#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gqi s SER 2 N 0.00 5.27 0.06 1.61 0.01 -1.26 -5.06 113.70 114.34 2gqi s SER 2 Ca 0.00 -0.68 -0.31 0.00 1.31 0.00 0.00 55.95 56.27 2gqi s SER 2 Cb 0.00 -0.30 -0.08 0.00 0.21 0.00 0.00 66.02 65.85 2gqi s SER 2 CO 0.00 -0.91 1.58 -0.44 0.41 0.00 0.00 173.24 173.88 2gqi s SER 3 N -4.37 6.67 0.00 2.44 0.01 -1.26 -4.91 113.70 112.28 2gqi s SER 3 Ca 0.53 2.40 0.00 0.00 1.31 0.00 0.00 55.95 60.19 2gqi s SER 3 Cb -0.06 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.60 2gqi s SER 3 CO 0.32 -0.83 0.00 0.61 0.41 0.00 0.00 173.24 173.75 2gqi n GLY 4 N 3.88 3.97 3.84 3.44 0.00 -1.26 -5.17 105.19 113.88 2gqi n GLY 4 Ca 0.15 -0.33 -0.22 0.00 0.00 0.00 0.00 46.02 45.62 2gqi n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2gqi s SER 5 N 1.84 5.54 -0.13 1.61 0.15 -1.26 -5.06 113.70 116.39 2gqi s SER 5 Ca 0.00 -0.27 -0.17 0.00 0.70 0.00 0.00 55.95 56.21 2gqi s SER 5 Cb 0.00 -1.35 -0.15 0.00 -1.71 0.00 0.00 66.02 62.81 2gqi s SER 5 CO 0.00 -0.10 0.39 -1.28 1.20 0.00 0.00 173.24 173.45 2gqi h SER 6 N 1.42 0.00 0.00 5.45 0.87 -1.99 -3.49 113.55 115.81 2gqi h SER 6 Ca -0.48 -0.55 0.00 0.00 -1.23 0.00 0.00 61.79 59.53 2gqi h SER 6 Cb 1.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 2gqi h SER 6 CO 0.60 0.86 0.00 0.61 -0.53 0.00 0.00 176.83 178.37 2gqi n GLY 7 N 1.65 -0.54 3.77 5.77 0.00 -1.26 -5.04 105.19 109.53 2gqi n GLY 7 Ca -0.09 0.73 -0.39 0.00 0.00 0.00 0.00 46.02 46.27 2gqi n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2gqi s ARG 8 N 0.00 4.40 -0.13 1.61 3.52 -1.25 -4.87 118.95 122.23 2gqi s ARG 8 Ca 0.00 1.81 -0.02 0.00 -0.13 0.00 0.00 55.73 57.40 2gqi s ARG 8 Cb 0.00 -2.95 -0.03 0.00 -1.56 0.00 0.00 34.95 30.41 2gqi s ARG 8 CO 0.00 -0.01 -0.06 1.03 -0.81 0.00 0.00 175.30 175.45 2gqi s ARG 9 N -1.85 3.36 0.24 5.12 0.52 -1.26 -1.83 118.95 123.25 2gqi s ARG 9 Ca 0.50 -0.55 0.01 0.00 -0.52 0.00 0.00 55.73 55.17 2gqi s ARG 9 Cb -0.31 -2.78 -0.05 0.00 0.52 0.00 0.00 34.95 32.33 2gqi s ARG 9 CO 0.40 0.36 0.08 0.14 0.02 0.00 0.00 175.30 176.30 2gqi s VAL 10 N 0.01 0.57 0.02 3.52 -7.23 -1.26 -1.93 120.40 114.11 2gqi s VAL 10 Ca -0.01 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.18 2gqi s VAL 10 Cb -0.14 -2.55 -0.02 0.00 0.56 0.00 0.00 36.38 34.23 2gqi s VAL 10 CO 0.03 -0.08 -0.04 -0.60 -0.31 0.00 0.00 175.10 174.10 2gqi s ARG 11 N -4.02 0.35 -0.64 4.82 3.52 -0.89 -2.46 118.95 119.63 2gqi s ARG 11 Ca 0.36 -0.51 -0.26 0.00 -0.13 0.00 0.00 55.73 55.18 2gqi s ARG 11 Cb 0.08 -0.11 0.04 0.00 -1.56 0.00 0.00 34.95 33.39 2gqi s ARG 11 CO 0.12 0.01 1.15 0.00 -0.81 0.00 0.00 175.30 175.78 2gqi s ALA 12 N -1.03 2.95 0.12 6.12 0.00 -0.99 -1.38 121.76 127.55 2gqi s ALA 12 Ca -0.09 -1.23 0.34 0.00 0.00 0.00 0.00 51.96 50.98 2gqi s ALA 12 Cb -0.07 -4.04 1.49 0.00 0.00 0.00 0.00 23.12 20.49 2gqi s ALA 12 CO -0.00 -2.86 2.01 -0.84 0.00 0.00 0.00 175.76 174.06 2gqi h ILE 13 N 6.06 0.00 -3.19 0.00 3.07 -1.89 -0.03 117.51 121.52 2gqi h ILE 13 Ca -0.27 -0.39 -0.11 0.00 1.55 0.00 0.00 64.86 65.64 2gqi h ILE 13 Cb 1.06 1.34 -0.19 0.00 -0.27 0.00 0.00 36.82 38.76 2gqi h ILE 13 CO 1.20 0.00 -0.29 -0.76 -1.05 0.00 0.00 178.15 177.25 2gqi s LEU 14 N -5.94 0.96 0.30 0.16 1.43 -1.26 -4.81 118.68 109.52 2gqi s LEU 14 Ca 0.00 -0.06 -0.29 0.00 -1.03 0.00 0.00 54.13 52.76 2gqi s LEU 14 Cb 0.10 1.22 -0.10 0.00 0.03 0.00 0.00 46.19 47.43 2gqi s LEU 14 CO 0.50 -0.50 1.23 -2.16 0.23 0.00 0.00 176.35 175.65 2gqi s PRO 15 N -1.80 4.46 0.32 1.29 0.04 -1.26 -4.43 135.00 133.62 2gqi s PRO 15 Ca -0.10 2.06 0.10 0.00 0.04 0.00 0.00 61.00 63.09 2gqi s PRO 15 Cb -0.04 -3.12 -0.06 0.00 0.04 0.00 0.00 34.50 31.33 2gqi s PRO 15 CO 0.01 -0.05 -0.06 -0.47 0.04 0.00 0.00 177.00 176.48 2gqi s TYR 16 N -1.07 2.47 -0.58 0.56 5.04 -1.17 -4.97 117.35 117.63 2gqi s TYR 16 Ca 0.48 -0.42 0.04 0.00 -2.44 0.00 0.00 57.07 54.73 2gqi s TYR 16 Cb -0.37 -1.34 0.14 0.00 0.35 0.00 0.00 41.96 40.74 2gqi s TYR 16 CO 0.48 0.57 0.34 0.99 -1.34 0.00 0.00 175.55 176.59 2gqi s THR 17 N -2.53 2.77 0.48 4.34 2.01 -1.26 -4.13 115.64 117.32 2gqi s THR 17 Ca 0.33 -3.58 -0.15 0.00 0.31 0.00 0.00 61.69 58.60 2gqi s THR 17 Cb -0.01 -2.88 -0.12 0.00 0.01 0.00 0.00 72.50 69.50 2gqi s THR 17 CO 0.18 -0.86 -0.19 2.29 -0.69 0.00 0.00 174.62 175.34 2gqi n LYS 18 N 2.80 0.00 -2.76 4.92 2.85 -1.26 -4.86 118.16 119.85 2gqi n LYS 18 Ca 0.09 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.95 2gqi n LYS 18 Cb 0.33 -0.83 -0.06 0.00 -0.65 0.00 0.00 35.03 33.82 2gqi n LYS 18 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2gqi s VAL 19 N -1.66 4.17 0.11 0.58 1.01 -1.26 -4.97 120.40 118.38 2gqi s VAL 19 Ca 0.45 2.07 -0.31 0.00 0.00 0.00 0.00 61.98 64.19 2gqi s VAL 19 Cb -0.37 -4.32 -0.08 0.00 0.00 0.00 0.00 36.38 31.61 2gqi s VAL 19 CO 0.57 0.46 1.37 -2.16 0.00 0.00 0.00 175.10 175.34 2gqi s PRO 20 N -0.94 4.33 -0.43 2.72 0.04 -1.26 -3.51 135.00 135.95 2gqi s PRO 20 Ca 0.42 2.03 -0.00 0.00 0.04 0.00 0.00 61.00 63.49 2gqi s PRO 20 Cb -0.25 -3.26 -0.00 0.00 0.04 0.00 0.00 34.50 31.02 2gqi s PRO 20 CO 0.31 -0.42 0.36 -0.25 0.04 0.00 0.00 177.00 177.04 2gqi n ASP 21 N 3.97 -2.21 -3.21 6.66 8.00 -1.26 -5.05 116.55 123.45 2gqi n ASP 21 Ca 0.11 -0.23 -0.09 0.00 0.71 0.00 0.00 54.79 55.29 2gqi n ASP 21 Cb 0.43 -2.18 0.01 0.00 -0.02 0.00 0.00 41.12 39.36 2gqi n ASP 21 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2gqi s THR 22 N -3.13 0.00 -0.18 -3.53 -4.23 -1.23 -5.04 115.64 98.30 2gqi s THR 22 Ca 0.02 -1.07 0.20 0.00 -1.18 0.00 0.00 61.69 59.66 2gqi s THR 22 Cb -0.00 -2.64 0.19 0.00 1.34 0.00 0.00 72.50 71.39 2gqi s THR 22 CO 0.26 0.00 1.59 0.44 -0.54 0.00 0.00 174.62 176.37 2gqi h ASP 23 N 2.02 0.00 -1.78 3.99 3.32 -1.97 -3.47 116.42 118.53 2gqi h ASP 23 Ca -0.29 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.24 2gqi h ASP 23 Cb 1.25 0.00 0.17 0.00 0.22 0.00 0.00 39.33 40.97 2gqi h ASP 23 CO 0.36 0.28 -1.19 -0.62 -1.72 0.00 0.00 179.24 176.35 2gqi n GLU 24 N -3.21 0.00 -4.50 3.56 -0.58 -1.26 -4.54 120.64 110.11 2gqi n GLU 24 Ca 0.02 0.00 -0.22 0.00 -0.42 0.00 0.00 57.16 56.54 2gqi n GLU 24 Cb 0.60 -0.89 -0.14 0.00 -0.57 0.00 0.00 31.44 30.44 2gqi n GLU 24 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 2gqi s ILE 25 N -1.78 1.23 -0.17 -3.67 -4.36 -1.26 -4.75 121.20 106.44 2gqi s ILE 25 Ca 0.47 -0.94 -0.20 0.00 -0.26 0.00 0.00 60.65 59.72 2gqi s ILE 25 Cb -0.37 -1.08 -0.03 0.00 1.25 0.00 0.00 42.46 42.22 2gqi s ILE 25 CO 0.63 0.13 0.58 -0.94 0.24 0.00 0.00 174.94 175.58 2gqi s SER 26 N -0.94 6.69 0.38 4.36 1.04 -1.26 -4.30 113.70 119.67 2gqi s SER 26 Ca 0.04 0.83 0.05 0.00 0.48 0.00 0.00 55.95 57.35 2gqi s SER 26 Cb -0.07 -2.33 -0.07 0.00 0.10 0.00 0.00 66.02 63.65 2gqi s SER 26 CO 0.01 -0.18 0.04 0.72 0.98 0.00 0.00 173.24 174.81 2gqi s PHE 27 N 1.45 2.21 0.19 5.02 -0.12 -1.26 -5.00 117.98 120.48 2gqi s PHE 27 Ca 0.28 -0.84 0.09 0.00 -0.05 0.00 0.00 56.93 56.42 2gqi s PHE 27 Cb -0.16 -1.53 -0.04 0.00 -0.63 0.00 0.00 43.02 40.66 2gqi s PHE 27 CO 0.11 0.21 -0.19 -0.51 -0.05 0.00 0.00 175.22 174.79 2gqi s LEU 28 N -3.61 2.47 -0.05 -1.99 1.43 -1.26 -3.05 118.68 112.61 2gqi s LEU 28 Ca 0.34 -0.90 -0.34 0.00 -1.03 0.00 0.00 54.13 52.20 2gqi s LEU 28 Cb 0.09 -0.92 -0.12 0.00 0.03 0.00 0.00 46.19 45.27 2gqi s LEU 28 CO 0.16 -0.01 1.86 1.17 0.23 0.00 0.00 176.35 179.77 2gqi n LYS 29 N 0.11 2.26 0.00 1.70 4.81 -1.26 -1.34 118.16 124.44 2gqi n LYS 29 Ca -0.12 0.83 0.00 0.00 -0.87 0.00 0.00 58.31 58.15 2gqi n LYS 29 Cb 0.57 -2.68 0.00 0.00 0.02 0.00 0.00 35.03 32.95 2gqi n LYS 29 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2gqi n GLY 30 N 4.33 2.13 3.70 3.14 0.00 -0.03 -4.99 105.19 113.47 2gqi n GLY 30 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 2gqi n GLY 30 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2gqi s ASP 31 N -0.81 6.68 0.88 1.61 1.11 -0.45 -4.75 116.67 120.93 2gqi s ASP 31 Ca 0.00 2.42 -0.11 0.00 0.18 0.00 0.00 52.55 55.04 2gqi s ASP 31 Cb 0.00 -2.57 0.17 0.00 1.07 0.00 0.00 42.92 41.59 2gqi s ASP 31 CO 0.00 -0.81 1.22 -0.04 1.18 0.00 0.00 175.17 176.71 2gqi s MET 32 N 2.12 1.04 0.38 8.23 -1.94 -1.26 -2.35 119.30 125.51 2gqi s MET 32 Ca 0.70 -0.57 -0.10 0.00 -1.71 0.00 0.00 55.69 54.00 2gqi s MET 32 Cb -0.39 -1.99 0.04 0.00 2.01 0.00 0.00 34.83 34.50 2gqi s MET 32 CO 0.31 -2.07 0.68 -0.06 -0.01 0.00 0.00 175.02 173.86 2gqi s PHE 33 N -3.65 0.49 -0.21 -0.03 0.40 -1.03 -2.96 117.98 110.99 2gqi s PHE 33 Ca 0.71 -1.01 -0.04 0.00 -0.60 0.00 0.00 56.93 56.00 2gqi s PHE 33 Cb -0.05 0.51 0.07 0.00 0.51 0.00 0.00 43.02 44.06 2gqi s PHE 33 CO 0.50 -1.43 0.08 0.42 0.70 0.00 0.00 175.22 175.49 2gqi s ILE 34 N -2.50 0.25 -0.24 0.64 1.01 -1.16 -4.08 121.20 115.10 2gqi s ILE 34 Ca 0.21 -0.54 -0.29 0.00 0.00 0.00 0.00 60.65 60.03 2gqi s ILE 34 Cb -0.03 -0.93 -0.03 0.00 0.01 0.00 0.00 42.46 41.48 2gqi s ILE 34 CO 0.15 -0.37 1.68 -0.69 0.00 0.00 0.00 174.94 175.72 2gqi s VAL 35 N 1.97 3.60 -0.22 2.92 1.01 -0.76 -2.92 120.40 126.00 2gqi s VAL 35 Ca 0.03 0.67 -0.08 0.00 0.00 0.00 0.00 61.98 62.60 2gqi s VAL 35 Cb -0.17 -3.66 -0.11 0.00 0.00 0.00 0.00 36.38 32.45 2gqi s VAL 35 CO -0.15 -0.31 -0.26 1.41 0.00 0.00 0.00 175.10 175.78 2gqi n HIS 36 N 8.94 0.00 -4.68 5.22 8.25 -0.99 -3.95 115.22 128.01 2gqi n HIS 36 Ca 0.20 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.43 2gqi n HIS 36 Cb 0.45 -0.82 -0.15 0.00 1.12 0.00 0.00 29.99 30.59 2gqi n HIS 36 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2gqi s ASN 37 N -6.77 1.74 -0.53 0.41 2.47 -1.18 -4.99 114.94 106.10 2gqi s ASN 37 Ca -0.31 -0.27 -0.16 0.00 0.42 0.00 0.00 52.86 52.54 2gqi s ASN 37 Cb 0.11 -0.26 0.12 0.00 -1.45 0.00 0.00 41.25 39.76 2gqi s ASN 37 CO 0.43 0.17 0.49 -1.61 -3.72 0.00 0.00 177.10 172.85 2gqi s GLU 38 N -0.24 2.99 0.59 0.43 2.02 -1.26 -0.60 118.70 122.63 2gqi s GLU 38 Ca 0.03 -1.61 -0.10 0.00 0.02 0.00 0.00 54.97 53.31 2gqi s GLU 38 Cb -0.07 -4.26 0.14 0.00 0.10 0.00 0.00 34.13 30.04 2gqi s GLU 38 CO -0.00 -1.28 0.78 1.28 0.02 0.00 0.00 175.26 176.06 2gqi n LEU 39 N 5.30 0.00 0.00 1.80 7.99 0.56 -4.97 117.00 127.68 2gqi n LEU 39 Ca -0.13 -0.86 -0.15 0.00 -0.01 0.00 0.00 56.01 54.86 2gqi n LEU 39 Cb 0.41 -0.60 0.02 0.00 -0.11 0.00 0.00 43.42 43.13 2gqi n LEU 39 CO 0.53 -1.10 0.11 -0.62 -1.51 0.00 0.00 177.39 174.80 2gqi n GLU 40 N -2.72 0.90 -2.01 3.23 4.71 -1.26 -4.20 120.64 119.28 2gqi n GLU 40 Ca 0.10 -2.07 -0.15 0.00 -0.01 0.00 0.00 57.16 55.03 2gqi n GLU 40 Cb 0.34 0.08 -0.03 0.00 -1.01 0.00 0.00 31.44 30.83 2gqi n GLU 40 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2gqi n ASP 41 N -2.16 -4.26 -2.11 1.62 8.00 -1.26 -2.58 116.55 113.81 2gqi n ASP 41 Ca 0.03 0.23 -0.03 0.00 0.71 0.00 0.00 54.79 55.73 2gqi n ASP 41 Cb 0.38 -3.71 0.01 0.00 -0.02 0.00 0.00 41.12 37.78 2gqi n ASP 41 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2gqi n GLY 42 N -0.62 -0.22 3.33 0.44 0.00 -1.26 -5.05 105.19 101.81 2gqi n GLY 42 Ca -0.16 0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 2gqi n GLY 42 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2gqi s TRP 43 N -3.08 -0.27 -0.18 1.61 0.52 -1.06 -4.12 118.94 112.35 2gqi s TRP 43 Ca 0.09 0.13 -0.20 0.00 0.02 0.00 0.00 56.10 56.14 2gqi s TRP 43 Cb -0.01 0.26 0.05 0.00 -1.15 0.00 0.00 33.47 32.63 2gqi s TRP 43 CO 0.27 -0.64 0.56 -1.64 0.02 0.00 0.00 176.95 175.52 2gqi s MET 44 N -3.02 0.70 -1.00 4.98 -1.94 -0.93 -0.32 119.30 117.76 2gqi s MET 44 Ca -0.02 0.68 -0.20 0.00 -1.71 0.00 0.00 55.69 54.43 2gqi s MET 44 Cb 0.00 0.34 0.10 0.00 2.01 0.00 0.00 34.83 37.28 2gqi s MET 44 CO -0.06 -0.11 1.31 -0.46 -0.01 0.00 0.00 175.02 175.69 2gqi s TRP 45 N 0.06 2.88 0.36 -0.03 -0.11 0.23 -2.66 118.94 119.67 2gqi s TRP 45 Ca -0.02 -1.21 0.05 0.00 1.22 0.00 0.00 56.10 56.14 2gqi s TRP 45 Cb -0.04 -4.48 0.05 0.00 -1.50 0.00 0.00 33.47 27.50 2gqi s TRP 45 CO 0.02 -1.69 0.44 1.33 -4.62 0.00 0.00 176.95 172.43 2gqi n VAL 46 N 6.08 0.00 -3.58 5.86 0.24 -1.08 -2.36 118.33 123.49 2gqi n VAL 46 Ca 0.30 -1.26 -0.19 0.00 -2.04 0.00 0.00 64.34 61.15 2gqi n VAL 46 Cb 0.49 -0.56 -0.15 0.00 -1.47 0.00 0.00 33.84 32.16 2gqi n VAL 46 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2gqi s THR 47 N -1.39 -0.25 0.27 3.34 2.01 -1.15 -1.76 115.64 116.72 2gqi s THR 47 Ca 0.33 0.06 -0.30 0.00 0.31 0.00 0.00 61.69 62.09 2gqi s THR 47 Cb -0.03 -0.51 -0.12 0.00 0.01 0.00 0.00 72.50 71.86 2gqi s THR 47 CO 0.21 -0.08 1.59 -3.20 -0.69 0.00 0.00 174.62 172.45 2gqi n ASN 48 N 5.31 3.75 0.14 3.53 2.85 -0.20 -3.01 115.26 127.64 2gqi n ASN 48 Ca -0.05 1.13 0.03 0.00 -0.11 0.00 0.00 54.58 55.58 2gqi n ASN 48 Cb 0.50 -1.57 0.06 0.00 1.24 0.00 0.00 39.78 40.01 2gqi n ASN 48 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 2gqi h LEU 49 N 5.00 0.00 0.04 1.20 3.38 -1.87 0.30 115.31 123.36 2gqi h LEU 49 Ca -0.46 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.51 2gqi h LEU 49 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2gqi h LEU 49 CO 0.81 0.50 -0.02 -0.09 0.09 0.00 0.00 178.44 179.73 2gqi h ARG 50 N 0.00 -0.05 0.00 1.13 2.43 -1.90 -3.34 114.38 112.64 2gqi h ARG 50 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2gqi h ARG 50 Cb 1.33 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.89 2gqi h ARG 50 CO 0.06 0.56 -0.44 1.79 -1.51 0.00 0.00 179.97 180.43 2gqi h THR 51 N -0.92 0.00 -5.90 0.20 1.35 -1.96 -3.48 112.91 102.19 2gqi h THR 51 Ca -0.01 -0.80 -0.41 0.00 -0.55 0.00 0.00 66.41 64.65 2gqi h THR 51 Cb 0.64 1.55 0.12 0.00 -1.73 0.00 0.00 68.15 68.72 2gqi h THR 51 CO 0.01 0.00 -0.70 0.47 -0.25 0.00 0.00 175.52 175.05 2gqi n ASP 52 N -2.61 -5.82 -4.28 5.36 8.00 0.10 -5.00 116.55 112.30 2gqi n ASP 52 Ca 0.03 -0.58 -0.19 0.00 0.71 0.00 0.00 54.79 54.76 2gqi n ASP 52 Cb 0.50 -4.87 -0.11 0.00 -0.02 0.00 0.00 41.12 36.62 2gqi n ASP 52 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2gqi s GLU 53 N -6.29 1.14 -0.01 -1.24 0.41 -1.17 -4.92 118.70 106.62 2gqi s GLU 53 Ca 0.55 -1.36 -0.03 0.00 -0.41 0.00 0.00 54.97 53.72 2gqi s GLU 53 Cb -0.25 -1.03 -0.04 0.00 -1.78 0.00 0.00 34.13 31.03 2gqi s GLU 53 CO 0.75 0.19 0.19 -0.65 -0.49 0.00 0.00 175.26 175.25 2gqi s GLN 54 N -2.96 3.45 0.00 1.61 -0.21 -1.26 -1.03 119.66 119.26 2gqi s GLN 54 Ca 0.14 -0.29 0.00 0.00 0.02 0.00 0.00 55.36 55.22 2gqi s GLN 54 Cb -0.04 -3.09 0.00 0.00 1.00 0.00 0.00 33.01 30.88 2gqi s GLN 54 CO 0.04 0.67 0.00 0.41 -2.12 0.00 0.00 175.29 174.29 2gqi n GLY 55 N 0.95 2.14 3.07 3.09 0.00 -0.72 -4.85 105.19 108.88 2gqi n GLY 55 Ca -0.11 -0.83 -0.32 0.00 0.00 0.00 0.00 46.02 44.76 2gqi n GLY 55 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gqi s LEU 56 N 0.00 2.60 0.27 0.99 1.43 -1.26 -2.62 118.68 120.10 2gqi s LEU 56 Ca 0.00 -0.95 0.11 0.00 -1.03 0.00 0.00 54.13 52.26 2gqi s LEU 56 Cb 0.00 -1.44 -0.05 0.00 0.03 0.00 0.00 46.19 44.73 2gqi s LEU 56 CO 0.00 -0.10 -0.15 0.27 0.23 0.00 0.00 176.35 176.60 2gqi s ILE 57 N 1.25 2.72 0.03 -0.59 -4.36 -1.09 -4.61 121.20 114.56 2gqi s ILE 57 Ca -0.01 -2.27 -0.11 0.00 -0.26 0.00 0.00 60.65 58.00 2gqi s ILE 57 Cb -0.16 -2.43 -0.06 0.00 1.25 0.00 0.00 42.46 41.07 2gqi s ILE 57 CO -0.09 -0.38 0.37 0.54 0.24 0.00 0.00 174.94 175.62 2gqi s VAL 58 N -2.44 5.12 -2.00 8.37 0.11 -1.26 -2.18 120.40 126.12 2gqi s VAL 58 Ca 0.30 0.53 0.18 0.00 -2.93 0.00 0.00 61.98 60.06 2gqi s VAL 58 Cb -0.05 -3.64 0.51 0.00 -1.53 0.00 0.00 36.38 31.66 2gqi s VAL 58 CO 0.16 0.41 1.52 -1.84 -3.33 0.00 0.00 175.10 172.02 2gqi n GLU 59 N 1.28 0.73 0.02 1.54 0.28 -1.26 -2.35 120.64 120.89 2gqi n GLU 59 Ca -0.11 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 57.00 2gqi n GLU 59 Cb 0.53 -1.38 -0.04 0.00 1.43 0.00 0.00 31.44 31.98 2gqi n GLU 59 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2gqi n ASP 60 N -0.88 0.55 -1.00 -1.84 2.03 -1.26 -4.05 116.55 110.10 2gqi n ASP 60 Ca 0.13 -0.21 0.08 0.00 0.52 0.00 0.00 54.79 55.31 2gqi n ASP 60 Cb 0.06 1.03 0.25 0.00 -0.72 0.00 0.00 41.12 41.74 2gqi n ASP 60 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2gqi n LEU 61 N -2.04 3.74 -4.24 -2.67 4.77 -0.99 -4.99 117.00 110.58 2gqi n LEU 61 Ca 0.01 -2.38 -0.14 0.00 -0.03 0.00 0.00 56.01 53.47 2gqi n LEU 61 Cb 0.46 -0.42 -0.10 0.00 -2.33 0.00 0.00 43.42 41.03 2gqi n LEU 61 CO 0.42 0.75 -0.27 0.68 -1.33 0.00 0.00 177.39 177.64 2gqi s VAL 62 N -1.70 0.32 0.10 4.08 -7.23 -1.25 -3.33 120.40 111.41 2gqi s VAL 62 Ca 0.37 -1.98 0.04 0.00 -1.81 0.00 0.00 61.98 58.60 2gqi s VAL 62 Cb 0.24 -2.43 -0.04 0.00 0.56 0.00 0.00 36.38 34.72 2gqi s VAL 62 CO 0.17 -0.14 -0.11 -1.83 -0.31 0.00 0.00 175.10 172.88 2gqi s GLU 63 N -4.06 0.90 -0.01 4.82 4.04 -0.48 -4.89 118.70 119.03 2gqi s GLU 63 Ca 0.34 -1.18 -0.30 0.00 0.04 0.00 0.00 54.97 53.87 2gqi s GLU 63 Cb 0.07 -0.64 -0.03 0.00 0.02 0.00 0.00 34.13 33.55 2gqi s GLU 63 CO 0.10 0.11 0.99 -1.83 -1.84 0.00 0.00 175.26 172.79 2gqi s GLU 64 N -2.76 4.54 -0.99 -4.83 -1.05 -1.26 -2.09 118.70 110.25 2gqi s GLU 64 Ca 0.07 1.43 -0.14 0.00 -0.15 0.00 0.00 54.97 56.18 2gqi s GLU 64 Cb -0.03 -3.47 0.21 0.00 -0.44 0.00 0.00 34.13 30.40 2gqi s GLU 64 CO 0.01 -0.09 1.05 0.08 0.95 0.00 0.00 175.26 177.26 2gqi s VAL 65 N 1.13 5.43 -0.17 1.83 1.01 -0.81 -4.97 120.40 123.86 2gqi s VAL 65 Ca 0.52 -2.57 -0.14 0.00 0.00 0.00 0.00 61.98 59.79 2gqi s VAL 65 Cb -0.21 -4.65 0.05 0.00 0.00 0.00 0.00 36.38 31.57 2gqi s VAL 65 CO 0.27 -1.27 0.44 -0.55 0.00 0.00 0.00 175.10 173.98 2gqi s SER 66 N 2.36 -0.48 0.00 3.32 0.15 -1.26 -4.82 113.70 112.97 2gqi s SER 66 Ca 0.29 0.89 0.00 0.00 0.70 0.00 0.00 55.95 57.83 2gqi s SER 66 Cb -0.08 0.88 0.00 0.00 -1.71 0.00 0.00 66.02 65.11 2gqi s SER 66 CO -0.07 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.82 2gqi n GLY 67 N 3.14 2.02 0.25 9.45 0.00 -1.26 -5.01 105.19 113.77 2gqi n GLY 67 Ca -0.15 -0.90 -0.11 0.00 0.00 0.00 0.00 46.02 44.86 2gqi n GLY 67 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gqi h PRO 68 N 0.00 0.77 -6.84 1.61 0.13 -2.02 -3.45 132.00 122.21 2gqi h PRO 68 Ca 0.00 -0.40 -0.54 0.00 -0.87 0.00 0.00 66.00 64.18 2gqi h PRO 68 Cb 0.00 0.01 0.10 0.00 0.13 0.00 0.00 31.00 31.24 2gqi h PRO 68 CO 0.00 1.03 0.79 0.45 -0.23 0.00 0.00 178.00 180.04 2gqi n SER 69 N -4.04 3.69 -4.77 1.44 2.88 -1.26 -4.95 113.62 106.60 2gqi n SER 69 Ca -0.02 1.19 -0.37 0.00 -1.33 0.00 0.00 58.87 58.34 2gqi n SER 69 Cb 0.54 -1.59 -0.02 0.00 -0.75 0.00 0.00 64.21 62.39 2gqi n SER 69 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2gqi s SER 70 N 0.14 6.33 0.00 -3.46 0.01 -1.26 -5.09 113.70 110.36 2gqi s SER 70 Ca 0.59 2.25 0.00 0.00 1.31 0.00 0.00 55.95 60.10 2gqi s SER 70 Cb -0.50 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.13 2gqi s SER 70 CO 0.57 -0.80 0.00 0.61 0.41 0.00 0.00 173.24 174.02