#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 0.00 -0.26 2.03 0.11 -1.26 -5.12 120.40 115.90 1cg7 s VAL 2 Ca 0.00 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 58.76 1cg7 s VAL 2 Cb 0.00 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.83 1cg7 s VAL 2 CO 0.00 0.00 1.68 0.42 -3.33 0.00 0.00 175.10 173.87 1cg7 s THR 3 N -0.99 3.62 0.61 5.04 -4.23 -1.26 -4.99 115.64 113.44 1cg7 s THR 3 Ca -0.03 0.67 -0.10 0.00 -1.18 0.00 0.00 61.69 61.05 1cg7 s THR 3 Cb -0.01 -3.69 0.15 0.00 1.34 0.00 0.00 72.50 70.29 1cg7 s THR 3 CO 0.02 -0.35 0.67 -0.81 -0.54 0.00 0.00 174.62 173.62 1cg7 n PRO 4 N 7.94 -1.45 -3.78 3.99 -0.04 -1.26 -5.11 135.00 135.28 1cg7 n PRO 4 Ca 0.20 -1.06 -0.09 0.00 -0.04 0.00 0.00 63.50 62.51 1cg7 n PRO 4 Cb 0.46 -0.83 -0.04 0.00 -0.04 0.00 0.00 33.50 33.04 1cg7 n PRO 4 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1cg7 s ARG 5 N -4.50 1.42 -0.29 0.54 0.52 -1.26 -5.17 118.95 110.21 1cg7 s ARG 5 Ca 0.41 -0.93 -0.16 0.00 -0.52 0.00 0.00 55.73 54.53 1cg7 s ARG 5 Cb -0.02 0.52 0.16 0.00 0.52 0.00 0.00 34.95 36.13 1cg7 s ARG 5 CO 0.30 -0.60 1.05 -1.21 0.02 0.00 0.00 175.30 174.85 1cg7 s GLU 6 N -3.90 0.29 1.08 3.54 2.02 -1.26 -5.18 118.70 115.30 1cg7 s GLU 6 Ca 0.11 0.52 -0.18 0.00 0.02 0.00 0.00 54.97 55.44 1cg7 s GLU 6 Cb -0.01 0.09 0.26 0.00 0.10 0.00 0.00 34.13 34.57 1cg7 s GLU 6 CO -0.01 -0.06 1.19 -0.35 0.02 0.00 0.00 175.26 176.05 1cg7 n PRO 7 N 3.68 -2.17 0.20 0.39 -0.04 -1.26 -5.02 135.00 130.78 1cg7 n PRO 7 Ca -0.17 -1.87 0.00 0.00 -0.04 0.00 0.00 63.50 61.42 1cg7 n PRO 7 Cb 0.57 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 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 -4.26 0.00 0.00 0.54 3.00 -1.26 -5.16 118.16 111.02 1cg7 n LYS 8 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.47 1cg7 n LYS 8 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.60 1cg7 n LYS 8 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1cg7 n LYS 9 N -3.34 0.00 -2.02 1.64 2.85 -1.26 -4.97 118.16 111.07 1cg7 n LYS 9 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1cg7 n LYS 9 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1cg7 n LYS 9 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1cg7 n ARG 10 N -0.47 -5.49 -3.83 -1.58 1.74 -1.26 -5.09 116.66 100.68 1cg7 n ARG 10 Ca 0.00 3.90 -0.06 0.00 -0.77 0.00 0.00 57.85 60.92 1cg7 n ARG 10 Cb 0.00 -4.19 -0.01 0.00 -1.02 0.00 0.00 32.46 27.23 1cg7 n ARG 10 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 1cg7 s THR 11 N -0.66 0.00 0.39 0.55 -1.32 -1.26 -5.19 115.64 108.15 1cg7 s THR 11 Ca 0.00 -0.92 0.00 0.00 -1.21 0.00 0.00 61.69 59.56 1cg7 s THR 11 Cb 0.00 -2.09 0.00 0.00 -1.51 0.00 0.00 72.50 68.91 1cg7 s THR 11 CO 0.00 0.00 0.04 1.07 -2.21 0.00 0.00 174.62 173.52 1cg7 n THR 12 N -0.47 0.00 -3.54 5.08 5.66 -1.26 -5.15 114.28 114.60 1cg7 n THR 12 Ca -0.05 -1.82 0.00 0.00 -3.05 0.00 0.00 64.05 59.13 1cg7 n THR 12 Cb 0.59 0.31 -0.04 0.00 -1.55 0.00 0.00 70.33 69.64 1cg7 n THR 12 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 1cg7 s ARG 13 N -3.45 0.45 0.00 1.09 3.52 -1.26 -5.15 118.95 114.15 1cg7 s ARG 13 Ca 0.03 1.12 0.00 0.00 -0.13 0.00 0.00 55.73 56.75 1cg7 s ARG 13 Cb -0.00 0.67 0.00 0.00 -1.56 0.00 0.00 34.95 34.05 1cg7 s ARG 13 CO 0.02 -0.15 0.00 1.63 -0.81 0.00 0.00 175.30 175.99 1cg7 n LYS 14 N 5.21 0.00 -3.60 5.12 5.02 -1.26 -5.15 118.16 123.50 1cg7 n LYS 14 Ca -0.11 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.01 1cg7 n LYS 14 Cb 0.51 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 35.38 1cg7 n LYS 14 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1cg7 s LYS 15 N 0.00 0.12 -0.29 1.97 2.47 -1.26 -5.13 119.74 117.62 1cg7 s LYS 15 Ca 0.00 0.46 -0.22 0.00 -1.56 0.00 0.00 55.97 54.65 1cg7 s LYS 15 Cb 0.00 -0.60 0.14 0.00 -1.46 0.00 0.00 37.83 35.91 1cg7 s LYS 15 CO 0.00 -0.44 1.07 0.21 0.16 0.00 0.00 175.35 176.35 1cg7 s LYS 16 N 2.33 0.39 0.00 4.03 2.36 -1.26 -5.18 119.74 122.41 1cg7 s LYS 16 Ca 0.04 0.53 0.00 0.00 -2.55 0.00 0.00 55.97 53.99 1cg7 s LYS 16 Cb -0.13 0.15 0.00 0.00 -1.05 0.00 0.00 37.83 36.80 1cg7 s LYS 16 CO -0.09 -0.06 0.00 -0.25 1.55 0.00 0.00 175.35 176.50 1cg7 n ASP 17 N 2.68 0.00 -3.25 1.43 9.92 -1.26 -5.17 116.55 120.90 1cg7 n ASP 17 Ca -0.14 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.12 1cg7 n ASP 17 Cb 0.57 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.05 1cg7 n ASP 17 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1cg7 n PRO 18 N -0.15 1.09 -1.52 -0.24 -0.04 -1.26 -4.76 135.00 128.12 1cg7 n PRO 18 Ca 0.00 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.18 1cg7 n PRO 18 Cb 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.37 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 2.08 -4.11 3.54 6.94 -1.26 -4.80 115.26 117.65 1cg7 n ASN 19 Ca 0.00 -2.60 -0.09 0.00 -0.02 0.00 0.00 54.58 51.88 1cg7 n ASN 19 Cb 0.00 -1.45 -0.10 0.00 -2.36 0.00 0.00 39.78 35.87 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 11.69 0.64 -0.05 -2.53 0.00 -1.26 -3.69 121.76 126.56 1cg7 s ALA 20 Ca 0.71 -1.19 -0.30 0.00 0.00 0.00 0.00 51.96 51.19 1cg7 s ALA 20 Cb 0.03 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.32 1cg7 s ALA 20 CO 0.19 -0.29 1.22 -1.25 0.00 0.00 0.00 175.76 175.62 1cg7 s PRO 21 N -3.60 4.35 -0.89 0.00 0.04 -1.26 -4.91 135.00 128.73 1cg7 s PRO 21 Ca 0.06 1.70 -0.08 0.00 0.04 0.00 0.00 61.00 62.72 1cg7 s PRO 21 Cb 0.05 -3.55 -0.16 0.00 0.04 0.00 0.00 34.50 30.87 1cg7 s PRO 21 CO -0.07 -0.45 3.17 1.17 0.04 0.00 0.00 177.00 180.86 1cg7 n LYS 22 N 5.18 2.87 -2.81 4.56 0.00 -1.26 -4.73 118.16 121.96 1cg7 n LYS 22 Ca 0.11 -1.63 -0.03 0.00 0.00 0.00 0.00 58.31 56.76 1cg7 n LYS 22 Cb 0.46 -2.43 -0.03 0.00 0.00 0.00 0.00 35.03 33.03 1cg7 n LYS 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1cg7 n ARG 23 N 3.14 -3.19 -1.74 1.64 1.74 -1.26 -4.62 116.66 112.38 1cg7 n ARG 23 Ca 0.61 2.52 -0.67 0.00 -0.77 0.00 0.00 57.85 59.54 1cg7 n ARG 23 Cb 0.51 -3.31 -0.10 0.00 -1.02 0.00 0.00 32.46 28.55 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 2.01 -1.35 -0.95 7.54 0.00 -1.26 -4.79 120.51 121.72 1cg7 n ALA 24 Ca -0.24 0.49 -0.36 0.00 0.00 0.00 0.00 53.44 53.33 1cg7 n ALA 24 Cb 0.38 -1.94 0.06 0.00 0.00 0.00 0.00 19.45 17.95 1cg7 n ALA 24 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1cg7 n LEU 25 N 4.02 -4.23 -4.94 0.00 4.32 -1.26 -4.96 117.00 109.95 1cg7 n LEU 25 Ca 0.30 0.13 -0.23 0.00 -0.02 0.00 0.00 56.01 56.19 1cg7 n LEU 25 Cb -0.04 -0.77 -0.03 0.00 -1.62 0.00 0.00 43.42 40.96 1cg7 n LEU 25 CO 0.88 -4.62 -0.08 -0.44 -1.22 0.00 0.00 177.39 171.91 1cg7 s SER 26 N -1.20 6.23 0.57 -1.43 0.01 -1.26 -4.95 113.70 111.67 1cg7 s SER 26 Ca 0.42 0.08 0.36 0.00 1.31 0.00 0.00 55.95 58.12 1cg7 s SER 26 Cb -0.11 -1.83 1.43 0.00 0.21 0.00 0.00 66.02 65.73 1cg7 s SER 26 CO 0.75 -0.01 1.64 0.00 0.41 0.00 0.00 173.24 176.03 1cg7 h ALA 27 N 1.63 3.11 -0.16 1.44 0.00 -1.91 0.95 119.26 124.32 1cg7 h ALA 27 Ca -0.50 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 1cg7 h ALA 27 Cb 1.22 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1cg7 h ALA 27 CO 0.64 -1.65 0.01 -0.92 0.00 0.00 0.00 179.25 177.33 1cg7 h TYR 28 N 0.00 0.30 -0.02 0.00 3.20 -1.96 -2.58 116.97 115.90 1cg7 h TYR 28 Ca 0.58 -0.05 -0.06 0.00 3.14 0.00 0.00 58.73 62.34 1cg7 h TYR 28 Cb 2.62 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 40.80 1cg7 h TYR 28 CO 0.00 0.47 -0.26 0.52 -1.64 0.00 0.00 178.16 177.25 1cg7 h MET 29 N 0.04 0.04 -0.48 1.82 2.86 0.53 0.24 114.93 119.99 1cg7 h MET 29 Ca 0.05 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.65 1cg7 h MET 29 Cb 0.34 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 1cg7 h MET 29 CO 0.01 0.30 0.19 0.74 1.06 0.00 0.00 176.91 179.20 1cg7 h PHE 30 N 0.04 0.73 0.00 -0.22 -1.00 -1.10 1.07 116.94 116.46 1cg7 h PHE 30 Ca 0.00 -0.06 -0.15 0.00 2.81 0.00 0.00 57.97 60.58 1cg7 h PHE 30 Cb 0.48 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 39.80 1cg7 h PHE 30 CO 0.00 0.62 -0.89 0.35 -1.61 0.00 0.00 178.31 176.78 1cg7 h PHE 31 N 0.63 0.00 0.02 -0.55 3.57 -1.16 -3.31 116.94 116.14 1cg7 h PHE 31 Ca 0.16 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.56 1cg7 h PHE 31 Cb 0.20 0.00 0.01 0.00 2.79 0.00 0.00 35.95 38.95 1cg7 h PHE 31 CO 0.00 0.64 -0.41 0.00 -2.23 0.00 0.00 178.31 176.31 1cg7 h ALA 32 N 1.36 0.02 -0.41 2.41 0.00 -0.31 0.43 119.26 122.76 1cg7 h ALA 32 Ca -0.06 -0.53 0.12 0.00 0.00 0.00 0.00 54.91 54.44 1cg7 h ALA 32 Cb 1.54 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 1cg7 h ALA 32 CO 0.07 0.20 0.59 -0.91 0.00 0.00 0.00 179.25 179.20 1cg7 h ASN 33 N -0.41 0.00 0.00 0.00 2.35 0.11 1.43 115.58 119.06 1cg7 h ASN 33 Ca -0.06 0.00 -0.35 0.00 -0.55 0.00 0.00 56.30 55.34 1cg7 h ASN 33 Cb 1.19 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.50 1cg7 h ASN 33 CO 0.08 0.00 -2.33 -0.62 -1.65 0.00 0.00 177.43 172.91 1cg7 n GLU 34 N -3.39 0.70 -0.85 0.81 -0.58 -1.17 -4.33 120.64 111.82 1cg7 n GLU 34 Ca 0.08 0.10 -0.15 0.00 -0.42 0.00 0.00 57.16 56.76 1cg7 n GLU 34 Cb 0.75 -1.48 0.14 0.00 -0.57 0.00 0.00 31.44 30.29 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 -3.05 3.61 -0.02 1.62 5.03 0.15 -4.00 115.26 118.59 1cg7 n ASN 35 Ca -0.39 -3.10 0.12 0.00 0.87 0.00 0.00 54.58 52.08 1cg7 n ASN 35 Cb 0.99 -0.73 0.20 0.00 -1.02 0.00 0.00 39.78 39.22 1cg7 n ASN 35 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1cg7 n ARG 36 N -0.57 0.08 -0.02 3.52 5.12 0.46 -3.95 116.66 121.29 1cg7 n ARG 36 Ca 0.41 -0.05 0.01 0.00 -1.93 0.00 0.00 57.85 56.28 1cg7 n ARG 36 Cb 1.30 -1.50 -0.07 0.00 -1.16 0.00 0.00 32.46 31.03 1cg7 n ARG 36 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1cg7 n ASP 37 N -1.42 2.90 -0.35 0.55 8.00 -1.26 -3.96 116.55 121.02 1cg7 n ASP 37 Ca 0.06 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.53 1cg7 n ASP 37 Cb 0.34 1.11 0.09 0.00 -0.02 0.00 0.00 41.12 42.64 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 1.25 0.11 0.53 5.03 -1.78 0.39 117.51 123.03 1cg7 h ILE 38 Ca -0.10 -0.49 -0.17 0.00 -0.12 0.00 0.00 64.86 63.98 1cg7 h ILE 38 Cb 0.91 -0.09 0.02 0.00 -3.03 0.00 0.00 36.82 34.62 1cg7 h ILE 38 CO 0.01 0.25 -0.72 0.58 -0.68 0.00 0.00 178.15 177.59 1cg7 h VAL 39 N 1.27 1.52 -0.83 1.67 2.07 -1.80 -3.26 116.25 116.89 1cg7 h VAL 39 Ca 0.34 -2.44 0.12 0.00 0.82 0.00 0.00 66.70 65.54 1cg7 h VAL 39 Cb -0.11 3.11 -0.06 0.00 -1.52 0.00 0.00 31.29 32.72 1cg7 h VAL 39 CO -0.07 0.69 0.54 0.03 0.02 0.00 0.00 177.57 178.78 1cg7 h ARG 40 N -0.37 0.67 -0.92 1.57 3.08 -1.62 0.28 114.38 117.06 1cg7 h ARG 40 Ca -0.12 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 59.91 1cg7 h ARG 40 Cb 1.54 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 31.39 1cg7 h ARG 40 CO 0.14 0.44 0.61 1.03 -1.07 0.00 0.00 179.97 181.12 1cg7 h SER 41 N 0.69 1.05 0.39 7.04 0.87 -0.28 1.27 113.55 124.57 1cg7 h SER 41 Ca 0.40 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.94 1cg7 h SER 41 Cb 0.59 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 1cg7 h SER 41 CO -0.17 0.75 -0.24 -0.62 -0.53 0.00 0.00 176.83 176.02 1cg7 n GLU 42 N -4.41 0.56 -2.97 2.24 -0.58 0.28 -4.22 120.64 111.54 1cg7 n GLU 42 Ca 0.11 -0.27 -0.14 0.00 -0.42 0.00 0.00 57.16 56.44 1cg7 n GLU 42 Cb 0.04 -1.49 0.02 0.00 -0.57 0.00 0.00 31.44 29.43 1cg7 n GLU 42 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1cg7 n ASN 43 N -0.98 -0.91 0.00 1.62 3.02 0.71 -4.93 115.26 113.78 1cg7 n ASN 43 Ca 0.11 -3.25 0.12 0.00 -0.03 0.00 0.00 54.58 51.53 1cg7 n ASN 43 Cb 0.32 0.62 0.69 0.00 -0.61 0.00 0.00 39.78 40.81 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 0.68 0.70 0.04 3.52 -0.04 0.42 -2.05 135.00 138.26 1cg7 n PRO 44 Ca 0.15 0.01 0.12 0.00 -0.04 0.00 0.00 63.50 63.74 1cg7 n PRO 44 Cb 0.65 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.76 1cg7 n PRO 44 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1cg7 n ASP 45 N -1.03 0.63 -2.06 3.54 9.92 -1.26 -4.91 116.55 121.37 1cg7 n ASP 45 Ca 0.17 -0.06 -0.01 0.00 -0.53 0.00 0.00 54.79 54.37 1cg7 n ASP 45 Cb 0.09 0.35 -0.00 0.00 -0.64 0.00 0.00 41.12 40.92 1cg7 n ASP 45 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 1cg7 n ILE 46 N -1.92 0.00 -3.88 0.53 -5.35 -0.87 -5.17 119.36 102.70 1cg7 n ILE 46 Ca 0.03 -0.05 -0.11 0.00 -0.27 0.00 0.00 62.75 62.36 1cg7 n ILE 46 Cb 0.41 -0.32 0.01 0.00 -1.74 0.00 0.00 39.64 38.00 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 -0.36 0.00 -0.57 7.28 -2.24 -1.26 -5.00 114.28 112.13 1cg7 n THR 47 Ca -0.00 -1.28 0.44 0.00 -2.27 0.00 0.00 64.05 60.93 1cg7 n THR 47 Cb 0.01 1.02 0.69 0.00 -2.10 0.00 0.00 70.33 69.95 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 -0.54 0.16 -0.33 4.78 7.35 -1.26 0.24 117.46 127.85 1cg7 n PHE 48 Ca -0.05 0.16 0.16 0.00 -0.76 0.00 0.00 57.45 56.96 1cg7 n PHE 48 Cb 0.58 -0.59 0.32 0.00 0.35 0.00 0.00 39.48 40.14 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 1.36 0.00 7.13 0.00 -1.98 0.21 103.07 109.79 1cg7 h GLY 49 Ca 0.81 0.11 0.00 0.00 0.00 0.00 0.00 47.33 48.25 1cg7 h GLY 49 CO -0.11 -0.53 0.00 0.61 0.00 0.00 0.00 176.54 176.50 1cg7 n GLN 50 N -5.44 0.00 -0.00 4.80 0.00 0.14 -4.53 117.38 112.34 1cg7 n GLN 50 Ca 0.24 -0.52 -0.22 0.00 0.00 0.00 0.00 57.00 56.50 1cg7 n GLN 50 Cb 0.81 -0.82 -0.14 0.00 0.00 0.00 0.00 30.24 30.09 1cg7 n GLN 50 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1cg7 h VAL 51 N 0.54 0.73 -0.00 -0.39 2.07 0.13 -3.19 116.25 116.14 1cg7 h VAL 51 Ca 0.00 -2.34 0.00 0.00 0.82 0.00 0.00 66.70 65.18 1cg7 h VAL 51 Cb 0.31 2.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.59 1cg7 h VAL 51 CO 0.00 0.80 -0.12 0.61 0.02 0.00 0.00 177.57 178.88 1cg7 n GLY 52 N 1.88 -1.41 0.98 2.17 0.00 -0.01 -2.04 105.19 106.75 1cg7 n GLY 52 Ca -0.31 -0.17 0.09 0.00 0.00 0.00 0.00 46.02 45.64 1cg7 n GLY 52 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1cg7 n LYS 53 N -1.47 2.55 -0.01 1.61 4.81 -1.25 -4.39 118.16 120.02 1cg7 n LYS 53 Ca 0.07 -2.24 -0.01 0.00 -0.87 0.00 0.00 58.31 55.26 1cg7 n LYS 53 Cb 0.33 -1.42 -0.01 0.00 0.02 0.00 0.00 35.03 33.95 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 1.13 0.04 -0.28 1.64 4.76 -1.14 -4.64 118.16 119.68 1cg7 n LYS 54 Ca 0.17 0.01 0.23 0.00 -2.87 0.00 0.00 58.31 55.85 1cg7 n LYS 54 Cb 0.52 -1.00 0.54 0.00 -1.84 0.00 0.00 35.03 33.25 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 0.36 -1.91 -0.35 3.38 -1.62 0.64 115.31 115.80 1cg7 h LEU 55 Ca -0.04 0.05 0.20 0.00 0.09 0.00 0.00 57.88 58.18 1cg7 h LEU 55 Cb 1.06 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 1cg7 h LEU 55 CO -0.01 0.11 0.52 1.23 0.09 0.00 0.00 178.44 180.38 1cg7 h GLY 56 N 0.34 0.15 1.93 0.83 0.00 -1.82 0.61 103.07 105.11 1cg7 h GLY 56 Ca 0.52 -0.03 -0.14 0.00 0.00 0.00 0.00 47.33 47.68 1cg7 h GLY 56 CO -0.20 0.00 -0.65 0.83 0.00 0.00 0.00 176.54 176.52 1cg7 h GLU 57 N 0.08 0.07 0.07 4.80 5.08 -0.01 -2.46 114.58 122.20 1cg7 h GLU 57 Ca 0.36 -0.05 -0.25 0.00 -1.00 0.00 0.00 59.36 58.42 1cg7 h GLU 57 Cb 1.31 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1cg7 h GLU 57 CO -0.03 0.69 -1.09 0.87 -1.00 0.00 0.00 179.01 178.45 1cg7 h LYS 58 N 0.05 0.30 0.26 2.33 1.57 0.08 -1.94 116.57 119.22 1cg7 h LYS 58 Ca -0.01 -0.41 -0.01 0.00 -1.87 0.00 0.00 60.65 58.35 1cg7 h LYS 58 Cb 1.16 0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.61 1cg7 h LYS 58 CO 0.09 1.14 -0.12 2.35 -0.57 0.00 0.00 179.45 182.34 1cg7 h TRP 59 N 0.13 -0.32 0.00 -1.35 2.91 -0.68 1.55 115.95 118.19 1cg7 h TRP 59 Ca -0.10 -0.01 -0.04 0.00 1.13 0.00 0.00 58.89 59.87 1cg7 h TRP 59 Cb 1.78 0.11 -0.01 0.00 -0.51 0.00 0.00 29.16 30.53 1cg7 h TRP 59 CO 0.06 -0.19 -0.17 1.57 -1.03 0.00 0.00 178.44 178.67 1cg7 h LYS 60 N -0.36 0.00 -0.52 2.65 2.10 -1.50 0.11 116.57 119.04 1cg7 h LYS 60 Ca -0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 1cg7 h LYS 60 Cb 0.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.60 1cg7 h LYS 60 CO 0.06 0.17 0.00 0.00 -2.00 0.00 0.00 179.45 177.68 1cg7 n ALA 61 N -2.44 2.42 1.83 0.07 0.00 -0.56 -3.92 120.51 117.91 1cg7 n ALA 61 Ca -0.02 -0.96 0.09 0.00 0.00 0.00 0.00 53.44 52.56 1cg7 n ALA 61 Cb 0.25 -0.96 0.51 0.00 0.00 0.00 0.00 19.45 19.25 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 1.12 0.38 -1.20 0.00 7.94 0.52 -4.96 117.00 120.80 1cg7 n LEU 62 Ca 0.19 -0.16 0.11 0.00 -1.11 0.00 0.00 56.01 55.04 1cg7 n LEU 62 Cb 0.48 -0.02 -0.06 0.00 0.53 0.00 0.00 43.42 44.34 1cg7 n LEU 62 CO 0.13 0.08 -0.45 1.07 -1.11 0.00 0.00 177.39 177.11 1cg7 n THR 63 N -0.54 -0.80 1.39 1.96 5.66 -1.25 -2.83 114.28 117.87 1cg7 n THR 63 Ca 0.14 0.71 0.12 0.00 -3.05 0.00 0.00 64.05 61.97 1cg7 n THR 63 Cb 0.12 -1.08 0.68 0.00 -1.55 0.00 0.00 70.33 68.50 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 -3.85 0.63 0.09 1.09 -0.04 -1.26 -1.77 135.00 129.89 1cg7 n PRO 64 Ca -0.06 0.02 0.04 0.00 -0.04 0.00 0.00 63.50 63.46 1cg7 n PRO 64 Cb 0.48 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.42 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 -2.32 114.58 115.19 1cg7 h GLU 65 Ca 0.00 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.46 1cg7 h GLU 65 Cb 0.06 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.66 1cg7 h GLU 65 CO 0.00 0.25 -2.05 0.39 -1.16 0.00 0.00 179.01 176.44 1cg7 n GLU 66 N -2.94 1.21 0.08 2.33 -0.58 -1.00 -4.38 120.64 115.36 1cg7 n GLU 66 Ca -0.04 -0.03 -0.03 0.00 -0.42 0.00 0.00 57.16 56.64 1cg7 n GLU 66 Cb 0.72 -1.41 -0.07 0.00 -0.57 0.00 0.00 31.44 30.11 1cg7 n GLU 66 CO 0.00 0.00 0.00 1.57 -0.48 0.00 0.00 177.13 178.22 1cg7 h LYS 67 N 0.00 0.00 -0.39 3.49 5.09 -1.45 -2.92 116.57 120.39 1cg7 h LYS 67 Ca -0.36 0.00 0.07 0.00 0.09 0.00 0.00 60.65 60.45 1cg7 h LYS 67 Cb 1.78 0.00 -0.09 0.00 0.10 0.00 0.00 32.23 34.03 1cg7 h LYS 67 CO 0.02 0.70 -0.42 1.96 -2.09 0.00 0.00 179.45 179.61 1cg7 h GLN 68 N 0.00 -0.32 0.02 0.07 4.20 -1.62 1.16 115.11 118.62 1cg7 h GLN 68 Ca -0.05 0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 1cg7 h GLN 68 Cb 1.63 0.07 0.00 0.00 0.30 0.00 0.00 27.48 29.49 1cg7 h GLN 68 CO 0.09 -0.21 -0.01 -1.00 -0.67 0.00 0.00 178.83 177.03 1cg7 h PRO 69 N -0.33 -0.02 -0.05 1.46 0.13 -1.80 -1.82 132.00 129.56 1cg7 h PRO 69 Ca 0.14 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.29 1cg7 h PRO 69 Cb 0.58 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 31.66 1cg7 h PRO 69 CO -0.56 0.68 -0.53 1.88 -0.23 0.00 0.00 178.00 179.23 1cg7 h TYR 70 N -0.78 -1.55 -0.58 1.56 0.05 -1.30 1.00 116.97 115.37 1cg7 h TYR 70 Ca -0.00 0.05 -0.00 0.00 0.05 0.00 0.00 58.73 58.83 1cg7 h TYR 70 Cb 0.71 0.68 -0.03 0.00 1.01 0.00 0.00 36.73 39.11 1cg7 h TYR 70 CO 0.18 -0.56 0.36 1.49 -1.05 0.00 0.00 178.16 178.57 1cg7 h GLU 71 N -0.63 0.78 0.00 4.88 4.81 0.12 0.33 114.58 124.86 1cg7 h GLU 71 Ca 0.02 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1cg7 h GLU 71 Cb 0.71 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.92 1cg7 h GLU 71 CO -0.39 0.54 -0.01 0.00 -0.73 0.00 0.00 179.01 178.43 1cg7 h ALA 72 N 1.60 1.70 0.06 2.92 0.00 -0.22 -0.43 119.26 124.89 1cg7 h ALA 72 Ca 0.21 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.86 1cg7 h ALA 72 Cb -0.04 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.77 1cg7 h ALA 72 CO -0.04 0.01 -1.04 -0.22 0.00 0.00 0.00 179.25 177.96 1cg7 h LYS 73 N 0.00 0.60 0.00 0.00 1.63 0.13 -3.04 116.57 115.90 1cg7 h LYS 73 Ca -0.00 -0.72 0.00 0.00 -0.85 0.00 0.00 60.65 59.08 1cg7 h LYS 73 Cb 0.01 0.22 0.00 0.00 -0.60 0.00 0.00 32.23 31.87 1cg7 h LYS 73 CO 0.00 1.31 0.00 0.00 -3.45 0.00 0.00 179.45 177.31 1cg7 h ALA 74 N 0.32 1.00 0.00 5.00 0.00 -0.67 -0.19 119.26 124.73 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 1.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1cg7 h ALA 74 CO 0.20 0.00 0.00 0.37 0.00 0.00 0.00 179.25 179.82 1cg7 h GLN 75 N 0.00 0.00 0.06 0.00 5.75 -1.04 -3.17 115.11 116.70 1cg7 h GLN 75 Ca 0.00 0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.39 1cg7 h GLN 75 Cb 0.28 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.84 1cg7 h GLN 75 CO 0.00 0.00 -0.54 0.00 -2.65 0.00 0.00 178.83 175.64 1cg7 h ALA 76 N 2.29 0.02 0.00 3.38 0.00 -1.08 -3.23 119.26 120.64 1cg7 h ALA 76 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1cg7 h ALA 76 Cb 0.67 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1cg7 h ALA 76 CO 0.00 0.28 0.18 -0.44 0.00 0.00 0.00 179.25 179.27 1cg7 h ASP 77 N -0.72 0.00 -0.63 0.00 5.19 -1.54 0.54 116.42 119.26 1cg7 h ASP 77 Ca -0.11 0.00 0.18 0.00 -0.62 0.00 0.00 57.03 56.48 1cg7 h ASP 77 Cb 1.32 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.81 1cg7 h ASP 77 CO 0.03 0.00 0.53 0.50 -3.12 0.00 0.00 179.24 177.18 1cg7 h LYS 78 N 0.00 0.00 0.07 3.56 3.64 -1.56 0.28 116.57 122.56 1cg7 h LYS 78 Ca 0.00 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.18 1cg7 h LYS 78 Cb 0.35 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1cg7 h LYS 78 CO 0.00 0.00 -1.04 -0.22 -2.27 0.00 0.00 179.45 175.92 1cg7 h LYS 79 N 0.00 0.15 -0.80 1.90 3.64 -1.10 -3.35 116.57 117.01 1cg7 h LYS 79 Ca 0.30 -0.26 0.13 0.00 -1.27 0.00 0.00 60.65 59.55 1cg7 h LYS 79 Cb 1.36 0.10 -0.09 0.00 -0.41 0.00 0.00 32.23 33.18 1cg7 h LYS 79 CO -0.00 1.12 0.39 0.00 -2.27 0.00 0.00 179.45 178.69 1cg7 h ARG 80 N -0.60 0.57 0.00 1.90 2.47 -0.94 0.44 114.38 118.23 1cg7 h ARG 80 Ca -0.24 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.45 1cg7 h ARG 80 Cb 1.50 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 29.69 1cg7 h ARG 80 CO 0.00 0.38 0.35 -0.92 0.56 0.00 0.00 179.97 180.34 1cg7 h TYR 81 N 0.59 0.00 0.00 3.04 3.20 -0.71 1.41 116.97 124.51 1cg7 h TYR 81 Ca 0.43 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.29 1cg7 h TYR 81 Cb 0.57 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.84 1cg7 h TYR 81 CO -0.11 0.00 -0.61 0.93 -1.64 0.00 0.00 178.16 176.73 1cg7 h GLU 82 N 0.00 0.00 -0.22 1.82 5.08 -0.28 -2.99 114.58 118.00 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 0.70 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1cg7 h GLU 82 CO 0.00 0.02 0.00 1.03 -1.00 0.00 0.00 179.01 179.06 1cg7 h SER 83 N 0.00 0.37 1.86 1.42 0.87 0.20 0.91 113.55 119.18 1cg7 h SER 83 Ca -0.00 -0.31 0.00 0.00 -1.23 0.00 0.00 61.79 60.25 1cg7 h SER 83 Cb 1.02 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.88 1cg7 h SER 83 CO 0.00 0.59 0.00 -0.33 -0.53 0.00 0.00 176.83 176.56 1cg7 h GLU 84 N 0.15 0.00 0.04 2.24 3.07 -1.65 -3.12 114.58 115.30 1cg7 h GLU 84 Ca 0.06 0.00 -0.23 0.00 -0.50 0.00 0.00 59.36 58.69 1cg7 h GLU 84 Cb 0.39 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.30 1cg7 h GLU 84 CO 0.01 0.00 -1.01 -0.22 -1.40 0.00 0.00 179.01 176.39 1cg7 h LYS 85 N 0.00 0.30 -0.85 2.33 3.11 -1.34 -2.48 116.57 117.64 1cg7 h LYS 85 Ca 0.00 -0.37 0.05 0.00 -2.81 0.00 0.00 60.65 57.52 1cg7 h LYS 85 Cb 0.93 0.12 -0.05 0.00 -1.00 0.00 0.00 32.23 32.22 1cg7 h LYS 85 CO 0.00 1.09 0.56 1.49 -2.81 0.00 0.00 179.45 179.78 1cg7 h GLU 86 N 0.15 0.98 -0.04 1.90 4.81 -0.75 0.83 114.58 122.45 1cg7 h GLU 86 Ca -0.08 -0.06 -0.15 0.00 -0.13 0.00 0.00 59.36 58.94 1cg7 h GLU 86 Cb 1.67 -0.22 0.01 0.00 0.63 0.00 0.00 28.75 30.84 1cg7 h GLU 86 CO 0.17 0.65 -0.55 -0.07 -0.73 0.00 0.00 179.01 178.47 1cg7 h LEU 87 N 1.01 0.55 -0.14 1.64 3.38 -1.62 -2.18 115.31 117.94 1cg7 h LEU 87 Ca 0.35 -0.72 0.05 0.00 0.09 0.00 0.00 57.88 57.65 1cg7 h LEU 87 Cb 0.12 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 1cg7 h LEU 87 CO -0.12 1.19 -0.18 0.22 0.09 0.00 0.00 178.44 179.64 1cg7 h TYR 88 N -0.04 -0.46 0.00 1.13 3.20 -0.90 0.30 116.97 120.20 1cg7 h TYR 88 Ca -0.06 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.79 1cg7 h TYR 88 Cb 1.24 0.23 -0.01 0.00 1.54 0.00 0.00 36.73 39.73 1cg7 h TYR 88 CO 0.14 -0.25 -0.22 -2.95 -1.64 0.00 0.00 178.16 173.23 1cg7 h ASN 89 N -0.22 0.00 0.57 -2.11 -1.07 -0.94 0.09 115.58 111.90 1cg7 h ASN 89 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.47 1cg7 h ASN 89 Cb 0.37 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.62 1cg7 h ASN 89 CO -0.27 0.22 0.00 0.00 0.07 0.00 0.00 177.43 177.45 1cg7 h ALA 90 N 1.78 1.00 -0.01 4.14 0.00 -0.30 0.62 119.26 126.49 1cg7 h ALA 90 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1cg7 h ALA 90 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1cg7 h ALA 90 CO 0.03 0.00 -0.10 -2.37 0.00 0.00 0.00 179.25 176.81 1cg7 n THR 91 N -2.80 0.00 -3.26 0.00 5.66 0.02 -4.87 114.28 109.03 1cg7 n THR 91 Ca -0.00 -0.13 -0.21 0.00 -3.05 0.00 0.00 64.05 60.66 1cg7 n THR 91 Cb 0.19 0.18 0.03 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 -2.27 3.16 0.00 1.09 1.43 0.21 -5.11 118.68 117.19 1cg7 s LEU 92 Ca 0.33 -0.84 0.00 0.00 -1.03 0.00 0.00 54.13 52.59 1cg7 s LEU 92 Cb 0.20 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 44.64 1cg7 s LEU 92 CO 0.43 -1.10 0.00 0.00 0.23 0.00 0.00 176.35 175.90