 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 1cg7 h GLY 49 N 0.00 1.39 0.00 7.13 0.00 -1.97 0.11 103.07 109.73 1cg7 h GLY 49 Ca 0.83 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 48.12 1cg7 h GLY 49 CO -0.01 -0.37 0.00 0.61 0.00 0.00 0.00 176.54 176.77 1cg7 n GLN 50 N -5.22 -0.57 -0.05 4.80 0.00 0.19 -4.41 117.38 112.11 1cg7 n GLN 50 Ca 0.22 -0.40 -0.22 0.00 0.00 0.00 0.00 57.00 56.60 1cg7 n GLN 50 Cb 0.69 -0.85 -0.13 0.00 0.00 0.00 0.00 30.24 29.95 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 -0.02 1.66 0.38 -0.39 0.31 0.12 -3.59 118.33 116.79 1cg7 n VAL 51 Ca 0.00 -0.49 0.12 0.00 -0.01 0.00 0.00 64.34 63.96 1cg7 n VAL 51 Cb 0.09 -1.76 0.22 0.00 -0.91 0.00 0.00 33.84 31.48 1cg7 n VAL 51 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1cg7 h GLY 52 N 0.66 0.00 -0.47 2.92 0.00 -0.97 -2.11 103.07 103.09 1cg7 h GLY 52 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1cg7 h GLY 52 CO -0.04 0.00 -0.04 1.17 0.00 0.00 0.00 176.54 177.62 1cg7 n LYS 53 N -2.67 1.59 -0.05 4.80 4.81 -1.20 -3.40 118.16 122.04 1cg7 n LYS 53 Ca 0.04 -0.97 -0.06 0.00 -0.87 0.00 0.00 58.31 56.45 1cg7 n LYS 53 Cb 0.49 -1.48 -0.06 0.00 0.02 0.00 0.00 35.03 34.00 1cg7 n LYS 53 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1cg7 n LYS 54 N 0.14 1.34 0.13 1.64 4.76 -1.15 -4.52 118.16 120.50 1cg7 n LYS 54 Ca 0.18 0.03 0.02 0.00 -2.87 0.00 0.00 58.31 55.67 1cg7 n LYS 54 Cb 0.37 -1.23 0.36 0.00 -1.84 0.00 0.00 35.03 32.70 1cg7 n LYS 54 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1cg7 h LEU 55 N 0.00 0.18 -1.97 -0.35 3.38 -1.49 -2.10 115.31 112.96 1cg7 h LEU 55 Ca -0.25 -0.05 0.14 0.00 0.09 0.00 0.00 57.88 57.81 1cg7 h LEU 55 Cb 1.46 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 42.14 1cg7 h LEU 55 CO -0.01 0.41 0.35 1.23 0.09 0.00 0.00 178.44 180.51 1cg7 h GLY 56 N 0.86 0.05 2.00 0.83 0.00 -1.79 0.47 103.07 105.50 1cg7 h GLY 56 Ca 0.03 -0.01 -0.09 0.00 0.00 0.00 0.00 47.33 47.26 1cg7 h GLY 56 CO 0.03 0.01 -0.43 0.83 0.00 0.00 0.00 176.54 176.98 1cg7 h GLU 57 N 0.03 0.00 0.12 4.80 5.08 -1.64 -2.40 114.58 120.58 1cg7 h GLU 57 Ca 0.24 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.32 1cg7 h GLU 57 Cb 0.90 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.15 1cg7 h GLU 57 CO -0.01 0.43 -1.32 0.87 -1.00 0.00 0.00 179.01 177.98 1cg7 h LYS 58 N 0.00 0.25 0.17 2.33 1.57 -0.22 -1.79 116.57 118.88 1cg7 h LYS 58 Ca -0.00 -0.42 -0.01 0.00 -1.87 0.00 0.00 60.65 58.34 1cg7 h LYS 58 Cb 0.99 0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1cg7 h LYS 58 CO 0.06 1.17 -0.08 2.35 -0.57 0.00 0.00 179.45 182.37 1cg7 h TRP 59 N 0.07 -0.22 0.00 -1.35 2.91 -0.87 1.61 115.95 118.09 1cg7 h TRP 59 Ca -0.16 -0.01 -0.06 0.00 1.13 0.00 0.00 58.89 59.80 1cg7 h TRP 59 Cb 1.98 0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 30.69 1cg7 h TRP 59 CO 0.06 -0.07 -0.28 1.57 -1.03 0.00 0.00 178.44 178.69 1cg7 h LYS 60 N -0.31 0.00 -0.01 2.65 2.10 -1.53 -0.21 116.57 119.26 1cg7 h LYS 60 Ca -0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1cg7 h LYS 60 Cb 0.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.57 1cg7 h LYS 60 CO 0.04 0.28 -0.04 0.00 -2.00 0.00 0.00 179.45 177.72 1cg7 n ALA 61 N -2.42 2.67 1.82 0.07 0.00 -0.67 -3.51 120.51 118.46 1cg7 n ALA 61 Ca -0.02 -0.42 0.09 0.00 0.00 0.00 0.00 53.44 53.09 1cg7 n ALA 61 Cb 0.35 -1.18 0.48 0.00 0.00 0.00 0.00 19.45 19.09 1cg7 n ALA 61 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1cg7 n LEU 62 N -0.05 0.39 -1.22 0.00 4.32 0.54 -4.98 117.00 116.00 1cg7 n LEU 62 Ca 0.18 -0.16 0.12 0.00 -0.02 0.00 0.00 56.01 56.12 1cg7 n LEU 62 Cb 0.34 -0.03 -0.06 0.00 -1.62 0.00 0.00 43.42 42.05 1cg7 n LEU 62 CO 0.18 0.08 -0.46 1.07 -1.22 0.00 0.00 177.39 177.04 1cg7 n THR 63 N -0.51 -0.82 1.50 -5.08 5.66 -1.23 -2.86 114.28 110.93 1cg7 n THR 63 Ca 0.14 0.73 0.12 0.00 -3.05 0.00 0.00 64.05 61.99 1cg7 n THR 63 Cb 0.12 -1.12 0.69 0.00 -1.55 0.00 0.00 70.33 68.47 1cg7 n THR 63 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 1cg7 n PRO 64 N -3.87 0.75 0.04 1.09 -0.04 -1.26 -2.36 135.00 129.35 1cg7 n PRO 64 Ca -0.06 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.37 1cg7 n PRO 64 Cb 0.49 -1.48 -0.08 0.00 -0.04 0.00 0.00 33.50 32.38 1cg7 n PRO 64 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1cg7 h GLU 65 N 0.00 0.00 0.00 0.54 4.39 -2.00 -2.07 114.58 115.45 1cg7 h GLU 65 Ca 0.00 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.36 1cg7 h GLU 65 Cb 0.00 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.59 1cg7 h GLU 65 CO 0.00 0.48 -2.16 0.39 -1.16 0.00 0.00 179.01 176.57 1cg7 n GLU 66 N -3.06 0.67 0.09 2.33 -0.58 -1.03 -4.19 120.64 114.88 1cg7 n GLU 66 Ca -0.08 0.11 -0.01 0.00 -0.42 0.00 0.00 57.16 56.76 1cg7 n GLU 66 Cb 0.89 -1.62 -0.04 0.00 -0.57 0.00 0.00 31.44 30.11 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 -0.37 3.49 3.11 -1.60 -2.95 116.57 118.26 1cg7 h LYS 67 Ca -0.46 0.00 0.07 0.00 -2.81 0.00 0.00 60.65 57.45 1cg7 h LYS 67 Cb 2.15 0.00 -0.09 0.00 -1.00 0.00 0.00 32.23 33.29 1cg7 h LYS 67 CO 0.04 0.60 -0.43 1.96 -2.81 0.00 0.00 179.45 178.82 1cg7 h GLN 68 N 0.00 -0.34 -0.00 1.90 4.20 -1.54 0.84 115.11 120.18 1cg7 h GLN 68 Ca -0.04 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 1cg7 h GLN 68 Cb 1.55 0.08 0.00 0.00 0.30 0.00 0.00 27.48 29.41 1cg7 h GLN 68 CO 0.08 -0.22 -0.03 -1.00 -0.67 0.00 0.00 178.83 176.99 1cg7 h PRO 69 N -0.35 0.02 -0.37 1.46 0.13 -1.77 -2.20 132.00 128.92 1cg7 h PRO 69 Ca 0.13 -0.02 0.07 0.00 -0.87 0.00 0.00 66.00 65.31 1cg7 h PRO 69 Cb 0.59 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 31.64 1cg7 h PRO 69 CO -0.55 0.77 -0.40 1.88 -0.23 0.00 0.00 178.00 179.47 1cg7 h TYR 70 N -0.72 -1.15 -0.37 1.56 0.05 -1.32 0.18 116.97 115.21 1cg7 h TYR 70 Ca -0.00 0.06 -0.04 0.00 0.05 0.00 0.00 58.73 58.80 1cg7 h TYR 70 Cb 0.78 0.56 -0.02 0.00 1.01 0.00 0.00 36.73 39.05 1cg7 h TYR 70 CO 0.19 -0.43 0.06 1.49 -1.05 0.00 0.00 178.16 178.42 1cg7 h GLU 71 N -0.32 0.56 0.00 4.88 4.81 0.59 -0.91 114.58 124.19 1cg7 h GLU 71 Ca 0.14 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1cg7 h GLU 71 Cb 0.58 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 1cg7 h GLU 71 CO -0.55 0.54 -0.01 0.00 -0.73 0.00 0.00 179.01 178.26 1cg7 h ALA 72 N 1.53 1.82 0.09 2.92 0.00 -0.08 0.02 119.26 125.55 1cg7 h ALA 72 Ca 0.12 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.75 1cg7 h ALA 72 Cb 0.26 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.06 1cg7 h ALA 72 CO 0.00 0.01 -1.16 -0.22 0.00 0.00 0.00 179.25 177.88 1cg7 h LYS 73 N 0.00 0.47 0.00 0.00 1.63 0.49 -3.01 116.57 116.15 1cg7 h LYS 73 Ca -0.00 -0.63 0.00 0.00 -0.85 0.00 0.00 60.65 59.17 1cg7 h LYS 73 Cb 0.01 0.21 0.00 0.00 -0.60 0.00 0.00 32.23 31.85 1cg7 h LYS 73 CO 0.00 1.26 0.00 0.00 -3.45 0.00 0.00 179.45 177.26 1cg7 h ALA 74 N 0.49 1.00 0.00 5.00 0.00 -0.62 -1.75 119.26 123.38 1cg7 h ALA 74 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1cg7 h ALA 74 Cb 1.84 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1cg7 h ALA 74 CO 0.21 0.00 0.00 0.37 0.00 0.00 0.00 179.25 179.83 1cg7 h GLN 75 N 0.00 0.00 0.05 0.00 5.75 -0.93 -3.10 115.11 116.88 1cg7 h GLN 75 Ca 0.00 0.00 -0.22 0.00 -0.15 0.00 0.00 58.65 58.28 1cg7 h GLN 75 Cb 0.40 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.93 1cg7 h GLN 75 CO 0.00 0.00 -1.15 0.00 -2.65 0.00 0.00 178.83 175.03 1cg7 h ALA 76 N 2.28 0.19 -0.15 3.38 0.00 -1.41 -3.31 119.26 120.25 1cg7 h ALA 76 Ca 0.00 -1.05 0.04 0.00 0.00 0.00 0.00 54.91 53.90 1cg7 h ALA 76 Cb 0.64 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1cg7 h ALA 76 CO 0.00 0.66 0.33 0.22 0.00 0.00 0.00 179.25 180.47 1cg7 h ASP 77 N -0.67 0.00 0.37 0.00 1.82 -1.53 1.44 116.42 117.85 1cg7 h ASP 77 Ca -0.28 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.36 1cg7 h ASP 77 Cb 1.47 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.48 1cg7 h ASP 77 CO -0.05 0.00 0.00 1.17 -1.61 0.00 0.00 179.24 178.75 1cg7 n LYS 78 N -3.27 0.20 -0.07 0.28 3.00 -1.18 -1.02 118.16 116.10 1cg7 n LYS 78 Ca 0.01 0.14 -0.10 0.00 -0.00 0.00 0.00 58.31 58.37 1cg7 n LYS 78 Cb 0.43 -1.50 -0.07 0.00 0.00 0.00 0.00 35.03 33.89 1cg7 n LYS 78 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1cg7 n LYS 79 N -1.33 0.39 0.10 1.64 5.02 0.49 -4.45 118.16 120.03 1cg7 n LYS 79 Ca 0.07 0.08 0.12 0.00 -2.02 0.00 0.00 58.31 56.56 1cg7 n LYS 79 Cb 0.15 -1.28 0.46 0.00 -0.02 0.00 0.00 35.03 34.33 1cg7 n LYS 79 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1cg7 n ARG 80 N -2.90 0.17 0.14 1.97 3.00 -0.89 -2.08 116.66 116.08 1cg7 n ARG 80 Ca -0.25 0.34 0.12 0.00 -0.01 0.00 0.00 57.85 58.05 1cg7 n ARG 80 Cb 0.77 -1.79 0.25 0.00 0.00 0.00 0.00 32.46 31.68 1cg7 n ARG 80 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.63 176.71 1cg7 h TYR 81 N 0.00 0.00 0.00 -1.55 3.20 -1.29 -3.15 116.97 114.17 1cg7 h TYR 81 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1cg7 h TYR 81 Cb 0.43 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.70 1cg7 h TYR 81 CO 0.00 0.00 -0.04 0.93 -1.64 0.00 0.00 178.16 177.41 1cg7 h GLU 82 N 0.00 0.00 0.03 1.82 5.08 -1.64 -3.00 114.58 116.87 1cg7 h GLU 82 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1cg7 h GLU 82 Cb 0.85 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.10 1cg7 h GLU 82 CO 0.00 0.00 -0.02 0.77 -1.00 0.00 0.00 179.01 178.76 1cg7 h SER 83 N 0.00 -0.04 -0.05 1.42 0.02 -1.64 0.26 113.55 113.51 1cg7 h SER 83 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1cg7 h SER 83 Cb 0.92 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.47 1cg7 h SER 83 CO 0.00 -0.03 -0.01 -0.33 -1.14 0.00 0.00 176.83 175.32 1cg7 h GLU 84 N -0.04 0.19 0.00 3.45 4.39 -1.75 -0.25 114.58 120.57 1cg7 h GLU 84 Ca -0.00 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.63 1cg7 h GLU 84 Cb 0.03 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1cg7 h GLU 84 CO 0.00 0.23 -0.18 -0.22 -1.16 0.00 0.00 179.01 177.69 1cg7 h LYS 85 N 0.19 0.00 0.01 2.33 3.11 -1.38 -2.18 116.57 118.65 1cg7 h LYS 85 Ca 0.05 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.89 1cg7 h LYS 85 Cb 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.39 1cg7 h LYS 85 CO 0.00 0.18 -0.00 1.49 -2.81 0.00 0.00 179.45 178.31 1cg7 h GLU 86 N 0.00 -0.01 -0.26 1.90 4.81 0.14 0.61 114.58 121.77 1cg7 h GLU 86 Ca -0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1cg7 h GLU 86 Cb 0.34 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1cg7 h GLU 86 CO 0.02 -0.01 0.12 -0.07 -0.73 0.00 0.00 179.01 178.35 1cg7 h LEU 87 N -0.01 0.34 0.55 1.64 4.07 -1.49 -0.43 115.31 119.98 1cg7 h LEU 87 Ca -0.00 -0.12 -0.02 0.00 0.08 0.00 0.00 57.88 57.82 1cg7 h LEU 87 Cb 0.01 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.66 1cg7 h LEU 87 CO 0.00 0.36 -0.36 0.22 -1.08 0.00 0.00 178.44 177.59 1cg7 h TYR 88 N 0.28 -0.95 -0.59 1.13 3.20 -1.14 0.03 116.97 118.93 1cg7 h TYR 88 Ca 0.09 -0.01 0.17 0.00 3.14 0.00 0.00 58.73 62.12 1cg7 h TYR 88 Cb 0.12 0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 1cg7 h TYR 88 CO -0.02 -0.54 0.43 -0.97 -1.64 0.00 0.00 178.16 175.41 1cg7 h ASN 89 N -0.87 0.00 1.15 -2.11 -1.24 0.28 1.23 115.58 114.02 1cg7 h ASN 89 Ca -0.06 0.00 -0.06 0.00 0.71 0.00 0.00 56.30 56.88 1cg7 h ASN 89 Cb 0.72 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.76 1cg7 h ASN 89 CO 0.05 0.00 -0.29 0.00 -1.29 0.00 0.00 177.43 175.90 1cg7 h ALA 90 N 1.70 0.92 -0.02 1.57 0.00 0.00 -2.43 119.26 121.01 1cg7 h ALA 90 Ca 0.28 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1cg7 h ALA 90 Cb 1.13 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1cg7 h ALA 90 CO -0.00 0.37 0.00 -2.37 0.00 0.00 0.00 179.25 177.24 1cg7 n THR 91 N -3.33 0.02 -2.91 0.00 5.66 0.42 -4.66 114.28 109.47 1cg7 n THR 91 Ca 0.01 -0.11 -0.43 0.00 -3.05 0.00 0.00 64.05 60.47 1cg7 n THR 91 Cb 0.52 -0.09 -0.04 0.00 -1.55 0.00 0.00 70.33 69.18 1cg7 n THR 91 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1cg7 s LEU 92 N -1.90 4.62 0.00 1.09 1.43 -0.92 -5.07 118.68 117.93 1cg7 s LEU 92 Ca 0.41 -1.12 0.00 0.00 -1.03 0.00 0.00 54.13 52.38 1cg7 s LEU 92 Cb 0.20 -2.39 0.00 0.00 0.03 0.00 0.00 46.19 44.03 1cg7 s LEU 92 CO 0.33 -1.36 0.00 0.00 0.23 0.00 0.00 176.35 175.54