#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gjs n LYS 2 N 0.00 1.67 -1.88 2.12 4.76 -1.26 -5.10 118.16 118.47 1gjs n LYS 2 Ca 0.00 -3.49 -0.41 0.00 -2.87 0.00 0.00 58.31 51.55 1gjs n LYS 2 Cb 0.00 -1.53 -0.00 0.00 -1.84 0.00 0.00 35.03 31.66 1gjs n LYS 2 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1gjs s ALA 3 N -3.51 3.47 0.00 7.82 0.00 -1.26 -4.84 121.76 123.44 1gjs s ALA 3 Ca 0.29 1.47 0.00 0.00 0.00 0.00 0.00 51.96 53.72 1gjs s ALA 3 Cb 0.39 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.93 1gjs s ALA 3 CO -0.01 -0.99 0.00 0.44 0.00 0.00 0.00 175.76 175.20 1gjs n ILE 4 N 0.37 0.00 -0.01 0.00 -5.35 -1.26 -5.00 119.36 108.11 1gjs n ILE 4 Ca 0.02 0.00 0.04 0.00 -0.27 0.00 0.00 62.75 62.54 1gjs n ILE 4 Cb 0.41 0.00 0.41 0.00 -1.74 0.00 0.00 39.64 38.72 1gjs n ILE 4 CO 0.00 0.00 0.00 0.15 -1.76 0.00 0.00 176.55 174.94 1gjs h PHE 5 N 0.00 0.54 -3.16 4.28 3.04 -2.08 -3.43 116.94 116.13 1gjs h PHE 5 Ca 0.00 0.01 -0.39 0.00 3.98 0.00 0.00 57.97 61.57 1gjs h PHE 5 Cb 0.00 -0.18 -0.15 0.00 2.56 0.00 0.00 35.95 38.18 1gjs h PHE 5 CO 0.00 0.34 -0.73 0.14 -2.02 0.00 0.00 178.31 176.05 1gjs s VAL 6 N -5.51 1.44 0.24 1.41 -7.23 -1.26 -5.12 120.40 104.37 1gjs s VAL 6 Ca -0.08 -2.11 -0.30 0.00 -1.81 0.00 0.00 61.98 57.68 1gjs s VAL 6 Cb 0.17 -1.92 -0.09 0.00 0.56 0.00 0.00 36.38 35.10 1gjs s VAL 6 CO 0.73 -0.66 1.15 -1.48 -0.31 0.00 0.00 175.10 174.54 1gjs s LEU 7 N -3.20 4.50 0.13 1.32 2.34 -1.26 -4.91 118.68 117.60 1gjs s LEU 7 Ca 0.19 2.28 -0.30 0.00 0.06 0.00 0.00 54.13 56.36 1gjs s LEU 7 Cb 0.01 -3.62 -0.06 0.00 -0.56 0.00 0.00 46.19 41.96 1gjs s LEU 7 CO 0.04 -0.27 0.96 0.20 -1.06 0.00 0.00 176.35 176.21 1gjs s ASN 8 N -0.40 7.51 0.00 1.48 0.02 -1.26 -4.85 114.94 117.44 1gjs s ASN 8 Ca 0.48 1.81 0.00 0.00 -1.02 0.00 0.00 52.86 54.13 1gjs s ASN 8 Cb -0.33 -2.59 0.00 0.00 0.02 0.00 0.00 41.25 38.35 1gjs s ASN 8 CO 0.40 -0.04 0.16 0.00 0.02 0.00 0.00 177.10 177.64 1gjs n ALA 9 N 2.63 1.11 -1.78 0.60 0.00 -1.26 -5.12 120.51 116.69 1gjs n ALA 9 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.05 1gjs n ALA 9 Cb 0.49 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.94 1gjs n ALA 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1gjs s GLN 10 N 0.00 4.11 -0.45 0.00 0.74 -1.26 -4.93 119.66 117.87 1gjs s GLN 10 Ca 0.00 2.57 -0.24 0.00 0.05 0.00 0.00 55.36 57.74 1gjs s GLN 10 Cb 0.00 -2.97 0.03 0.00 1.10 0.00 0.00 33.01 31.17 1gjs s GLN 10 CO 0.00 -0.53 0.84 -1.58 -0.55 0.00 0.00 175.29 173.47 1gjs s HIS 11 N -1.11 2.97 0.02 1.67 5.65 -1.26 -5.02 115.29 118.22 1gjs s HIS 11 Ca 0.53 0.26 0.00 0.00 0.25 0.00 0.00 55.06 56.10 1gjs s HIS 11 Cb -0.46 -3.77 -0.02 0.00 -1.18 0.00 0.00 32.58 27.14 1gjs s HIS 11 CO 0.63 -1.02 -0.04 -0.51 -0.65 0.00 0.00 174.74 173.15 1gjs s ASP 12 N 2.17 0.33 0.12 9.88 1.01 -1.26 -5.16 116.67 123.76 1gjs s ASP 12 Ca 0.33 -0.51 -0.17 0.00 0.71 0.00 0.00 52.55 52.91 1gjs s ASP 12 Cb -0.11 0.09 0.04 0.00 1.01 0.00 0.00 42.92 43.94 1gjs s ASP 12 CO 0.24 -0.29 0.42 -1.83 0.21 0.00 0.00 175.17 173.92 1gjs s GLU 13 N -1.48 1.07 -0.63 8.23 -1.05 -1.26 -5.11 118.70 118.47 1gjs s GLU 13 Ca -0.15 -0.66 -0.20 0.00 -0.15 0.00 0.00 54.97 53.81 1gjs s GLU 13 Cb -0.10 0.47 0.09 0.00 -0.44 0.00 0.00 34.13 34.16 1gjs s GLU 13 CO -0.01 -0.42 0.83 0.00 0.95 0.00 0.00 175.26 176.61 1gjs s ALA 14 N -3.68 3.29 -0.06 -0.84 0.00 -1.26 -5.00 121.76 114.21 1gjs s ALA 14 Ca 0.02 -2.10 -0.08 0.00 0.00 0.00 0.00 51.96 49.80 1gjs s ALA 14 Cb 0.01 -3.68 0.02 0.00 0.00 0.00 0.00 23.12 19.47 1gjs s ALA 14 CO -0.11 -2.55 0.22 0.54 0.00 0.00 0.00 175.76 173.85 1gjs s VAL 15 N 3.24 0.02 -0.46 0.00 0.11 -1.26 -5.11 120.40 116.93 1gjs s VAL 15 Ca 0.17 -0.18 -0.26 0.00 -2.93 0.00 0.00 61.98 58.78 1gjs s VAL 15 Cb -0.20 -0.37 0.03 0.00 -1.53 0.00 0.00 36.38 34.31 1gjs s VAL 15 CO 0.07 -0.10 0.96 -0.62 -3.33 0.00 0.00 175.10 172.09 1gjs s ASP 16 N -0.30 6.52 -1.40 3.54 -1.08 -1.26 -4.93 116.67 117.76 1gjs s ASP 16 Ca -0.04 0.18 -0.14 0.00 -0.52 0.00 0.00 52.55 52.03 1gjs s ASP 16 Cb -0.03 -2.47 0.07 0.00 -1.46 0.00 0.00 42.92 39.03 1gjs s ASP 16 CO 0.01 -1.09 2.08 0.00 0.52 0.00 0.00 175.17 176.69 1gjs n ALA 17 N 7.29 5.21 0.04 3.66 0.00 -1.26 -3.92 120.51 131.54 1gjs n ALA 17 Ca 0.07 -3.96 0.00 0.00 0.00 0.00 0.00 53.44 49.55 1gjs n ALA 17 Cb 0.49 -3.44 0.00 0.00 0.00 0.00 0.00 19.45 16.49 1gjs n ALA 17 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1gjs n ASN 18 N 6.01 -0.74 0.14 0.00 2.85 -1.26 -4.84 115.26 117.42 1gjs n ASN 18 Ca 0.49 0.16 -0.14 0.00 -0.11 0.00 0.00 54.58 54.98 1gjs n ASN 18 Cb 0.40 1.10 -0.08 0.00 1.24 0.00 0.00 39.78 42.44 1gjs n ASN 18 CO 0.00 0.00 0.00 -1.28 -2.11 0.00 0.00 177.26 173.87 1gjs h SER 19 N 0.00 -0.25 -0.14 1.20 0.87 -1.98 1.03 113.55 114.27 1gjs h SER 19 Ca 0.00 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1gjs h SER 19 Cb 0.00 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 1gjs h SER 19 CO 0.00 -0.13 0.09 -0.07 -0.53 0.00 0.00 176.83 176.19 1gjs h LEU 20 N -0.35 0.17 0.02 2.23 -0.00 -1.93 0.30 115.31 115.74 1gjs h LEU 20 Ca -0.03 -0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 57.83 1gjs h LEU 20 Cb 0.27 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 40.89 1gjs h LEU 20 CO 0.05 0.14 -0.01 0.00 -0.00 0.00 0.00 178.44 178.62 1gjs h ALA 21 N 1.04 -0.02 -0.87 1.53 0.00 -1.84 -0.81 119.26 118.27 1gjs h ALA 21 Ca 0.05 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1gjs h ALA 21 Cb -0.00 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1gjs h ALA 21 CO -0.01 -0.42 0.58 1.49 0.00 0.00 0.00 179.25 180.88 1gjs h GLU 22 N -0.21 1.15 -0.05 0.00 4.81 0.13 0.82 114.58 121.24 1gjs h GLU 22 Ca -0.00 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1gjs h GLU 22 Cb 0.20 -0.26 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 1gjs h GLU 22 CO 0.00 0.76 0.03 0.00 -0.73 0.00 0.00 179.01 179.08 1gjs h ALA 23 N 1.32 0.06 -0.40 2.92 0.00 -0.21 0.25 119.26 123.20 1gjs h ALA 23 Ca 0.32 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 55.07 1gjs h ALA 23 Cb -0.13 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1gjs h ALA 23 CO -0.07 -0.45 -0.37 0.87 0.00 0.00 0.00 179.25 179.24 1gjs h LYS 24 N 0.06 0.95 -0.21 0.00 1.57 -0.63 -1.50 116.57 116.81 1gjs h LYS 24 Ca 0.02 -0.49 -0.01 0.00 -1.87 0.00 0.00 60.65 58.30 1gjs h LYS 24 Cb -0.01 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1gjs h LYS 24 CO -0.00 1.15 0.09 0.28 -0.57 0.00 0.00 179.45 180.40 1gjs h VAL 25 N 0.78 1.16 -0.82 0.50 2.07 0.93 0.16 116.25 121.03 1gjs h VAL 25 Ca 0.07 -0.47 -0.04 0.00 0.82 0.00 0.00 66.70 67.08 1gjs h VAL 25 Cb 0.96 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 31.77 1gjs h VAL 25 CO 0.09 0.15 0.35 -0.07 0.02 0.00 0.00 177.57 178.12 1gjs h LEU 26 N 0.20 1.11 -0.31 2.57 3.38 -0.47 -1.71 115.31 120.09 1gjs h LEU 26 Ca 0.07 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 1gjs h LEU 26 Cb 0.16 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1gjs h LEU 26 CO -0.01 0.97 -0.04 0.00 0.09 0.00 0.00 178.44 179.45 1gjs h ALA 27 N 1.19 0.42 -0.98 1.53 0.00 -0.94 -2.68 119.26 117.79 1gjs h ALA 27 Ca 0.28 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1gjs h ALA 27 Cb 0.18 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 1gjs h ALA 27 CO -0.03 0.22 0.65 -0.97 0.00 0.00 0.00 179.25 179.12 1gjs h ASN 28 N 0.35 1.13 -0.65 0.00 -0.73 -0.43 -2.16 115.58 113.09 1gjs h ASN 28 Ca 0.08 -0.03 -0.04 0.00 1.87 0.00 0.00 56.30 58.18 1gjs h ASN 28 Cb 0.51 -0.28 -0.03 0.00 0.27 0.00 0.00 38.32 38.79 1gjs h ASN 28 CO 0.02 0.82 0.26 0.03 -0.37 0.00 0.00 177.43 178.20 1gjs h ARG 29 N 1.33 1.01 -1.01 6.67 3.08 -1.19 -2.61 114.38 121.67 1gjs h ARG 29 Ca 0.36 -0.17 0.01 0.00 0.07 0.00 0.00 59.98 60.25 1gjs h ARG 29 Cb -0.15 -0.17 -0.05 0.00 0.08 0.00 0.00 29.97 29.68 1gjs h ARG 29 CO -0.08 0.82 0.67 0.93 -1.07 0.00 0.00 179.97 181.24 1gjs h GLU 30 N 0.98 1.32 -0.70 0.04 4.39 -1.05 -1.84 114.58 117.73 1gjs h GLU 30 Ca 0.23 -0.08 0.03 0.00 0.34 0.00 0.00 59.36 59.88 1gjs h GLU 30 Cb 0.20 -0.30 -0.04 0.00 -0.10 0.00 0.00 28.75 28.51 1gjs h GLU 30 CO -0.02 0.87 0.43 -0.07 -1.16 0.00 0.00 179.01 179.07 1gjs h LEU 31 N 1.36 0.71 -0.78 1.33 3.38 -1.31 -1.50 115.31 118.50 1gjs h LEU 31 Ca 0.37 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.35 1gjs h LEU 31 Cb -0.15 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.41 1gjs h LEU 31 CO -0.08 0.49 0.52 -0.78 0.09 0.00 0.00 178.44 178.68 1gjs h ASP 32 N 0.85 0.90 -0.18 -0.43 1.82 -1.28 0.35 116.42 118.44 1gjs h ASP 32 Ca 0.28 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.90 1gjs h ASP 32 Cb 0.03 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 39.80 1gjs h ASP 32 CO -0.11 0.65 0.12 0.50 -1.61 0.00 0.00 179.24 178.79 1gjs h LYS 33 N 1.06 0.24 -0.00 0.28 3.64 -0.70 -2.26 116.57 118.83 1gjs h LYS 33 Ca 0.29 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.55 1gjs h LYS 33 Cb -0.12 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.63 1gjs h LYS 33 CO -0.06 0.16 -0.50 1.88 -2.27 0.00 0.00 179.45 178.65 1gjs h TYR 34 N 0.24 0.00 0.00 1.91 0.05 -0.91 -3.47 116.97 114.80 1gjs h TYR 34 Ca 0.07 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.85 1gjs h TYR 34 Cb -0.03 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.71 1gjs h TYR 34 CO -0.07 0.50 0.00 0.41 -1.05 0.00 0.00 178.16 177.96 1gjs n GLY 35 N -0.09 1.10 3.67 3.88 0.00 0.12 -5.05 105.19 108.82 1gjs n GLY 35 Ca -0.01 -0.45 -0.31 0.00 0.00 0.00 0.00 46.02 45.25 1gjs n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gjs s VAL 36 N -2.00 2.01 0.00 1.61 1.01 -0.89 -4.95 120.40 117.19 1gjs s VAL 36 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1gjs s VAL 36 Cb 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 34.37 1gjs s VAL 36 CO 0.00 -0.00 0.00 -1.54 0.00 0.00 0.00 175.10 173.56 1gjs n SER 37 N -4.26 0.00 0.00 3.32 3.41 -1.26 -4.89 113.62 109.93 1gjs n SER 37 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 1gjs n SER 37 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1gjs n SER 37 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1gjs n ASP 38 N 0.00 0.00 0.21 4.04 -0.08 -1.26 -4.91 116.55 114.55 1gjs n ASP 38 Ca 0.00 0.00 0.08 0.00 -1.51 0.00 0.00 54.79 53.36 1gjs n ASP 38 Cb 0.00 0.15 0.40 0.00 2.34 0.00 0.00 41.12 44.01 1gjs n ASP 38 CO 0.00 0.00 0.00 0.10 0.12 0.00 0.00 177.20 177.42 1gjs h TYR 39 N 0.00 0.00 0.00 -0.67 -0.00 -2.02 0.81 116.97 115.10 1gjs h TYR 39 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 58.73 58.63 1gjs h TYR 39 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.72 1gjs h TYR 39 CO 0.00 0.00 -0.49 1.88 -0.00 0.00 0.00 178.16 179.55 1gjs h TYR 40 N 0.00 0.00 -0.46 0.10 0.05 -1.95 -2.70 116.97 112.01 1gjs h TYR 40 Ca 0.00 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.64 1gjs h TYR 40 Cb 0.76 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.49 1gjs h TYR 40 CO 0.00 0.49 -0.27 1.57 -1.05 0.00 0.00 178.16 178.90 1gjs h LYS 41 N 0.00 0.99 0.00 4.88 2.10 0.27 -2.63 116.57 122.18 1gjs h LYS 41 Ca -0.00 -0.45 -0.06 0.00 -2.00 0.00 0.00 60.65 58.13 1gjs h LYS 41 Cb 0.88 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 32.18 1gjs h LYS 41 CO 0.06 1.13 -0.28 -2.95 -2.00 0.00 0.00 179.45 175.41 1gjs h ASN 42 N 0.84 0.00 -0.83 7.07 -1.07 -1.62 -2.83 115.58 117.13 1gjs h ASN 42 Ca 0.10 0.00 -0.04 0.00 0.07 0.00 0.00 56.30 56.43 1gjs h ASN 42 Cb 0.86 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 37.07 1gjs h ASN 42 CO 0.08 0.28 0.37 0.25 0.07 0.00 0.00 177.43 178.48 1gjs h LEU 43 N 0.00 1.11 -0.54 6.14 5.85 -1.14 -2.51 115.31 124.22 1gjs h LEU 43 Ca -0.00 -0.15 -0.12 0.00 0.84 0.00 0.00 57.88 58.44 1gjs h LEU 43 Cb 0.86 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 1gjs h LEU 43 CO 0.04 0.96 -0.13 0.40 -0.34 0.00 0.00 178.44 179.37 1gjs h ILE 44 N 1.20 1.27 -0.78 4.05 1.08 -1.30 -2.90 117.51 120.12 1gjs h ILE 44 Ca 0.28 -1.29 0.23 0.00 -0.39 0.00 0.00 64.86 63.68 1gjs h ILE 44 Cb 0.16 0.98 -0.03 0.00 -3.07 0.00 0.00 36.82 34.87 1gjs h ILE 44 CO -0.03 0.46 0.56 0.78 -0.69 0.00 0.00 178.15 179.23 1gjs h ASN 45 N 0.92 0.00 -0.46 1.72 2.35 -1.34 0.24 115.58 119.02 1gjs h ASN 45 Ca 0.14 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1gjs h ASN 45 Cb 0.71 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.08 1gjs h ASN 45 CO 0.05 0.00 0.00 -0.46 -1.65 0.00 0.00 177.43 175.37 1gjs n ASN 46 N -4.30 3.84 -4.72 5.81 0.23 -1.09 -4.94 115.26 110.09 1gjs n ASN 46 Ca 0.16 -2.43 -0.42 0.00 -0.53 0.00 0.00 54.58 51.36 1gjs n ASN 46 Cb 0.85 -0.53 -0.03 0.00 -2.08 0.00 0.00 39.78 37.99 1gjs n ASN 46 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1gjs s ALA 47 N -1.91 3.92 -0.15 -2.53 0.00 0.85 -4.88 121.76 117.05 1gjs s ALA 47 Ca 0.38 1.58 0.21 0.00 0.00 0.00 0.00 51.96 54.13 1gjs s ALA 47 Cb 0.26 -3.69 -0.13 0.00 0.00 0.00 0.00 23.12 19.55 1gjs s ALA 47 CO 0.16 -0.92 0.80 1.63 0.00 0.00 0.00 175.76 177.43 1gjs n LYS 48 N 3.82 0.63 -3.98 0.00 5.02 -1.26 -4.95 118.16 117.44 1gjs n LYS 48 Ca 0.15 0.03 -0.09 0.00 -2.02 0.00 0.00 58.31 56.38 1gjs n LYS 48 Cb 0.36 -1.72 -0.11 0.00 -0.02 0.00 0.00 35.03 33.54 1gjs n LYS 48 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1gjs s THR 49 N -3.32 0.12 0.19 -0.18 -4.23 -1.26 -5.04 115.64 101.92 1gjs s THR 49 Ca -0.04 -0.91 -0.09 0.00 -1.18 0.00 0.00 61.69 59.48 1gjs s THR 49 Cb 0.11 -0.26 0.11 0.00 1.34 0.00 0.00 72.50 73.79 1gjs s THR 49 CO 0.83 -0.50 1.70 0.58 -0.54 0.00 0.00 174.62 176.70 1gjs h VAL 50 N 4.65 1.26 -0.57 2.29 2.07 -1.98 -2.03 116.25 121.95 1gjs h VAL 50 Ca -0.32 -1.01 0.01 0.00 0.82 0.00 0.00 66.70 66.19 1gjs h VAL 50 Cb 1.21 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 1gjs h VAL 50 CO 0.41 0.39 0.38 1.05 0.02 0.00 0.00 177.57 179.81 1gjs h GLU 51 N 1.06 0.75 -0.02 1.57 4.11 -2.00 0.13 114.58 120.17 1gjs h GLU 51 Ca 0.21 -0.04 -0.06 0.00 0.07 0.00 0.00 59.36 59.54 1gjs h GLU 51 Cb 0.41 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1gjs h GLU 51 CO 0.01 0.49 -0.25 0.78 0.07 0.00 0.00 179.01 180.12 1gjs h GLY 52 N 0.77 0.04 0.78 1.06 0.00 -1.79 -1.44 103.07 102.50 1gjs h GLY 52 Ca 0.21 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 1gjs h GLY 52 CO -0.04 0.03 0.01 -2.08 0.00 0.00 0.00 176.54 174.46 1gjs h VAL 53 N 0.04 1.22 -0.52 4.60 2.07 -0.36 -0.50 116.25 122.80 1gjs h VAL 53 Ca 0.00 -0.67 -0.13 0.00 0.82 0.00 0.00 66.70 66.73 1gjs h VAL 53 Cb 0.46 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 1gjs h VAL 53 CO 0.03 0.19 -0.16 0.11 0.02 0.00 0.00 177.57 177.76 1gjs h LYS 54 N -0.09 1.03 -0.72 1.57 1.57 -1.25 -1.97 116.57 116.71 1gjs h LYS 54 Ca 0.03 -0.41 -0.07 0.00 -1.87 0.00 0.00 60.65 58.33 1gjs h LYS 54 Cb 0.28 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 1gjs h LYS 54 CO 0.00 1.10 0.18 0.00 -0.57 0.00 0.00 179.45 180.16 1gjs h ALA 55 N 0.90 0.95 -0.37 3.86 0.00 -1.20 0.68 119.26 124.08 1gjs h ALA 55 Ca 0.13 -0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.62 1gjs h ALA 55 Cb 0.74 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1gjs h ALA 55 CO 0.06 0.67 -0.40 1.25 0.00 0.00 0.00 179.25 180.83 1gjs h LEU 56 N 1.09 0.99 -0.14 0.00 5.85 -0.97 0.39 115.31 122.52 1gjs h LEU 56 Ca 0.23 -0.47 -0.23 0.00 0.84 0.00 0.00 57.88 58.24 1gjs h LEU 56 Cb 0.37 -0.28 0.01 0.00 0.37 0.00 0.00 40.66 41.14 1gjs h LEU 56 CO 0.00 1.27 -0.82 0.40 -0.34 0.00 0.00 178.44 178.95 1gjs h ILE 57 N 0.74 1.27 -0.63 4.05 1.08 -1.18 -1.52 117.51 121.32 1gjs h ILE 57 Ca 0.05 -2.01 -0.10 0.00 -0.39 0.00 0.00 64.86 62.42 1gjs h ILE 57 Cb 1.00 2.03 -0.02 0.00 -3.07 0.00 0.00 36.82 36.75 1gjs h ILE 57 CO 0.10 0.64 0.02 0.44 -0.69 0.00 0.00 178.15 178.65 1gjs h ASP 58 N 0.53 1.07 -0.14 1.72 3.32 0.48 0.55 116.42 123.96 1gjs h ASP 58 Ca -0.06 -0.30 -0.18 0.00 0.02 0.00 0.00 57.03 56.51 1gjs h ASP 58 Cb 1.45 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 40.71 1gjs h ASP 58 CO 0.17 1.10 -0.58 1.05 -1.72 0.00 0.00 179.24 179.26 1gjs h GLU 59 N 1.00 0.74 -0.26 3.56 4.11 -0.22 0.18 114.58 123.69 1gjs h GLU 59 Ca 0.18 -0.49 -0.10 0.00 0.07 0.00 0.00 59.36 59.02 1gjs h GLU 59 Cb 0.55 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 1gjs h GLU 59 CO 0.03 1.11 -0.23 0.82 0.07 0.00 0.00 179.01 180.81 1gjs h ILE 60 N 0.56 1.31 -0.09 -1.06 2.04 -1.03 -2.54 117.51 116.69 1gjs h ILE 60 Ca 0.00 -1.38 -0.12 0.00 1.00 0.00 0.00 64.86 64.37 1gjs h ILE 60 Cb 1.17 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 38.86 1gjs h ILE 60 CO 0.12 0.43 -0.47 -0.07 0.00 0.00 0.00 178.15 178.16 1gjs h LEU 61 N 0.33 0.25 -0.50 1.44 3.38 0.15 -2.87 115.31 117.49 1gjs h LEU 61 Ca 0.05 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.91 1gjs h LEU 61 Cb 0.78 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 1gjs h LEU 61 CO 0.06 0.69 0.33 0.00 0.09 0.00 0.00 178.44 179.60 1gjs h ALA 62 N 1.32 0.63 0.00 1.53 0.00 -0.47 -2.73 119.26 119.55 1gjs h ALA 62 Ca 0.01 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1gjs h ALA 62 Cb 0.91 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1gjs h ALA 62 CO 0.07 0.07 -0.00 0.00 0.00 0.00 0.00 179.25 179.39 1gjs h ALA 63 N 1.18 -0.00 -2.55 0.00 0.00 -1.28 -3.42 119.26 113.20 1gjs h ALA 63 Ca 0.18 -0.01 -0.50 0.00 0.00 0.00 0.00 54.91 54.59 1gjs h ALA 63 Cb -0.07 0.00 0.06 0.00 0.00 0.00 0.00 17.79 17.78 1gjs h ALA 63 CO -0.04 -0.50 0.42 -0.51 0.00 0.00 0.00 179.25 178.63 1gjs s LEU 64 N -10.16 3.77 0.00 0.00 1.43 -1.03 -5.14 118.68 107.55 1gjs s LEU 64 Ca -0.13 2.13 0.00 0.00 -1.03 0.00 0.00 54.13 55.10 1gjs s LEU 64 Cb 0.06 -4.58 0.00 0.00 0.03 0.00 0.00 46.19 41.70 1gjs s LEU 64 CO 0.66 -1.14 0.48 -0.81 0.23 0.00 0.00 176.35 175.77