#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jrg s PHE 2 N 0.00 3.20 0.42 2.03 0.40 -1.26 -5.11 117.98 117.67 3jrg s PHE 2 Ca 0.00 0.19 -0.22 0.00 -0.60 0.00 0.00 56.93 56.29 3jrg s PHE 2 Cb 0.00 -1.83 -0.09 0.00 0.51 0.00 0.00 43.02 41.61 3jrg s PHE 2 CO 0.00 0.44 1.01 -1.21 0.70 0.00 0.00 175.22 176.17 3jrg s GLU 3 N -0.74 4.11 0.37 0.44 2.02 -1.26 -4.98 118.70 118.66 3jrg s GLU 3 Ca 0.12 1.36 -0.28 0.00 0.02 0.00 0.00 54.97 56.19 3jrg s GLU 3 Cb -0.12 -2.35 -0.10 0.00 0.10 0.00 0.00 34.13 31.66 3jrg s GLU 3 CO 0.02 -0.16 1.40 -1.14 0.02 0.00 0.00 175.26 175.40 3jrg s GLN 4 N -2.82 4.16 -0.45 1.61 0.74 -1.26 -4.99 119.66 116.66 3jrg s GLN 4 Ca 0.61 2.40 0.03 0.00 0.05 0.00 0.00 55.36 58.44 3jrg s GLN 4 Cb -0.17 -2.97 0.13 0.00 1.10 0.00 0.00 33.01 31.10 3jrg s GLN 4 CO 0.22 -0.42 0.22 0.50 -0.55 0.00 0.00 175.29 175.26 3jrg s ARG 5 N -2.02 1.45 0.87 1.67 3.52 -1.26 -5.12 118.95 118.06 3jrg s ARG 5 Ca 0.52 -2.10 -0.12 0.00 -0.13 0.00 0.00 55.73 53.90 3jrg s ARG 5 Cb -0.43 -2.64 0.08 0.00 -1.56 0.00 0.00 34.95 30.40 3jrg s ARG 5 CO 0.58 -1.12 0.91 1.33 -0.81 0.00 0.00 175.30 176.19 3jrg n VAL 6 N 3.57 0.85 0.26 7.11 0.24 -1.26 -4.79 118.33 124.31 3jrg n VAL 6 Ca 0.06 -0.16 0.14 0.00 -2.04 0.00 0.00 64.34 62.34 3jrg n VAL 6 Cb 0.35 -0.94 0.72 0.00 -1.47 0.00 0.00 33.84 32.50 3jrg n VAL 6 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 3jrg h ASN 7 N -1.33 0.00 -0.80 -1.34 -0.26 -2.02 -0.44 115.58 109.40 3jrg h ASN 7 Ca -0.44 0.00 0.10 0.00 -0.56 0.00 0.00 56.30 55.40 3jrg h ASN 7 Cb 1.29 0.00 -0.06 0.00 -1.06 0.00 0.00 38.32 38.50 3jrg h ASN 7 CO 0.41 0.11 0.52 0.28 -1.06 0.00 0.00 177.43 177.69 3jrg h SER 8 N 0.00 0.64 -0.36 5.81 0.02 -1.94 -3.11 113.55 114.60 3jrg h SER 8 Ca -0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3jrg h SER 8 Cb 0.40 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.83 3jrg h SER 8 CO 0.01 0.38 0.00 0.47 -1.14 0.00 0.00 176.83 176.55 3jrg n ASP 9 N -4.51 3.24 -0.03 3.07 9.92 -0.18 -4.23 116.55 123.83 3jrg n ASP 9 Ca 0.14 -1.96 -0.14 0.00 -0.53 0.00 0.00 54.79 52.29 3jrg n ASP 9 Cb 0.35 -0.23 -0.10 0.00 -0.64 0.00 0.00 41.12 40.50 3jrg n ASP 9 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 3jrg h VAL 10 N 4.19 1.44 -3.68 2.53 2.07 -1.53 -3.40 116.25 117.88 3jrg h VAL 10 Ca 0.00 -1.65 -0.69 0.00 0.82 0.00 0.00 66.70 65.17 3jrg h VAL 10 Cb 0.92 2.36 -0.29 0.00 -1.52 0.00 0.00 31.29 32.76 3jrg h VAL 10 CO 0.00 0.47 -0.62 -0.76 0.02 0.00 0.00 177.57 176.68 3jrg s LEU 11 N -8.77 4.29 0.07 2.57 1.43 -1.26 -5.09 118.68 111.91 3jrg s LEU 11 Ca -0.15 -1.18 0.02 0.00 -1.03 0.00 0.00 54.13 51.79 3jrg s LEU 11 Cb 0.03 -1.85 -0.03 0.00 0.03 0.00 0.00 46.19 44.37 3jrg s LEU 11 CO 0.75 -0.32 -0.08 0.42 0.23 0.00 0.00 176.35 177.35 3jrg s THR 12 N 1.38 0.63 0.00 5.49 -4.23 -1.26 -1.37 115.64 116.28 3jrg s THR 12 Ca -0.02 -1.42 0.07 0.00 -1.18 0.00 0.00 61.69 59.13 3jrg s THR 12 Cb -0.20 -1.05 -0.02 0.00 1.34 0.00 0.00 72.50 72.58 3jrg s THR 12 CO 0.02 -0.56 -0.20 0.54 -0.54 0.00 0.00 174.62 173.87 3jrg s VAL 13 N -2.24 1.62 0.25 2.29 0.11 -0.21 -4.87 120.40 117.36 3jrg s VAL 13 Ca -0.01 -0.97 -0.30 0.00 -2.93 0.00 0.00 61.98 57.77 3jrg s VAL 13 Cb -0.04 -1.37 -0.10 0.00 -1.53 0.00 0.00 36.38 33.35 3jrg s VAL 13 CO -0.01 0.38 1.32 -0.44 -3.33 0.00 0.00 175.10 173.01 3jrg s SER 14 N -0.69 6.84 0.26 3.54 0.01 -1.26 -1.57 113.70 120.83 3jrg s SER 14 Ca 0.08 2.53 0.01 0.00 1.31 0.00 0.00 55.95 59.87 3jrg s SER 14 Cb -0.08 -2.63 -0.05 0.00 0.21 0.00 0.00 66.02 63.48 3jrg s SER 14 CO 0.00 -0.53 0.11 0.42 0.41 0.00 0.00 173.24 173.65 3jrg s THR 15 N -0.38 0.46 -0.06 1.44 -4.23 0.16 -4.92 115.64 108.10 3jrg s THR 15 Ca 0.54 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.09 3jrg s THR 15 Cb -0.38 -2.60 -0.00 0.00 1.34 0.00 0.00 72.50 70.85 3jrg s THR 15 CO 0.44 0.00 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.64 3jrg s VAL 16 N -3.78 1.62 0.53 2.29 1.01 -1.26 -0.66 120.40 120.15 3jrg s VAL 16 Ca 0.38 -0.80 0.06 0.00 0.00 0.00 0.00 61.98 61.62 3jrg s VAL 16 Cb 0.07 -1.40 0.05 0.00 0.00 0.00 0.00 36.38 35.11 3jrg s VAL 16 CO 0.14 0.46 0.73 0.54 0.00 0.00 0.00 175.10 176.97 3jrg s ASN 17 N 0.16 5.25 0.00 3.32 4.22 -1.08 -4.94 114.94 121.88 3jrg s ASN 17 Ca -0.09 -0.46 0.00 0.00 -2.14 0.00 0.00 52.86 50.17 3jrg s ASN 17 Cb -0.14 -0.33 0.00 0.00 1.28 0.00 0.00 41.25 42.06 3jrg s ASN 17 CO 0.04 -1.14 0.74 -1.54 -2.04 0.00 0.00 177.10 173.15 3jrg n SER 18 N -2.18 0.00 -1.25 3.54 3.41 -1.26 -0.33 113.62 115.55 3jrg n SER 18 Ca 0.11 0.27 -0.04 0.00 -0.26 0.00 0.00 58.87 58.95 3jrg n SER 18 Cb 0.60 -0.27 0.21 0.00 -0.26 0.00 0.00 64.21 64.49 3jrg n SER 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3jrg n GLN 19 N -1.24 2.14 -4.15 4.33 3.00 -1.26 -4.93 117.38 115.26 3jrg n GLN 19 Ca 0.00 -3.10 -0.35 0.00 -0.01 0.00 0.00 57.00 53.54 3jrg n GLN 19 Cb 0.12 -1.87 -0.02 0.00 0.00 0.00 0.00 30.24 28.47 3jrg n GLN 19 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 3jrg n ASP 20 N -0.99 -3.59 -4.21 1.08 9.92 0.55 -4.88 116.55 114.44 3jrg n ASP 20 Ca 0.34 -0.95 -0.34 0.00 -0.53 0.00 0.00 54.79 53.31 3jrg n ASP 20 Cb 1.09 -2.92 -0.15 0.00 -0.64 0.00 0.00 41.12 38.50 3jrg n ASP 20 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 3jrg s GLN 21 N -6.86 3.06 0.25 -1.24 2.00 -1.25 -4.96 119.66 110.67 3jrg s GLN 21 Ca 0.73 -0.81 -0.30 0.00 -2.00 0.00 0.00 55.36 52.98 3jrg s GLN 21 Cb -0.39 -2.85 -0.09 0.00 0.80 0.00 0.00 33.01 30.47 3jrg s GLN 21 CO 0.90 -0.27 1.07 0.08 -0.50 0.00 0.00 175.29 176.57 3jrg s VAL 22 N 1.36 3.66 -0.22 1.34 1.01 -1.26 -2.64 120.40 123.65 3jrg s VAL 22 Ca 0.04 1.63 -0.25 0.00 0.00 0.00 0.00 61.98 63.40 3jrg s VAL 22 Cb -0.15 -4.04 0.07 0.00 0.00 0.00 0.00 36.38 32.26 3jrg s VAL 22 CO -0.07 0.37 0.67 0.28 0.00 0.00 0.00 175.10 176.35 3jrg s THR 23 N -1.01 0.00 0.61 3.92 -1.32 0.16 -4.98 115.64 113.03 3jrg s THR 23 Ca 0.45 -0.01 -0.15 0.00 -1.21 0.00 0.00 61.69 60.76 3jrg s THR 23 Cb -0.30 -0.94 -0.03 0.00 -1.51 0.00 0.00 72.50 69.71 3jrg s THR 23 CO 0.38 -0.01 1.07 -1.10 -2.21 0.00 0.00 174.62 172.76 3jrg s GLN 24 N 0.08 3.20 -0.01 7.08 -1.52 -1.26 0.36 119.66 127.59 3jrg s GLN 24 Ca -0.02 1.23 -0.15 0.00 -1.95 0.00 0.00 55.36 54.46 3jrg s GLN 24 Cb -0.04 -2.01 0.02 0.00 -0.22 0.00 0.00 33.01 30.76 3jrg s GLN 24 CO 0.02 -0.91 0.32 -1.59 -0.25 0.00 0.00 175.29 172.89 3jrg s LYS 25 N -4.12 0.69 0.47 2.91 -2.85 -0.61 -4.82 119.74 111.41 3jrg s LYS 25 Ca 0.64 -0.20 -0.21 0.00 -1.00 0.00 0.00 55.97 55.20 3jrg s LYS 25 Cb -0.17 0.31 -0.11 0.00 -2.06 0.00 0.00 37.83 35.80 3jrg s LYS 25 CO 0.39 -0.19 0.54 -2.30 0.10 0.00 0.00 175.35 173.88 3jrg n PRO 26 N 1.21 0.58 -0.09 1.78 -0.02 -1.26 -1.04 135.00 136.17 3jrg n PRO 26 Ca -0.21 0.22 -0.02 0.00 -2.02 0.00 0.00 63.50 61.46 3jrg n PRO 26 Cb 0.56 -1.59 0.22 0.00 -0.02 0.00 0.00 33.50 32.67 3jrg n PRO 26 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3jrg h LEU 27 N 0.63 0.68 -0.83 2.45 5.85 -1.41 -2.95 115.31 119.74 3jrg h LEU 27 Ca -0.42 -0.13 0.15 0.00 0.84 0.00 0.00 57.88 58.32 3jrg h LEU 27 Cb 1.40 -0.18 -0.15 0.00 0.37 0.00 0.00 40.66 42.10 3jrg h LEU 27 CO 0.50 0.71 -0.24 0.54 -0.34 0.00 0.00 178.44 179.61 3jrg n ARG 28 N -4.27 -0.11 0.14 1.25 1.74 -1.26 -0.77 116.66 113.39 3jrg n ARG 28 Ca 0.03 1.28 0.01 0.00 -0.77 0.00 0.00 57.85 58.40 3jrg n ARG 28 Cb 0.24 -1.91 0.31 0.00 -1.02 0.00 0.00 32.46 30.08 3jrg n ARG 28 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3jrg h ASP 29 N 0.00 0.12 -0.08 0.55 3.32 -1.88 0.14 116.42 118.59 3jrg h ASP 29 Ca 0.37 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.37 3jrg h ASP 29 Cb 0.57 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 3jrg h ASP 29 CO -0.84 0.47 0.03 0.28 -1.72 0.00 0.00 179.24 177.46 3jrg h SER 30 N 0.11 0.11 -0.86 6.45 0.02 -1.06 0.14 113.55 118.46 3jrg h SER 30 Ca 0.01 -0.19 0.02 0.00 -0.84 0.00 0.00 61.79 60.79 3jrg h SER 30 Cb 0.68 -0.03 -0.05 0.00 0.14 0.00 0.00 62.40 63.14 3jrg h SER 30 CO 0.05 0.28 0.56 0.58 -1.14 0.00 0.00 176.83 177.16 3jrg h VAL 31 N -0.05 1.18 -0.46 2.27 2.07 -0.91 0.13 116.25 120.48 3jrg h VAL 31 Ca 0.03 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.15 3jrg h VAL 31 Cb 0.20 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 29.91 3jrg h VAL 31 CO -0.00 0.21 0.27 0.50 0.02 0.00 0.00 177.57 178.56 3jrg h LYS 32 N 1.13 0.63 -0.26 1.57 3.64 -0.51 -2.76 116.57 120.01 3jrg h LYS 32 Ca 0.33 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.60 3jrg h LYS 32 Cb -0.07 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 3jrg h LYS 32 CO -0.09 0.48 -0.00 0.37 -2.27 0.00 0.00 179.45 177.94 3jrg h GLN 33 N 0.61 0.45 -0.86 1.90 4.15 -0.14 -1.71 115.11 119.51 3jrg h GLN 33 Ca 0.16 -0.14 0.12 0.00 0.77 0.00 0.00 58.65 59.56 3jrg h GLN 33 Cb 0.02 -0.04 -0.06 0.00 0.21 0.00 0.00 27.48 27.60 3jrg h GLN 33 CO -0.03 0.62 0.56 0.00 -1.93 0.00 0.00 178.83 178.05 3jrg h ALA 34 N 0.81 1.77 -0.00 3.38 0.00 -0.68 0.11 119.26 124.65 3jrg h ALA 34 Ca 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3jrg h ALA 34 Cb 0.42 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3jrg h ALA 34 CO 0.01 0.03 -0.09 -0.07 0.00 0.00 0.00 179.25 179.13 3jrg h LEU 35 N 0.74 0.08 -0.82 0.00 3.38 -1.41 0.50 115.31 117.78 3jrg h LEU 35 Ca 0.41 -0.76 0.17 0.00 0.09 0.00 0.00 57.88 57.80 3jrg h LEU 35 Cb 0.57 -0.02 -0.15 0.00 0.09 0.00 0.00 40.66 41.14 3jrg h LEU 35 CO -0.18 0.83 -0.15 0.50 0.09 0.00 0.00 178.44 179.54 3jrg h LYS 36 N -0.66 0.02 -0.22 1.13 3.64 -0.86 0.20 116.57 119.82 3jrg h LYS 36 Ca -0.01 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 3jrg h LYS 36 Cb 0.84 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.65 3jrg h LYS 36 CO 0.02 0.01 0.02 -0.97 -2.27 0.00 0.00 179.45 176.26 3jrg h ASN 37 N 0.02 0.37 -0.94 4.20 -0.73 -0.98 -2.66 115.58 114.87 3jrg h ASN 37 Ca 0.41 -0.29 0.13 0.00 1.87 0.00 0.00 56.30 58.42 3jrg h ASN 37 Cb 0.68 -0.10 -0.09 0.00 0.27 0.00 0.00 38.32 39.08 3jrg h ASN 37 CO -0.82 0.57 0.56 0.22 -0.37 0.00 0.00 177.43 177.59 3jrg h TYR 38 N 0.17 1.01 -0.31 0.67 5.03 0.66 -2.40 116.97 121.79 3jrg h TYR 38 Ca 0.07 0.03 -0.17 0.00 2.58 0.00 0.00 58.73 61.24 3jrg h TYR 38 Cb 0.37 -0.31 -0.00 0.00 1.55 0.00 0.00 36.73 38.33 3jrg h TYR 38 CO 0.03 0.36 -0.49 0.74 -1.32 0.00 0.00 178.16 177.48 3jrg h PHE 39 N 0.86 1.04 -0.62 -3.82 0.04 -0.54 -2.92 116.94 110.98 3jrg h PHE 39 Ca 0.48 -0.35 0.13 0.00 2.80 0.00 0.00 57.97 61.03 3jrg h PHE 39 Cb 0.53 -0.20 -0.11 0.00 2.20 0.00 0.00 35.95 38.37 3jrg h PHE 39 CO -0.03 1.16 -0.09 0.00 -0.60 0.00 0.00 178.31 178.74 3jrg h ALA 40 N 0.78 0.49 0.00 2.45 0.00 -1.08 -1.03 119.26 120.87 3jrg h ALA 40 Ca 0.03 0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 3jrg h ALA 40 Cb 1.08 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 19.28 3jrg h ALA 40 CO 0.11 -0.42 -0.13 1.96 0.00 0.00 0.00 179.25 180.77 3jrg h GLN 41 N 0.04 0.00 -5.66 0.00 4.20 -1.40 -3.39 115.11 108.90 3jrg h GLN 41 Ca 0.31 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.71 3jrg h GLN 41 Cb 0.49 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 3jrg h GLN 41 CO -0.59 0.13 0.90 -0.51 -0.67 0.00 0.00 178.83 178.09 3jrg s LEU 42 N -6.81 3.17 -0.60 1.46 1.02 -0.39 -4.85 118.68 111.69 3jrg s LEU 42 Ca -0.01 0.15 0.06 0.00 0.02 0.00 0.00 54.13 54.35 3jrg s LEU 42 Cb 0.11 -2.54 0.21 0.00 0.02 0.00 0.00 46.19 44.00 3jrg s LEU 42 CO 0.59 -2.99 0.58 0.59 0.02 0.00 0.00 176.35 175.14 3jrg n ASN 43 N 15.36 2.48 -2.85 2.29 3.02 -1.26 -4.67 115.26 129.63 3jrg n ASN 43 Ca 0.36 -3.13 -0.12 0.00 -0.03 0.00 0.00 54.58 51.67 3jrg n ASN 43 Cb 0.49 -0.68 0.03 0.00 -0.61 0.00 0.00 39.78 39.01 3jrg n ASN 43 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3jrg n GLY 44 N 1.55 2.05 3.80 7.41 0.00 -1.26 -5.15 105.19 113.58 3jrg n GLY 44 Ca 0.25 -1.05 -0.30 0.00 0.00 0.00 0.00 46.02 44.92 3jrg n GLY 44 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3jrg s GLN 45 N -1.90 1.96 0.73 1.61 0.00 -1.26 -5.04 119.66 115.76 3jrg s GLN 45 Ca 0.30 0.59 -0.11 0.00 -0.00 0.00 0.00 55.36 56.14 3jrg s GLN 45 Cb 0.39 -1.91 0.03 0.00 0.00 0.00 0.00 33.01 31.52 3jrg s GLN 45 CO -0.03 -1.70 1.08 0.16 0.00 0.00 0.00 175.29 174.80 3jrg s ASP 46 N -3.92 5.16 0.11 12.60 -4.77 -1.26 -4.98 116.67 119.61 3jrg s ASP 46 Ca 0.61 1.35 0.07 0.00 -3.30 0.00 0.00 52.55 51.29 3jrg s ASP 46 Cb -0.14 -2.18 -0.03 0.00 -1.09 0.00 0.00 42.92 39.47 3jrg s ASP 46 CO 0.54 -1.55 -0.19 -0.69 0.70 0.00 0.00 175.17 173.99 3jrg s VAL 47 N -3.18 1.58 -0.02 2.11 1.01 -1.26 -5.05 120.40 115.59 3jrg s VAL 47 Ca 0.59 -1.56 0.03 0.00 0.00 0.00 0.00 61.98 61.03 3jrg s VAL 47 Cb -0.13 -1.50 0.04 0.00 0.00 0.00 0.00 36.38 34.79 3jrg s VAL 47 CO 0.54 -0.15 0.97 -0.46 0.00 0.00 0.00 175.10 175.99 3jrg n ASN 48 N 0.97 0.38 -0.29 3.32 6.94 -1.26 -4.89 115.26 120.42 3jrg n ASN 48 Ca -0.19 -2.05 0.00 0.00 -0.02 0.00 0.00 54.58 52.32 3jrg n ASN 48 Cb 0.54 -0.21 0.00 0.00 -2.36 0.00 0.00 39.78 37.76 3jrg n ASN 48 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 3jrg n ASP 49 N -0.22 0.00 0.21 0.53 5.75 -1.26 -4.95 116.55 116.61 3jrg n ASP 49 Ca 0.02 -1.36 0.06 0.00 -0.01 0.00 0.00 54.79 53.51 3jrg n ASP 49 Cb 0.66 -0.07 0.56 0.00 -1.03 0.00 0.00 41.12 41.24 3jrg n ASP 49 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 3jrg h LEU 50 N 0.00 0.06 0.46 -2.12 5.85 -1.98 0.20 115.31 117.78 3jrg h LEU 50 Ca 0.00 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 3jrg h LEU 50 Cb 1.14 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.16 3jrg h LEU 50 CO 0.00 0.12 -0.22 0.22 -0.34 0.00 0.00 178.44 178.22 3jrg h TYR 51 N 0.07 -0.57 -0.02 1.25 3.20 -1.99 -1.74 116.97 117.18 3jrg h TYR 51 Ca 0.02 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3jrg h TYR 51 Cb 0.12 0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.58 3jrg h TYR 51 CO 0.00 -0.36 0.01 1.49 -1.64 0.00 0.00 178.16 177.67 3jrg h GLU 52 N -1.07 0.00 0.50 1.82 4.57 -1.88 0.53 114.58 119.06 3jrg h GLU 52 Ca -0.06 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.09 3jrg h GLU 52 Cb 0.47 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 3jrg h GLU 52 CO 0.10 0.00 -0.24 1.25 -1.18 0.00 0.00 179.01 178.95 3jrg h LEU 53 N 0.00 -0.56 0.42 1.64 5.85 -0.65 -2.12 115.31 119.88 3jrg h LEU 53 Ca 0.01 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 3jrg h LEU 53 Cb 0.03 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.21 3jrg h LEU 53 CO -0.00 -0.40 -0.20 0.58 -0.34 0.00 0.00 178.44 178.08 3jrg h VAL 54 N -0.67 0.55 -0.84 1.05 2.07 -0.11 -2.89 116.25 115.42 3jrg h VAL 54 Ca -0.07 -0.38 0.21 0.00 0.82 0.00 0.00 66.70 67.28 3jrg h VAL 54 Cb 0.51 0.73 -0.15 0.00 -1.52 0.00 0.00 31.29 30.86 3jrg h VAL 54 CO 0.11 0.07 0.05 0.25 0.02 0.00 0.00 177.57 178.07 3jrg h LEU 55 N -0.79 -0.32 -1.12 2.57 5.85 -0.11 0.15 115.31 121.54 3jrg h LEU 55 Ca -0.06 0.22 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 3jrg h LEU 55 Cb 0.54 0.37 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 3jrg h LEU 55 CO 0.09 -0.22 0.07 0.00 -0.34 0.00 0.00 178.44 178.04 3jrg h ALA 56 N 1.80 1.29 0.00 1.25 0.00 -1.33 0.34 119.26 122.60 3jrg h ALA 56 Ca 0.49 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 3jrg h ALA 56 Cb 0.93 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3jrg h ALA 56 CO -0.73 0.49 -0.45 1.49 0.00 0.00 0.00 179.25 180.04 3jrg h GLU 57 N 0.66 0.00 0.08 0.00 4.57 -0.52 -3.11 114.58 116.27 3jrg h GLU 57 Ca 0.14 0.00 -0.36 0.00 -1.18 0.00 0.00 59.36 57.96 3jrg h GLU 57 Cb 0.31 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.87 3jrg h GLU 57 CO 0.00 0.45 -2.05 0.28 -1.18 0.00 0.00 179.01 176.52 3jrg n VAL 58 N -3.95 1.70 -0.19 0.32 0.31 -0.73 -4.36 118.33 111.43 3jrg n VAL 58 Ca -0.02 -0.67 -0.08 0.00 -0.01 0.00 0.00 64.34 63.57 3jrg n VAL 58 Cb 0.48 -1.54 0.02 0.00 -0.91 0.00 0.00 33.84 31.89 3jrg n VAL 58 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3jrg h GLU 59 N 0.05 0.79 0.01 5.55 5.08 -0.42 -3.10 114.58 122.54 3jrg h GLU 59 Ca -0.43 -0.13 0.03 0.00 -1.00 0.00 0.00 59.36 57.82 3jrg h GLU 59 Cb 2.02 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 31.08 3jrg h GLU 59 CO 0.06 0.68 -0.40 1.96 -1.00 0.00 0.00 179.01 180.31 3jrg h GLN 60 N 0.73 -0.54 -0.36 2.33 4.20 -1.74 -1.17 115.11 118.57 3jrg h GLN 60 Ca 0.18 0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.87 3jrg h GLN 60 Cb 0.17 0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 3jrg h GLN 60 CO -0.02 -0.36 -0.04 -1.35 -0.67 0.00 0.00 178.83 176.40 3jrg h PRO 61 N -0.56 0.59 0.16 1.46 0.11 -1.76 0.93 132.00 132.94 3jrg h PRO 61 Ca 0.05 -0.15 -0.00 0.00 0.11 0.00 0.00 66.00 66.01 3jrg h PRO 61 Cb 0.63 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.67 3jrg h PRO 61 CO -0.30 0.64 -0.10 1.25 -0.21 0.00 0.00 178.00 179.27 3jrg h LEU 62 N 0.56 -0.26 0.46 2.35 5.85 -1.40 0.40 115.31 123.25 3jrg h LEU 62 Ca 0.11 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 3jrg h LEU 62 Cb 0.42 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.53 3jrg h LEU 62 CO 0.02 -0.17 -0.22 -0.07 -0.34 0.00 0.00 178.44 177.66 3jrg h LEU 63 N -0.26 -0.52 -0.79 2.25 3.38 -1.06 0.74 115.31 119.04 3jrg h LEU 63 Ca -0.01 0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.10 3jrg h LEU 63 Cb 0.22 0.13 -0.14 0.00 0.09 0.00 0.00 40.66 40.97 3jrg h LEU 63 CO 0.01 -0.36 -0.33 -0.78 0.09 0.00 0.00 178.44 177.07 3jrg h ASP 64 N -0.64 -1.20 -0.12 -0.43 1.82 -0.65 0.30 116.42 115.50 3jrg h ASP 64 Ca -0.06 0.26 -0.05 0.00 -0.39 0.00 0.00 57.03 56.79 3jrg h ASP 64 Cb 0.48 0.64 -0.00 0.00 0.68 0.00 0.00 39.33 41.13 3jrg h ASP 64 CO 0.10 -0.29 -0.11 -0.03 -1.61 0.00 0.00 179.24 177.30 3jrg h MET 65 N -0.07 0.28 -0.80 0.28 4.05 0.02 -2.61 114.93 116.08 3jrg h MET 65 Ca 0.30 -0.14 0.01 0.00 -0.28 0.00 0.00 59.70 59.59 3jrg h MET 65 Cb 0.58 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.34 3jrg h MET 65 CO -0.83 0.68 0.53 0.28 0.23 0.00 0.00 176.91 177.80 3jrg h VAL 66 N -0.10 1.20 -0.41 -5.77 2.07 -0.21 -1.32 116.25 111.69 3jrg h VAL 66 Ca 0.02 -0.37 -0.08 0.00 0.82 0.00 0.00 66.70 67.09 3jrg h VAL 66 Cb 0.62 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 3jrg h VAL 66 CO 0.03 0.20 -0.07 0.24 0.02 0.00 0.00 177.57 177.98 3jrg h MET 67 N 1.08 0.71 -0.58 1.57 2.07 -0.96 0.31 114.93 119.13 3jrg h MET 67 Ca 0.30 -0.21 -0.01 0.00 -2.07 0.00 0.00 59.70 57.70 3jrg h MET 67 Cb -0.11 -0.07 -0.03 0.00 -1.87 0.00 0.00 31.60 29.52 3jrg h MET 67 CO -0.07 0.78 0.31 1.96 1.07 0.00 0.00 176.91 180.95 3jrg h GLN 68 N 0.66 0.82 0.02 1.72 4.20 -1.05 0.21 115.11 121.68 3jrg h GLN 68 Ca 0.12 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 3jrg h GLN 68 Cb 0.51 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.14 3jrg h GLN 68 CO 0.03 0.64 -0.01 -0.92 -0.67 0.00 0.00 178.83 177.90 3jrg h TYR 69 N 0.79 -0.03 0.00 2.96 3.20 -0.67 -2.29 116.97 120.94 3jrg h TYR 69 Ca 0.20 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.07 3jrg h TYR 69 Cb 0.07 0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.35 3jrg h TYR 69 CO -0.01 0.13 0.00 0.25 -1.64 0.00 0.00 178.16 176.89 3jrg n THR 70 N -5.03 0.00 -4.35 1.81 -2.24 0.05 -4.86 114.28 99.66 3jrg n THR 70 Ca -0.08 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.36 3jrg n THR 70 Cb 0.11 -0.19 -0.09 0.00 -2.10 0.00 0.00 70.33 68.06 3jrg n THR 70 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3jrg n ARG 71 N -0.31 -1.15 -0.18 -0.78 1.74 -0.86 -0.45 116.66 114.67 3jrg n ARG 71 Ca 0.00 0.14 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 3jrg n ARG 71 Cb 0.08 -4.01 0.00 0.00 -1.02 0.00 0.00 32.46 27.51 3jrg n ARG 71 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jrg n GLY 72 N -2.09 1.39 3.61 -0.13 0.00 0.68 -5.02 105.19 103.63 3jrg n GLY 72 Ca -0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 3jrg n GLY 72 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3jrg s ASN 73 N -3.08 6.26 0.16 1.61 3.84 0.40 -4.89 114.94 119.24 3jrg s ASN 73 Ca 0.00 1.09 -0.08 0.00 0.21 0.00 0.00 52.86 54.07 3jrg s ASN 73 Cb 0.00 -2.54 0.01 0.00 -0.55 0.00 0.00 41.25 38.18 3jrg s ASN 73 CO 0.00 -1.45 1.49 1.56 -2.79 0.00 0.00 177.10 175.91 3jrg h GLN 74 N 11.12 0.83 -0.62 0.43 4.20 -1.95 -2.63 115.11 126.49 3jrg h GLN 74 Ca -0.30 -0.46 -0.04 0.00 0.06 0.00 0.00 58.65 57.91 3jrg h GLN 74 Cb 1.13 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.91 3jrg h GLN 74 CO 1.06 1.09 0.22 1.15 -0.67 0.00 0.00 178.83 181.67 3jrg h THR 75 N 0.66 1.24 -0.13 -0.54 2.02 -1.95 -1.88 112.91 112.33 3jrg h THR 75 Ca 0.04 -0.79 -0.04 0.00 0.77 0.00 0.00 66.41 66.39 3jrg h THR 75 Cb 1.01 0.59 -0.00 0.00 -1.74 0.00 0.00 68.15 68.01 3jrg h THR 75 CO 0.10 0.30 -0.08 0.03 0.37 0.00 0.00 175.52 176.24 3jrg h ARG 76 N 0.88 0.28 -0.43 6.66 3.08 -1.96 -2.76 114.38 120.13 3jrg h ARG 76 Ca 0.20 -0.13 0.06 0.00 0.07 0.00 0.00 59.98 60.18 3jrg h ARG 76 Cb 0.26 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.25 3jrg h ARG 76 CO -0.01 0.64 0.13 0.00 -1.07 0.00 0.00 179.97 179.66 3jrg h ALA 77 N 0.64 0.50 -0.03 0.04 0.00 -1.34 0.21 119.26 119.29 3jrg h ALA 77 Ca 0.03 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3jrg h ALA 77 Cb 0.56 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3jrg h ALA 77 CO 0.02 -0.26 -0.23 0.00 0.00 0.00 0.00 179.25 178.78 3jrg h ALA 78 N 1.30 1.56 -0.01 0.00 0.00 -1.40 -1.48 119.26 119.23 3jrg h ALA 78 Ca 0.20 -0.23 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 3jrg h ALA 78 Cb 0.21 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3jrg h ALA 78 CO -0.23 0.32 -0.82 1.25 0.00 0.00 0.00 179.25 179.78 3jrg h LEU 79 N 0.04 0.20 -0.22 0.00 6.46 -0.93 -1.76 115.31 119.10 3jrg h LEU 79 Ca 0.01 -0.15 -0.06 0.00 -0.12 0.00 0.00 57.88 57.56 3jrg h LEU 79 Cb 0.44 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.30 3jrg h LEU 79 CO 0.03 0.93 -0.09 0.24 -0.62 0.00 0.00 178.44 178.93 3jrg h MET 80 N 0.09 0.46 0.00 1.25 2.86 -0.11 -3.23 114.93 116.25 3jrg h MET 80 Ca -0.03 -0.19 0.00 0.00 -2.06 0.00 0.00 59.70 57.42 3jrg h MET 80 Cb 1.42 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 33.06 3jrg h MET 80 CO 0.12 0.72 -0.01 -1.33 1.06 0.00 0.00 176.91 177.47 3jrg n MET 81 N -4.54 0.19 -1.67 1.72 2.81 -0.61 -4.92 117.12 110.10 3jrg n MET 81 Ca -0.04 0.15 -0.09 0.00 -1.81 0.00 0.00 57.70 55.91 3jrg n MET 81 Cb 0.32 -1.72 -0.02 0.00 -0.71 0.00 0.00 33.22 31.09 3jrg n MET 81 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3jrg n GLY 82 N 1.36 0.57 3.62 3.03 0.00 -0.79 -5.04 105.19 107.94 3jrg n GLY 82 Ca 0.06 -0.59 -0.29 0.00 0.00 0.00 0.00 46.02 45.20 3jrg n GLY 82 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3jrg s ILE 83 N -2.37 3.56 0.38 -0.61 -4.36 -0.73 -5.04 121.20 112.03 3jrg s ILE 83 Ca 0.00 -1.27 -0.27 0.00 -0.26 0.00 0.00 60.65 58.85 3jrg s ILE 83 Cb 0.00 -2.70 -0.10 0.00 1.25 0.00 0.00 42.46 40.91 3jrg s ILE 83 CO 0.00 0.05 1.36 0.21 0.24 0.00 0.00 174.94 176.80 3jrg s ASN 84 N -2.41 6.41 0.55 4.36 3.04 -1.26 -4.25 114.94 121.38 3jrg s ASN 84 Ca 0.24 2.78 0.36 0.00 0.04 0.00 0.00 52.86 56.28 3jrg s ASN 84 Cb -0.11 -2.65 1.54 0.00 -1.54 0.00 0.00 41.25 38.49 3jrg s ASN 84 CO 0.16 -0.79 1.80 -0.09 -3.04 0.00 0.00 177.10 175.14 3jrg h ARG 85 N 2.92 0.00 -0.20 0.43 2.43 -1.89 -0.69 114.38 117.37 3jrg h ARG 85 Ca -0.50 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 58.60 3jrg h ARG 85 Cb 1.24 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.79 3jrg h ARG 85 CO 0.64 0.00 -0.17 0.78 -1.51 0.00 0.00 179.97 179.70 3jrg h GLY 86 N 0.00 0.52 2.00 2.80 0.00 -1.97 -2.13 103.07 104.28 3jrg h GLY 86 Ca 0.55 -0.51 -0.13 0.00 0.00 0.00 0.00 47.33 47.24 3jrg h GLY 86 CO -0.01 0.46 -0.60 -0.91 0.00 0.00 0.00 176.54 175.49 3jrg h THR 87 N 0.16 1.32 0.55 4.70 1.35 -1.52 -1.76 112.91 117.71 3jrg h THR 87 Ca 0.04 -2.13 -0.03 0.00 -0.55 0.00 0.00 66.41 63.74 3jrg h THR 87 Cb 0.70 2.18 0.01 0.00 -1.73 0.00 0.00 68.15 69.31 3jrg h THR 87 CO 0.04 0.59 -0.27 0.25 -0.25 0.00 0.00 175.52 175.89 3jrg h LEU 88 N 0.00 -0.63 -0.83 3.87 5.85 -1.38 -0.96 115.31 121.23 3jrg h LEU 88 Ca -0.01 -0.01 0.20 0.00 0.84 0.00 0.00 57.88 58.91 3jrg h LEU 88 Cb 1.14 0.16 -0.12 0.00 0.37 0.00 0.00 40.66 42.20 3jrg h LEU 88 CO 0.08 -0.40 0.26 -0.09 -0.34 0.00 0.00 178.44 177.95 3jrg h ARG 89 N -0.81 0.29 -0.17 1.25 2.43 -1.30 0.32 114.38 116.39 3jrg h ARG 89 Ca -0.08 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.07 3jrg h ARG 89 Cb 0.60 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 3jrg h ARG 89 CO 0.12 0.19 0.08 -0.22 -1.51 0.00 0.00 179.97 178.64 3jrg h LYS 90 N 0.30 0.25 -0.50 0.20 3.64 -1.06 -1.95 116.57 117.45 3jrg h LYS 90 Ca 0.50 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.87 3jrg h LYS 90 Cb 0.93 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.66 3jrg h LYS 90 CO -0.56 0.30 0.28 0.87 -2.27 0.00 0.00 179.45 178.07 3jrg h LYS 91 N 0.14 0.53 -0.86 1.90 1.57 -0.36 -1.94 116.57 117.55 3jrg h LYS 91 Ca 0.06 -0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.86 3jrg h LYS 91 Cb 0.13 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.27 3jrg h LYS 91 CO -0.01 0.35 0.56 -0.07 -0.57 0.00 0.00 179.45 179.72 3jrg h LEU 92 N 0.55 0.87 0.66 2.94 3.38 -0.67 -1.67 115.31 121.38 3jrg h LEU 92 Ca 0.21 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 3jrg h LEU 92 Cb 0.07 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 40.64 3jrg h LEU 92 CO -0.12 0.57 -0.32 0.50 0.09 0.00 0.00 178.44 179.16 3jrg h LYS 93 N 0.99 -0.86 -1.17 1.13 3.64 -0.95 0.14 116.57 119.49 3jrg h LYS 93 Ca 0.36 0.06 0.43 0.00 -1.27 0.00 0.00 60.65 60.24 3jrg h LYS 93 Cb 0.16 0.20 -0.15 0.00 -0.41 0.00 0.00 32.23 32.03 3jrg h LYS 93 CO -0.13 -0.57 0.72 1.17 -2.27 0.00 0.00 179.45 178.37 3jrg n LYS 94 N -5.47 -0.04 -0.38 1.90 4.81 -0.67 0.17 118.16 118.48 3jrg n LYS 94 Ca -0.13 1.24 0.08 0.00 -0.87 0.00 0.00 58.31 58.62 3jrg n LYS 94 Cb 0.36 -2.35 0.24 0.00 0.02 0.00 0.00 35.03 33.30 3jrg n LYS 94 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3jrg n TYR 95 N -4.82 0.88 -3.73 5.64 4.01 -0.97 -4.98 117.16 113.19 3jrg n TYR 95 Ca 0.38 -0.67 -0.22 0.00 -0.16 0.00 0.00 57.90 57.22 3jrg n TYR 95 Cb 1.39 -0.19 0.03 0.00 -0.31 0.00 0.00 39.34 40.26 3jrg n TYR 95 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3jrg n GLY 96 N 0.23 -0.35 2.59 2.72 0.00 0.13 -4.95 105.19 105.55 3jrg n GLY 96 Ca 0.18 0.16 -0.29 0.00 0.00 0.00 0.00 46.02 46.08 3jrg n GLY 96 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3jrg n MET 97 N -4.25 2.52 0.00 1.61 2.81 0.46 -5.03 117.12 115.23 3jrg n MET 97 Ca -0.28 -4.63 0.00 0.00 -1.81 0.00 0.00 57.70 50.98 3jrg n MET 97 Cb 0.67 -2.29 0.00 0.00 -0.71 0.00 0.00 33.22 30.89 3jrg n MET 97 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75