#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r2z h LEU 6 N 0.00 0.00 -7.58 -4.53 3.38 -1.97 -3.47 115.31 101.14 2r2z h LEU 6 Ca 0.00 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 2r2z h LEU 6 Cb 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.63 2r2z h LEU 6 CO 0.00 0.01 -0.11 -0.72 0.09 0.00 0.00 178.44 177.71 2r2z s TYR 7 N -3.12 -0.07 -0.04 1.13 -0.85 -1.26 -0.70 117.35 112.43 2r2z s TYR 7 Ca 0.10 -0.27 -0.07 0.00 -0.52 0.00 0.00 57.07 56.31 2r2z s TYR 7 Cb 0.12 0.22 0.01 0.00 0.38 0.00 0.00 41.96 42.69 2r2z s TYR 7 CO 0.62 -0.74 0.17 -0.08 -1.52 0.00 0.00 175.55 174.00 2r2z s THR 8 N -3.85 0.03 0.55 -3.49 -1.32 0.01 -5.00 115.64 102.57 2r2z s THR 8 Ca 0.06 -0.24 -0.20 0.00 -1.21 0.00 0.00 61.69 60.11 2r2z s THR 8 Cb 0.02 -0.32 -0.05 0.00 -1.51 0.00 0.00 72.50 70.64 2r2z s THR 8 CO -0.08 -0.13 1.15 -1.58 -2.21 0.00 0.00 174.62 171.77 2r2z s GLN 9 N -0.42 3.29 0.00 7.08 0.74 -1.26 -0.37 119.66 128.72 2r2z s GLN 9 Ca -0.05 1.68 0.00 0.00 0.05 0.00 0.00 55.36 57.04 2r2z s GLN 9 Cb -0.03 -2.02 0.00 0.00 1.10 0.00 0.00 33.01 32.06 2r2z s GLN 9 CO 0.01 -0.92 0.00 1.33 -0.55 0.00 0.00 175.29 175.16 2r2z n VAL 10 N -1.31 0.00 -3.83 1.34 0.24 -0.16 -4.81 118.33 109.80 2r2z n VAL 10 Ca 0.12 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.37 2r2z n VAL 10 Cb 0.50 -0.52 0.01 0.00 -1.47 0.00 0.00 33.84 32.36 2r2z n VAL 10 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2r2z s ALA 11 N -1.95 -1.42 0.08 2.33 0.00 -1.01 -5.03 121.76 114.78 2r2z s ALA 11 Ca 0.00 -0.28 -0.36 0.00 0.00 0.00 0.00 51.96 51.33 2r2z s ALA 11 Cb 0.00 0.71 -0.15 0.00 0.00 0.00 0.00 23.12 23.68 2r2z s ALA 11 CO 0.00 -1.04 1.49 -0.25 0.00 0.00 0.00 175.76 175.96 2r2z n ASP 12 N -0.98 2.38 -1.24 0.00 9.92 -1.26 -1.83 116.55 123.54 2r2z n ASP 12 Ca -0.05 1.09 -0.16 0.00 -0.53 0.00 0.00 54.79 55.14 2r2z n ASP 12 Cb 0.60 -1.29 -0.07 0.00 -0.64 0.00 0.00 41.12 39.72 2r2z n ASP 12 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2r2z n ASN 13 N 3.30 -5.12 -3.76 -2.24 5.03 -1.26 -4.96 115.26 106.26 2r2z n ASN 13 Ca 0.19 0.40 -0.13 0.00 0.87 0.00 0.00 54.58 55.90 2r2z n ASN 13 Cb 0.23 -4.04 -0.14 0.00 -1.02 0.00 0.00 39.78 34.82 2r2z n ASN 13 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 2r2z s GLU 14 N -3.34 0.14 0.04 3.52 2.12 -0.76 -0.82 118.70 119.60 2r2z s GLU 14 Ca 0.00 0.36 -0.02 0.00 0.36 0.00 0.00 54.97 55.67 2r2z s GLU 14 Cb 0.00 -0.10 -0.02 0.00 0.26 0.00 0.00 34.13 34.26 2r2z s GLU 14 CO 0.00 -0.13 0.02 0.71 -0.54 0.00 0.00 175.26 175.32 2r2z s TYR 15 N 0.92 0.35 -0.14 5.30 2.02 -0.30 -0.99 117.35 124.50 2r2z s TYR 15 Ca -0.07 -0.75 -0.03 0.00 -0.37 0.00 0.00 57.07 55.85 2r2z s TYR 15 Cb -0.09 -0.25 -0.03 0.00 -0.40 0.00 0.00 41.96 41.19 2r2z s TYR 15 CO -0.05 -0.34 -0.03 -0.51 -1.57 0.00 0.00 175.55 173.05 2r2z s LEU 16 N -2.34 3.32 -0.10 -1.29 1.43 0.50 -0.56 118.68 119.65 2r2z s LEU 16 Ca -0.02 -0.07 0.03 0.00 -1.03 0.00 0.00 54.13 53.03 2r2z s LEU 16 Cb 0.01 -1.79 0.01 0.00 0.03 0.00 0.00 46.19 44.45 2r2z s LEU 16 CO -0.06 0.21 -0.18 -0.69 0.23 0.00 0.00 176.35 175.86 2r2z s VAL 17 N 0.13 1.64 0.30 -1.59 1.01 0.29 -0.81 120.40 121.37 2r2z s VAL 17 Ca -0.00 -0.75 -0.29 0.00 0.00 0.00 0.00 61.98 60.93 2r2z s VAL 17 Cb -0.13 -1.46 -0.10 0.00 0.00 0.00 0.00 36.38 34.68 2r2z s VAL 17 CO 0.03 0.47 1.40 -1.10 0.00 0.00 0.00 175.10 175.89 2r2z s GLN 18 N 0.67 4.27 0.46 2.72 -0.21 0.12 -0.23 119.66 127.47 2r2z s GLN 18 Ca -0.13 2.32 0.20 0.00 0.02 0.00 0.00 55.36 57.77 2r2z s GLN 18 Cb -0.16 -3.07 1.19 0.00 1.00 0.00 0.00 33.01 31.96 2r2z s GLN 18 CO 0.03 -0.35 1.92 0.78 -2.12 0.00 0.00 175.29 175.55 2r2z h GLY 19 N 4.09 0.49 -7.31 3.09 0.00 -1.22 -3.44 103.07 98.77 2r2z h GLY 19 Ca -0.48 -0.12 -0.44 0.00 0.00 0.00 0.00 47.33 46.30 2r2z h GLY 19 CO 0.71 0.03 1.09 1.09 0.00 0.00 0.00 176.54 179.46 2r2z s ARG 20 N -5.27 2.81 0.03 4.80 1.70 -1.26 -1.13 118.95 120.63 2r2z s ARG 20 Ca -0.07 -0.12 0.09 0.00 -0.47 0.00 0.00 55.73 55.16 2r2z s ARG 20 Cb 0.21 -4.78 -0.03 0.00 -0.57 0.00 0.00 34.95 29.78 2r2z s ARG 20 CO 0.76 -2.85 -0.25 -0.51 -1.08 0.00 0.00 175.30 171.37 2r2z s LEU 22 N 8.48 2.15 0.22 -1.89 1.43 -1.26 -4.89 118.68 122.93 2r2z s LEU 22 Ca 0.61 -0.56 -0.08 0.00 -1.03 0.00 0.00 54.13 53.08 2r2z s LEU 22 Cb -0.08 -1.23 0.34 0.00 0.03 0.00 0.00 46.19 45.25 2r2z s LEU 22 CO 0.07 0.25 1.74 0.40 0.23 0.00 0.00 176.35 179.04 2r2z h ILE 23 N 4.29 0.73 -0.68 -0.59 2.04 -1.23 0.13 117.51 122.20 2r2z h ILE 23 Ca -0.45 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.24 2r2z h ILE 23 Cb 1.14 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 2r2z h ILE 23 CO 0.44 0.08 0.34 0.44 0.00 0.00 0.00 178.15 179.45 2r2z h ASP 24 N 0.43 0.87 -0.33 1.72 3.32 -1.91 -0.80 116.42 119.71 2r2z h ASP 24 Ca 0.35 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.28 2r2z h ASP 24 Cb 0.46 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 2r2z h ASP 24 CO -0.34 0.73 0.09 -0.33 -1.72 0.00 0.00 179.24 177.66 2r2z h GLU 25 N 0.96 0.52 -0.37 3.56 5.08 -1.69 -2.01 114.58 120.64 2r2z h GLU 25 Ca 0.24 -0.12 0.05 0.00 -1.00 0.00 0.00 59.36 58.52 2r2z h GLU 25 Cb 0.08 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 2r2z h GLU 25 CO -0.03 0.57 0.12 0.35 -1.00 0.00 0.00 179.01 179.02 2r2z h PHE 26 N 0.38 0.20 -0.76 4.33 3.57 -0.56 -0.70 116.94 123.41 2r2z h PHE 26 Ca 0.10 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 2r2z h PHE 26 Cb 0.28 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.95 2r2z h PHE 26 CO 0.01 0.08 0.35 -0.91 -2.23 0.00 0.00 178.31 175.61 2r2z h ASN 27 N 0.26 0.99 -0.21 0.41 2.35 -1.04 -0.27 115.58 118.07 2r2z h ASN 27 Ca 0.17 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 2r2z h ASN 27 Cb 0.16 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 2r2z h ASN 27 CO -0.18 0.84 0.06 -0.08 -1.65 0.00 0.00 177.43 176.41 2r2z h GLU 28 N 1.08 0.33 -0.32 0.81 4.81 -0.92 0.57 114.58 120.94 2r2z h GLU 28 Ca 0.26 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.36 2r2z h GLU 28 Cb 0.12 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2r2z h GLU 28 CO -0.03 0.45 0.00 0.28 -0.73 0.00 0.00 179.01 178.98 2r2z h VAL 29 N 0.16 1.26 -0.03 0.32 2.07 -0.89 -3.32 116.25 115.82 2r2z h VAL 29 Ca 0.07 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.64 2r2z h VAL 29 Cb 0.26 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 2r2z h VAL 29 CO -0.00 0.31 -0.05 0.49 0.02 0.00 0.00 177.57 178.34 2r2z n PHE 30 N -4.55 0.00 -3.57 1.57 3.72 -0.13 -4.98 117.46 109.51 2r2z n PHE 30 Ca -0.02 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.17 2r2z n PHE 30 Cb 0.26 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.87 2r2z n PHE 30 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2r2z n GLU 31 N 1.07 -6.36 -4.08 -1.08 4.71 0.17 -5.02 120.64 110.06 2r2z n GLU 31 Ca 0.12 0.77 -0.25 0.00 -0.01 0.00 0.00 57.16 57.78 2r2z n GLU 31 Cb 0.53 -5.67 -0.05 0.00 -1.01 0.00 0.00 31.44 25.24 2r2z n GLU 31 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 2r2z s THR 32 N -3.43 2.07 -0.40 2.62 -4.23 -1.09 -5.06 115.64 106.12 2r2z s THR 32 Ca 0.17 -1.64 0.11 0.00 -1.18 0.00 0.00 61.69 59.15 2r2z s THR 32 Cb -0.08 -2.71 0.41 0.00 1.34 0.00 0.00 72.50 71.46 2r2z s THR 32 CO 0.76 0.00 0.94 0.47 -0.54 0.00 0.00 174.62 176.25 2r2z n ASP 33 N -1.40 2.63 -4.76 3.99 8.00 -1.26 -4.69 116.55 119.07 2r2z n ASP 33 Ca -0.03 -3.19 -0.40 0.00 0.71 0.00 0.00 54.79 51.88 2r2z n ASP 33 Cb 0.64 -0.54 -0.04 0.00 -0.02 0.00 0.00 41.12 41.16 2r2z n ASP 33 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2r2z s LEU 34 N -3.13 4.56 0.27 0.64 1.43 -1.26 -5.15 118.68 116.03 2r2z s LEU 34 Ca 0.39 2.22 -0.07 0.00 -1.03 0.00 0.00 54.13 55.64 2r2z s LEU 34 Cb 0.39 -3.62 -0.01 0.00 0.03 0.00 0.00 46.19 42.98 2r2z s LEU 34 CO -0.07 -0.12 0.40 -1.00 0.23 0.00 0.00 176.35 175.78 2r2z s HIS 35 N -1.06 0.78 0.04 0.29 3.76 -1.26 -4.92 115.29 112.93 2r2z s HIS 35 Ca 0.45 -1.06 0.08 0.00 -0.15 0.00 0.00 55.06 54.37 2r2z s HIS 35 Cb -0.31 -0.08 -0.03 0.00 1.11 0.00 0.00 32.58 33.27 2r2z s HIS 35 CO 0.39 -0.96 -0.21 0.45 -0.85 0.00 0.00 174.74 173.56 2r2z s SER 37 N -3.12 3.55 -0.97 1.40 0.15 -1.26 -5.16 113.70 108.29 2r2z s SER 37 Ca 0.29 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.45 2r2z s SER 37 Cb 0.01 -0.49 0.00 0.00 -1.71 0.00 0.00 66.02 63.83 2r2z s SER 37 CO 0.13 0.26 0.00 0.47 1.20 0.00 0.00 173.24 175.30 2r2z n ASP 38 N 1.67 -5.04 -3.88 5.45 8.00 -1.26 -4.96 116.55 116.53 2r2z n ASP 38 Ca -0.16 0.23 -0.18 0.00 0.71 0.00 0.00 54.79 55.38 2r2z n ASP 38 Cb 0.52 -3.34 -0.16 0.00 -0.02 0.00 0.00 41.12 38.13 2r2z n ASP 38 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2r2z s VAL 39 N -2.02 0.38 -0.03 2.53 1.01 -1.26 -5.06 120.40 115.95 2r2z s VAL 39 Ca 0.00 -0.08 0.07 0.00 0.00 0.00 0.00 61.98 61.97 2r2z s VAL 39 Cb 0.00 -0.41 -0.11 0.00 0.00 0.00 0.00 36.38 35.86 2r2z s VAL 39 CO 0.00 0.17 0.12 0.47 0.00 0.00 0.00 175.10 175.86 2r2z n ASP 40 N 3.80 3.30 0.00 3.32 8.00 -1.26 -4.94 116.55 128.77 2r2z n ASP 40 Ca -0.23 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.27 2r2z n ASP 40 Cb 0.52 1.12 0.00 0.00 -0.02 0.00 0.00 41.12 42.75 2r2z n ASP 40 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2r2z n THR 41 N -1.92 0.00 0.00 -3.53 -2.24 -1.26 -0.79 114.28 104.54 2r2z n THR 41 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 2r2z n THR 41 Cb 0.36 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 2r2z n THR 41 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2r2z n ALA 43 N -3.00 0.00 -0.30 6.98 0.00 -0.28 -0.83 120.51 123.08 2r2z n ALA 43 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 2r2z n ALA 43 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.52 2r2z n ALA 43 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2r2z h GLY 44 N 0.00 1.29 0.82 0.00 0.00 -1.94 -1.84 103.07 101.41 2r2z h GLY 44 Ca 0.00 -0.70 -0.00 0.00 0.00 0.00 0.00 47.33 46.63 2r2z h GLY 44 CO 0.00 0.66 -0.22 -1.82 0.00 0.00 0.00 176.54 175.16 2r2z h TYR 45 N 1.17 -0.58 -0.33 5.60 3.20 -1.36 -1.37 116.97 123.30 2r2z h TYR 45 Ca 0.27 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 62.02 2r2z h TYR 45 Cb 0.20 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 2r2z h TYR 45 CO 0.02 -0.33 -0.28 1.25 -1.64 0.00 0.00 178.16 177.18 2r2z h LEU 46 N -0.51 0.81 -0.92 2.82 5.85 -1.81 -0.63 115.31 120.93 2r2z h LEU 46 Ca -0.02 -0.45 -0.06 0.00 0.84 0.00 0.00 57.88 58.19 2r2z h LEU 46 Cb 0.45 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 2r2z h LEU 46 CO -0.01 1.10 0.13 0.40 -0.34 0.00 0.00 178.44 179.72 2r2z h ILE 47 N 0.54 1.24 -0.30 4.05 2.04 -1.34 0.28 117.51 124.02 2r2z h ILE 47 Ca 0.06 -0.89 -0.03 0.00 1.00 0.00 0.00 64.86 65.00 2r2z h ILE 47 Cb 0.85 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 2r2z h ILE 47 CO 0.07 0.33 0.09 0.74 0.00 0.00 0.00 178.15 179.38 2r2z h THR 48 N 0.88 1.21 -0.67 -0.27 2.02 -1.09 -1.65 112.91 113.34 2r2z h THR 48 Ca 0.19 -0.68 -0.07 0.00 0.77 0.00 0.00 66.41 66.61 2r2z h THR 48 Cb 0.34 1.08 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 2r2z h THR 48 CO 0.00 0.23 0.12 0.00 0.37 0.00 0.00 175.52 176.24 2r2z h ALA 49 N 0.92 0.95 -0.41 6.16 0.00 -0.75 -2.71 119.26 123.43 2r2z h ALA 49 Ca 0.10 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 2r2z h ALA 49 Cb 0.26 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2r2z h ALA 49 CO -0.00 0.66 -0.14 -0.07 0.00 0.00 0.00 179.25 179.70 2r2z h LEU 50 N 1.03 0.74 0.00 0.00 3.38 -0.89 -3.47 115.31 116.09 2r2z h LEU 50 Ca 0.21 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2r2z h LEU 50 Cb 0.41 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2r2z h LEU 50 CO 0.01 0.89 0.00 0.61 0.09 0.00 0.00 178.44 180.04 2r2z n GLY 51 N -0.41 1.59 3.19 0.83 0.00 -0.63 -4.99 105.19 104.77 2r2z n GLY 51 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 2r2z n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2r2z s THR 52 N -3.07 0.02 -0.19 2.61 2.01 -1.25 -5.04 115.64 110.72 2r2z s THR 52 Ca 0.00 -0.16 -0.28 0.00 0.31 0.00 0.00 61.69 61.57 2r2z s THR 52 Cb 0.00 -0.46 -0.00 0.00 0.01 0.00 0.00 72.50 72.04 2r2z s THR 52 CO 0.00 -0.09 0.96 -0.63 -0.69 0.00 0.00 174.62 174.17 2r2z s ILE 53 N -0.29 4.77 0.51 1.82 1.01 -1.26 -4.93 121.20 122.82 2r2z s ILE 53 Ca -0.04 1.88 -0.22 0.00 0.00 0.00 0.00 60.65 62.27 2r2z s ILE 53 Cb -0.03 -4.25 -0.06 0.00 0.01 0.00 0.00 42.46 38.13 2r2z s ILE 53 CO 0.01 -0.08 1.25 -2.84 0.00 0.00 0.00 174.94 173.28 2r2z s PRO 54 N 2.69 3.42 0.62 2.79 0.02 -1.26 -5.02 135.00 138.26 2r2z s PRO 54 Ca 0.42 1.97 -0.19 0.00 0.02 0.00 0.00 61.00 63.22 2r2z s PRO 54 Cb -0.16 -2.29 -0.02 0.00 0.02 0.00 0.00 34.50 32.04 2r2z s PRO 54 CO 0.10 -0.88 1.26 0.34 -0.33 0.00 0.00 177.00 177.49 2r2z s ASP 55 N -1.22 4.89 0.20 2.53 2.15 -1.26 -4.92 116.67 119.04 2r2z s ASP 55 Ca 0.68 2.54 -0.33 0.00 0.43 0.00 0.00 52.55 55.88 2r2z s ASP 55 Cb -0.34 -2.61 -0.13 0.00 -0.30 0.00 0.00 42.92 39.54 2r2z s ASP 55 CO 0.40 -1.81 1.54 -0.62 -0.17 0.00 0.00 175.17 174.51 2r2z n GLU 56 N -1.71 2.19 0.00 4.34 1.02 -1.26 -1.13 120.64 124.09 2r2z n GLU 56 Ca 0.15 0.78 0.00 0.00 -0.02 0.00 0.00 57.16 58.07 2r2z n GLU 56 Cb 0.48 -2.53 0.00 0.00 -0.02 0.00 0.00 31.44 29.38 2r2z n GLU 56 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2r2z n GLY 57 N 2.99 1.61 3.77 0.62 0.00 -1.26 -5.04 105.19 107.88 2r2z n GLY 57 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 2r2z n GLY 57 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2r2z s GLU 58 N -0.58 4.14 -0.53 1.61 2.12 -0.29 -5.03 118.70 120.14 2r2z s GLU 58 Ca 0.00 0.32 0.07 0.00 0.36 0.00 0.00 54.97 55.73 2r2z s GLU 58 Cb 0.00 -3.35 0.29 0.00 0.26 0.00 0.00 34.13 31.33 2r2z s GLU 58 CO 0.00 0.39 0.76 1.63 -0.54 0.00 0.00 175.26 177.50 2r2z n LYS 59 N 2.92 2.12 -1.36 4.30 5.02 -1.26 -4.68 118.16 125.21 2r2z n LYS 59 Ca -0.11 -4.23 -0.30 0.00 -2.02 0.00 0.00 58.31 51.65 2r2z n LYS 59 Cb 0.52 -1.95 0.10 0.00 -0.02 0.00 0.00 35.03 33.68 2r2z n LYS 59 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2r2z s PRO 60 N -2.50 1.90 0.16 1.97 0.04 -1.26 -4.63 135.00 130.67 2r2z s PRO 60 Ca 0.42 0.85 0.07 0.00 0.04 0.00 0.00 61.00 62.37 2r2z s PRO 60 Cb 0.22 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.84 2r2z s PRO 60 CO -0.08 -1.80 -0.15 -1.12 0.04 0.00 0.00 177.00 173.89 2r2z s SER 61 N -3.61 2.33 -0.06 6.66 0.01 -1.26 -1.46 113.70 116.32 2r2z s SER 61 Ca 0.62 -0.89 0.01 0.00 1.31 0.00 0.00 55.95 57.00 2r2z s SER 61 Cb -0.16 -0.11 0.02 0.00 0.21 0.00 0.00 66.02 65.98 2r2z s SER 61 CO 0.56 -0.13 -0.08 0.12 0.41 0.00 0.00 173.24 174.12 2r2z s PHE 62 N -2.37 1.10 -0.11 2.43 5.36 0.39 -4.98 117.98 119.81 2r2z s PHE 62 Ca 0.15 -0.38 -0.04 0.00 -0.96 0.00 0.00 56.93 55.69 2r2z s PHE 62 Cb -0.04 -0.88 -0.04 0.00 -0.34 0.00 0.00 43.02 41.73 2r2z s PHE 62 CO 0.05 -0.25 0.06 -1.21 -1.46 0.00 0.00 175.22 172.42 2r2z s GLU 63 N 0.85 3.24 -0.20 10.12 2.02 -1.26 -0.57 118.70 132.89 2r2z s GLU 63 Ca -0.12 -0.29 -0.08 0.00 0.02 0.00 0.00 54.97 54.51 2r2z s GLU 63 Cb -0.15 -2.99 0.08 0.00 0.10 0.00 0.00 34.13 31.18 2r2z s GLU 63 CO 0.01 0.71 0.44 0.54 0.02 0.00 0.00 175.26 176.99 2r2z s VAL 64 N -0.87 -0.46 0.00 2.63 0.11 -0.40 -5.02 120.40 116.39 2r2z s VAL 64 Ca 0.13 0.13 0.00 0.00 -2.93 0.00 0.00 61.98 59.31 2r2z s VAL 64 Cb -0.12 -0.69 0.00 0.00 -1.53 0.00 0.00 36.38 34.05 2r2z s VAL 64 CO 0.03 0.05 0.00 0.61 -3.33 0.00 0.00 175.10 172.46 2r2z n GLY 65 N 5.03 3.54 1.90 6.54 0.00 -1.26 -1.32 105.19 119.61 2r2z n GLY 65 Ca -0.13 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.71 2r2z n GLY 65 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2r2z n ASN 66 N 4.78 4.06 -4.05 1.61 4.13 -1.26 -4.92 115.26 119.60 2r2z n ASN 66 Ca 0.00 -3.15 -0.12 0.00 1.68 0.00 0.00 54.58 53.00 2r2z n ASN 66 Cb 0.00 -0.74 -0.11 0.00 -1.54 0.00 0.00 39.78 37.39 2r2z n ASN 66 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 2r2z s ILE 67 N -2.64 0.44 -0.12 2.41 -4.36 -0.43 -0.92 121.20 115.58 2r2z s ILE 67 Ca 0.47 -1.10 0.03 0.00 -0.26 0.00 0.00 60.65 59.78 2r2z s ILE 67 Cb 0.38 -0.60 0.01 0.00 1.25 0.00 0.00 42.46 43.50 2r2z s ILE 67 CO 0.10 -0.45 -0.21 -0.75 0.24 0.00 0.00 174.94 173.88 2r2z s LYS 68 N -1.72 2.81 -0.17 0.37 2.20 -0.10 -1.27 119.74 121.87 2r2z s LYS 68 Ca -0.10 -0.78 -0.04 0.00 -0.36 0.00 0.00 55.97 54.69 2r2z s LYS 68 Cb -0.09 -2.26 -0.02 0.00 -1.51 0.00 0.00 37.83 33.95 2r2z s LYS 68 CO -0.00 0.02 -0.04 -0.51 -0.36 0.00 0.00 175.35 174.46 2r2z s LEU 69 N 0.74 3.15 -0.01 5.43 1.43 0.26 -1.06 118.68 128.63 2r2z s LEU 69 Ca -0.10 -0.20 0.08 0.00 -1.03 0.00 0.00 54.13 52.88 2r2z s LEU 69 Cb -0.16 -1.77 -0.02 0.00 0.03 0.00 0.00 46.19 44.27 2r2z s LEU 69 CO 0.01 0.12 -0.24 -0.89 0.23 0.00 0.00 176.35 175.57 2r2z s THR 70 N 0.66 1.93 -0.74 5.49 2.01 0.37 -0.46 115.64 124.90 2r2z s THR 70 Ca -0.02 -1.08 -0.27 0.00 0.31 0.00 0.00 61.69 60.63 2r2z s THR 70 Cb -0.14 -1.61 0.03 0.00 0.01 0.00 0.00 72.50 70.78 2r2z s THR 70 CO 0.02 0.51 1.34 0.00 -0.69 0.00 0.00 174.62 175.81 2r2z s ALA 71 N -0.61 2.69 -0.02 7.40 0.00 -0.53 -0.84 121.76 129.85 2r2z s ALA 71 Ca 0.10 -1.34 -0.11 0.00 0.00 0.00 0.00 51.96 50.61 2r2z s ALA 71 Cb -0.09 -4.28 -0.31 0.00 0.00 0.00 0.00 23.12 18.44 2r2z s ALA 71 CO -0.00 -3.37 0.77 1.49 0.00 0.00 0.00 175.76 174.65 2r2z h GLU 72 N 10.48 0.40 -4.49 0.00 4.57 -1.51 -3.38 114.58 120.65 2r2z h GLU 72 Ca -0.26 -0.69 -0.34 0.00 -1.18 0.00 0.00 59.36 56.89 2r2z h GLU 72 Cb 1.06 0.26 -0.11 0.00 -0.16 0.00 0.00 28.75 29.80 2r2z h GLU 72 CO 1.28 1.31 -0.37 -2.00 -1.18 0.00 0.00 179.01 178.06 2r2z s GLU 73 N -2.59 1.74 -0.30 1.92 2.12 -0.80 -4.94 118.70 115.85 2r2z s GLU 73 Ca -0.13 -1.83 -0.02 0.00 0.36 0.00 0.00 54.97 53.35 2r2z s GLU 73 Cb 0.05 0.37 0.19 0.00 0.26 0.00 0.00 34.13 35.01 2r2z s GLU 73 CO 0.87 -0.68 0.81 -2.00 -0.54 0.00 0.00 175.26 173.72 2r2z s GLU 75 N -3.39 0.38 7.34 4.30 2.12 0.48 -0.75 118.70 129.18 2r2z s GLU 75 Ca 0.36 0.30 0.00 0.00 0.36 0.00 0.00 54.97 55.98 2r2z s GLU 75 Cb 0.02 0.15 0.00 0.00 0.26 0.00 0.00 34.13 34.56 2r2z s GLU 75 CO 0.22 -0.69 0.00 0.41 -0.54 0.00 0.00 175.26 174.66 2r2z n GLY 76 N 5.14 3.51 0.56 -1.50 0.00 -1.26 -1.54 105.19 110.10 2r2z n GLY 76 Ca 0.07 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.10 2r2z n GLY 76 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2r2z n THR 77 N 0.00 0.14 -2.92 2.61 -2.24 -1.26 -4.68 114.28 105.93 2r2z n THR 77 Ca 0.00 -0.33 -0.41 0.00 -2.27 0.00 0.00 64.05 61.04 2r2z n THR 77 Cb 0.00 0.47 -0.04 0.00 -2.10 0.00 0.00 70.33 68.65 2r2z n THR 77 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2r2z s ARG 78 N -1.86 4.46 -0.61 -0.78 3.52 -0.59 -4.99 118.95 118.10 2r2z s ARG 78 Ca 0.34 1.06 -0.26 0.00 -0.13 0.00 0.00 55.73 56.74 2r2z s ARG 78 Cb 0.19 -3.47 0.04 0.00 -1.56 0.00 0.00 34.95 30.15 2r2z s ARG 78 CO 0.29 -0.02 1.12 -1.17 -0.81 0.00 0.00 175.30 174.71 2r2z s LEU 79 N 1.04 3.64 -0.08 -0.88 2.96 -1.26 -0.39 118.68 123.71 2r2z s LEU 79 Ca 0.42 -0.20 -0.19 0.00 -0.22 0.00 0.00 54.13 53.94 2r2z s LEU 79 Cb -0.19 -2.91 -0.29 0.00 0.50 0.00 0.00 46.19 43.31 2r2z s LEU 79 CO 0.20 -1.48 0.71 0.25 -1.32 0.00 0.00 176.35 174.72 2r2z h LEU 80 N 11.84 0.40 -7.69 -0.68 5.85 -1.31 -3.38 115.31 120.33 2r2z h LEU 80 Ca -0.26 -0.89 -0.31 0.00 0.84 0.00 0.00 57.88 57.25 2r2z h LEU 80 Cb 1.06 -0.13 -0.31 0.00 0.37 0.00 0.00 40.66 41.65 2r2z h LEU 80 CO 1.18 1.49 -0.74 -0.69 -0.34 0.00 0.00 178.44 179.33 2r2z s VAL 81 N -2.44 0.17 0.01 1.05 1.01 -0.98 -0.95 120.40 118.27 2r2z s VAL 81 Ca -0.17 0.01 -0.00 0.00 0.00 0.00 0.00 61.98 61.82 2r2z s VAL 81 Cb 0.03 -0.22 -0.04 0.00 0.00 0.00 0.00 36.38 36.15 2r2z s VAL 81 CO 0.79 0.10 0.09 -0.76 0.00 0.00 0.00 175.10 175.33 2r2z s LEU 82 N 0.55 3.95 -0.14 3.92 1.02 0.68 -1.29 118.68 127.37 2r2z s LEU 82 Ca -0.05 0.15 -0.08 0.00 0.02 0.00 0.00 54.13 54.17 2r2z s LEU 82 Cb -0.08 -2.36 -0.04 0.00 0.02 0.00 0.00 46.19 43.73 2r2z s LEU 82 CO -0.01 0.25 0.14 -0.60 0.02 0.00 0.00 176.35 176.15 2r2z s ARG 83 N -1.87 3.62 -0.11 1.70 3.52 -0.02 -0.54 118.95 125.24 2r2z s ARG 83 Ca 0.25 -0.15 0.02 0.00 -0.13 0.00 0.00 55.73 55.71 2r2z s ARG 83 Cb -0.12 -3.24 0.01 0.00 -1.56 0.00 0.00 34.95 30.04 2r2z s ARG 83 CO 0.16 0.67 -0.16 0.08 -0.81 0.00 0.00 175.30 175.24 2r2z s VAL 84 N -0.70 1.54 -0.13 7.11 1.01 0.28 -0.48 120.40 129.03 2r2z s VAL 84 Ca 0.13 -0.66 -0.03 0.00 0.00 0.00 0.00 61.98 61.42 2r2z s VAL 84 Cb -0.12 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 2r2z s VAL 84 CO 0.03 0.45 -0.02 -1.00 0.00 0.00 0.00 175.10 174.55 2r2z s HIS 85 N 1.02 3.07 -0.15 5.22 3.76 -0.22 -1.15 115.29 126.84 2r2z s HIS 85 Ca -0.06 -0.11 -0.05 0.00 -0.15 0.00 0.00 55.06 54.70 2r2z s HIS 85 Cb -0.15 -1.90 -0.03 0.00 1.11 0.00 0.00 32.58 31.61 2r2z s HIS 85 CO -0.02 0.15 0.02 -0.06 -0.85 0.00 0.00 174.74 173.97 2r2z s PHE 86 N -0.07 3.17 0.40 1.40 0.08 0.00 -0.92 117.98 122.05 2r2z s PHE 86 Ca 0.03 0.01 0.08 0.00 0.12 0.00 0.00 56.93 57.16 2r2z s PHE 86 Cb -0.13 -1.97 -0.05 0.00 -0.57 0.00 0.00 43.02 40.30 2r2z s PHE 86 CO 0.02 0.19 0.16 0.71 -0.10 0.00 0.00 175.22 176.21 2r2z s TYR 87 N 0.01 2.61 -2.96 0.36 2.02 -0.10 -4.85 117.35 114.45 2r2z s TYR 87 Ca 0.04 -0.56 0.24 0.00 -0.37 0.00 0.00 57.07 56.42 2r2z s TYR 87 Cb -0.13 -1.89 0.27 0.00 -0.40 0.00 0.00 41.96 39.81 2r2z s TYR 87 CO 0.02 0.23 1.30 -0.25 -1.57 0.00 0.00 175.55 175.28