#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o6x s ARG 2 N 0.00 0.58 0.30 0.03 3.52 -1.26 -5.19 118.95 116.93 1o6x s ARG 2 Ca 0.00 -0.38 -0.03 0.00 -0.13 0.00 0.00 55.73 55.19 1o6x s ARG 2 Cb 0.00 0.16 0.01 0.00 -1.56 0.00 0.00 34.95 33.57 1o6x s ARG 2 CO 0.00 -0.27 0.45 -1.13 -0.81 0.00 0.00 175.30 173.53 1o6x n SER 3 N -1.11 -1.25 -4.00 -2.12 3.41 -1.26 -5.18 113.62 102.10 1o6x n SER 3 Ca 0.02 -2.52 -0.09 0.00 -0.26 0.00 0.00 58.87 56.02 1o6x n SER 3 Cb 0.59 2.28 -0.11 0.00 -0.26 0.00 0.00 64.21 66.71 1o6x n SER 3 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1o6x s LEU 4 N 0.00 2.26 0.14 1.04 1.43 -1.26 -5.16 118.68 117.13 1o6x s LEU 4 Ca 0.22 -0.61 0.10 0.00 -1.03 0.00 0.00 54.13 52.81 1o6x s LEU 4 Cb -0.01 0.16 -0.04 0.00 0.03 0.00 0.00 46.19 46.33 1o6x s LEU 4 CO 0.16 -0.38 -0.18 -0.70 0.23 0.00 0.00 176.35 175.47 1o6x s GLU 5 N -2.09 1.75 0.42 1.70 2.56 -1.26 -5.14 118.70 116.64 1o6x s GLU 5 Ca -0.10 -1.28 0.04 0.00 0.00 0.00 0.00 54.97 53.63 1o6x s GLU 5 Cb -0.05 -2.05 0.00 0.00 2.00 0.00 0.00 34.13 34.02 1o6x s GLU 5 CO -0.03 0.45 0.60 0.99 -0.56 0.00 0.00 175.26 176.71 1o6x s THR 6 N -1.34 3.76 -0.23 -1.70 2.01 -1.26 -5.12 115.64 111.77 1o6x s THR 6 Ca 0.19 -0.75 -0.32 0.00 0.31 0.00 0.00 61.69 61.12 1o6x s THR 6 Cb -0.10 -3.35 0.16 0.00 0.01 0.00 0.00 72.50 69.23 1o6x s THR 6 CO 0.11 -0.19 1.25 0.72 -0.69 0.00 0.00 174.62 175.81 1o6x s PHE 7 N -2.42 -0.12 0.32 4.92 -0.12 -1.26 -5.19 117.98 114.11 1o6x s PHE 7 Ca 0.49 0.16 0.03 0.00 -0.05 0.00 0.00 56.93 57.56 1o6x s PHE 7 Cb -0.10 0.49 -0.05 0.00 -0.63 0.00 0.00 43.02 42.74 1o6x s PHE 7 CO 0.35 -0.14 0.10 0.08 -0.05 0.00 0.00 175.22 175.56 1o6x s VAL 8 N -1.55 0.73 -0.35 -2.49 1.01 -1.26 -5.13 120.40 111.36 1o6x s VAL 8 Ca 0.07 -2.00 0.02 0.00 0.00 0.00 0.00 61.98 60.08 1o6x s VAL 8 Cb -0.01 -2.61 0.15 0.00 0.00 0.00 0.00 36.38 33.91 1o6x s VAL 8 CO -0.05 0.00 0.36 -0.83 0.00 0.00 0.00 175.10 174.59 1o6x s GLY 9 N -3.43 -0.11 0.38 4.51 0.00 -1.26 -5.14 107.32 102.27 1o6x s GLY 9 Ca 0.34 -0.72 -0.01 0.00 0.00 0.00 0.00 44.72 44.33 1o6x s GLY 9 CO 0.15 2.75 0.61 0.51 0.00 0.00 0.00 173.10 177.12 1o6x s ASP 10 N 1.74 6.29 -0.14 1.64 1.47 -1.26 -1.93 116.67 124.48 1o6x s ASP 10 Ca 0.15 0.59 -0.06 0.00 1.18 0.00 0.00 52.55 54.41 1o6x s ASP 10 Cb -0.15 -2.10 0.06 0.00 -0.34 0.00 0.00 42.92 40.40 1o6x s ASP 10 CO -0.12 -0.37 0.31 -1.58 0.68 0.00 0.00 175.17 174.09 1o6x s GLN 11 N -4.39 0.24 0.73 2.11 0.74 0.26 -4.75 119.66 114.60 1o6x s GLN 11 Ca 0.42 0.71 -0.04 0.00 0.05 0.00 0.00 55.36 56.50 1o6x s GLN 11 Cb -0.10 -0.02 0.11 0.00 1.10 0.00 0.00 33.01 34.10 1o6x s GLN 11 CO 0.38 -0.21 1.01 0.08 -0.55 0.00 0.00 175.29 176.01 1o6x s VAL 12 N 1.81 2.22 -0.11 1.34 1.01 -1.12 -1.84 120.40 123.71 1o6x s VAL 12 Ca -0.05 -0.45 -0.28 0.00 0.00 0.00 0.00 61.98 61.20 1o6x s VAL 12 Cb -0.11 -2.77 0.07 0.00 0.00 0.00 0.00 36.38 33.57 1o6x s VAL 12 CO -0.10 0.00 0.65 -1.48 0.00 0.00 0.00 175.10 174.17 1o6x s LEU 13 N -5.22 -0.52 -0.26 3.92 0.05 -1.22 -3.82 118.68 111.60 1o6x s LEU 13 Ca 0.65 0.86 -0.12 0.00 0.05 0.00 0.00 54.13 55.56 1o6x s LEU 13 Cb -0.07 2.38 -0.05 0.00 -2.05 0.00 0.00 46.19 46.40 1o6x s LEU 13 CO 0.45 -0.49 0.25 -1.83 -0.55 0.00 0.00 176.35 174.18 1o6x s GLU 14 N -0.75 4.02 0.05 1.48 -1.05 0.31 -3.61 118.70 119.16 1o6x s GLU 14 Ca -0.08 -0.16 0.05 0.00 -0.15 0.00 0.00 54.97 54.63 1o6x s GLU 14 Cb -0.02 -3.61 -0.04 0.00 -0.44 0.00 0.00 34.13 30.02 1o6x s GLU 14 CO 0.07 -0.12 -0.06 0.42 0.95 0.00 0.00 175.26 176.52 1o6x s ILE 15 N 1.59 3.67 -0.41 1.83 1.01 -0.44 0.80 121.20 129.25 1o6x s ILE 15 Ca 0.10 -0.97 0.01 0.00 0.00 0.00 0.00 60.65 59.80 1o6x s ILE 15 Cb -0.15 -2.67 0.13 0.00 0.01 0.00 0.00 42.46 39.78 1o6x s ILE 15 CO 0.09 0.24 0.22 -0.69 0.00 0.00 0.00 174.94 174.80 1o6x s VAL 16 N -1.14 1.09 1.01 2.92 1.01 0.36 -1.28 120.40 124.36 1o6x s VAL 16 Ca 0.20 -2.26 -0.15 0.00 0.00 0.00 0.00 61.98 59.77 1o6x s VAL 16 Cb -0.11 -1.77 0.20 0.00 0.00 0.00 0.00 36.38 34.69 1o6x s VAL 16 CO 0.12 -0.89 1.18 -2.16 0.00 0.00 0.00 175.10 173.35 1o6x s PRO 17 N 0.63 0.34 0.00 2.72 0.04 -1.26 -4.29 135.00 133.18 1o6x s PRO 17 Ca 0.17 -0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.20 1o6x s PRO 17 Cb -0.24 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1o6x s PRO 17 CO -0.02 -2.68 0.00 0.43 0.04 0.00 0.00 177.00 174.77 1o6x n SER 18 N -4.04 0.03 -0.50 6.66 7.64 -1.26 -3.55 113.62 118.60 1o6x n SER 18 Ca 0.11 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.99 1o6x n SER 18 Cb 0.59 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 1o6x n SER 18 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1o6x n ASN 19 N -2.11 0.84 -0.02 6.43 4.13 -1.26 -4.68 115.26 118.58 1o6x n ASN 19 Ca 0.00 -0.25 0.08 0.00 1.68 0.00 0.00 54.58 56.09 1o6x n ASN 19 Cb 0.01 0.00 -0.17 0.00 -1.54 0.00 0.00 39.78 38.08 1o6x n ASN 19 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1o6x n GLU 20 N -0.14 0.66 0.35 3.52 4.71 -1.26 -4.04 120.64 124.44 1o6x n GLU 20 Ca 0.00 -0.17 -0.17 0.00 -0.01 0.00 0.00 57.16 56.81 1o6x n GLU 20 Cb 0.00 -1.52 -0.09 0.00 -1.01 0.00 0.00 31.44 28.82 1o6x n GLU 20 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 1o6x h GLU 21 N 0.00 -0.83 -0.79 3.49 4.22 -1.96 1.45 114.58 120.15 1o6x h GLU 21 Ca -0.08 0.06 0.03 0.00 0.08 0.00 0.00 59.36 59.45 1o6x h GLU 21 Cb 1.18 0.19 -0.04 0.00 0.50 0.00 0.00 28.75 30.58 1o6x h GLU 21 CO 0.00 -0.53 0.52 1.96 -2.18 0.00 0.00 179.01 178.79 1o6x h GLN 22 N -0.96 0.96 -0.24 1.92 7.50 -1.85 0.47 115.11 122.91 1o6x h GLN 22 Ca -0.09 -0.06 -0.14 0.00 0.50 0.00 0.00 58.65 58.87 1o6x h GLN 22 Cb 0.69 -0.22 -0.00 0.00 0.05 0.00 0.00 27.48 28.01 1o6x h GLN 22 CO 0.15 0.64 -0.39 0.82 -1.50 0.00 0.00 178.83 178.54 1o6x h ILE 23 N 0.99 1.31 0.00 2.54 2.04 -1.65 -2.46 117.51 120.28 1o6x h ILE 23 Ca 0.31 -1.59 0.00 0.00 1.00 0.00 0.00 64.86 64.58 1o6x h ILE 23 Cb 0.02 1.75 0.00 0.00 -0.74 0.00 0.00 36.82 37.84 1o6x h ILE 23 CO -0.09 0.50 0.00 0.50 0.00 0.00 0.00 178.15 179.07 1o6x h LYS 24 N 0.40 0.00 0.12 2.37 3.64 0.29 -2.21 116.57 121.18 1o6x h LYS 24 Ca 0.02 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1o6x h LYS 24 Cb 0.98 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 1o6x h LYS 24 CO 0.09 0.00 -0.06 -0.97 -2.27 0.00 0.00 179.45 176.24 1o6x h ASN 25 N 0.00 -0.14 0.28 4.20 -0.73 -0.48 -2.74 115.58 115.97 1o6x h ASN 25 Ca 0.00 -0.34 0.00 0.00 1.87 0.00 0.00 56.30 57.83 1o6x h ASN 25 Cb 0.22 0.04 -0.04 0.00 0.27 0.00 0.00 38.32 38.81 1o6x h ASN 25 CO 0.00 0.47 -0.52 0.25 -0.37 0.00 0.00 177.43 177.26 1o6x h LEU 26 N -0.95 -1.51 -0.84 0.34 5.85 -1.16 0.53 115.31 117.57 1o6x h LEU 26 Ca -0.02 0.14 0.16 0.00 0.84 0.00 0.00 57.88 59.01 1o6x h LEU 26 Cb 0.47 0.53 -0.16 0.00 0.37 0.00 0.00 40.66 41.88 1o6x h LEU 26 CO 0.03 -0.60 -0.26 -0.07 -0.34 0.00 0.00 178.44 177.19 1o6x h LEU 27 N -0.86 -0.95 -1.23 2.25 3.38 -1.55 1.57 115.31 117.92 1o6x h LEU 27 Ca -0.03 0.26 0.10 0.00 0.09 0.00 0.00 57.88 58.30 1o6x h LEU 27 Cb 0.81 0.57 -0.06 0.00 0.09 0.00 0.00 40.66 42.07 1o6x h LEU 27 CO -0.20 -0.29 0.57 -0.61 0.09 0.00 0.00 178.44 178.00 1o6x h GLN 28 N -0.02 0.82 0.40 1.13 4.15 -1.00 1.48 115.11 122.07 1o6x h GLN 28 Ca 0.37 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.73 1o6x h GLN 28 Cb 0.61 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.12 1o6x h GLN 28 CO -0.87 0.54 -0.19 1.25 -1.93 0.00 0.00 178.83 177.63 1o6x h LEU 29 N 0.84 -0.45 -0.73 -2.39 5.85 0.42 -2.80 115.31 116.06 1o6x h LEU 29 Ca 0.41 0.02 0.10 0.00 0.84 0.00 0.00 57.88 59.24 1o6x h LEU 29 Cb 0.44 0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.51 1o6x h LEU 29 CO -0.17 -0.20 0.37 -0.08 -0.34 0.00 0.00 178.44 178.01 1o6x h GLU 30 N -0.77 0.59 -0.99 1.25 4.81 -0.11 0.31 114.58 119.67 1o6x h GLU 30 Ca -0.05 -0.04 0.27 0.00 -0.13 0.00 0.00 59.36 59.41 1o6x h GLU 30 Cb 0.41 -0.13 -0.13 0.00 0.63 0.00 0.00 28.75 29.52 1o6x h GLU 30 CO 0.09 0.39 0.56 0.00 -0.73 0.00 0.00 179.01 179.32 1o6x h ALA 31 N 1.44 1.81 0.00 2.92 0.00 0.20 -3.05 119.26 122.59 1o6x h ALA 31 Ca 0.36 0.15 -0.58 0.00 0.00 0.00 0.00 54.91 54.84 1o6x h ALA 31 Cb 0.40 0.08 0.07 0.00 0.00 0.00 0.00 17.79 18.34 1o6x h ALA 31 CO -0.28 -0.39 2.03 1.04 0.00 0.00 0.00 179.25 181.65 1o6x n GLN 32 N -4.97 1.09 -1.53 0.00 1.13 0.10 -4.83 117.38 108.38 1o6x n GLN 32 Ca 0.28 -1.53 -0.23 0.00 -1.94 0.00 0.00 57.00 53.58 1o6x n GLN 32 Cb 0.82 -2.72 -0.14 0.00 0.11 0.00 0.00 30.24 28.31 1o6x n GLN 32 CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 1o6x n GLU 33 N 6.92 0.32 0.00 -1.09 0.28 -1.15 -3.65 120.64 122.26 1o6x n GLU 33 Ca 0.46 -0.30 0.00 0.00 -0.16 0.00 0.00 57.16 57.17 1o6x n GLU 33 Cb 0.37 -2.31 0.00 0.00 1.43 0.00 0.00 31.44 30.93 1o6x n GLU 33 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1o6x n HIS 34 N 12.09 -1.00 0.00 -1.84 8.25 -1.26 -5.04 115.22 126.41 1o6x n HIS 34 Ca 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 58.03 1o6x n HIS 34 Cb 0.27 0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.59 1o6x n HIS 34 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1o6x n LEU 35 N -1.89 0.08 0.00 2.41 4.77 -1.24 -5.02 117.00 116.11 1o6x n LEU 35 Ca 0.00 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1o6x n LEU 35 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1o6x n LEU 35 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.06 1o6x n GLN 36 N -0.03 0.00 -3.10 3.23 1.13 -1.26 -5.01 117.38 112.34 1o6x n GLN 36 Ca 0.00 0.00 -0.22 0.00 -1.94 0.00 0.00 57.00 54.84 1o6x n GLN 36 Cb 0.00 0.00 0.01 0.00 0.11 0.00 0.00 30.24 30.36 1o6x n GLN 36 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1o6x s LEU 37 N 0.00 3.74 -0.30 1.08 1.02 -1.26 -4.39 118.68 118.57 1o6x s LEU 37 Ca 0.00 0.23 -0.07 0.00 0.02 0.00 0.00 54.13 54.32 1o6x s LEU 37 Cb 0.00 -3.12 0.19 0.00 0.02 0.00 0.00 46.19 43.28 1o6x s LEU 37 CO 0.00 -0.61 0.88 -0.62 0.02 0.00 0.00 176.35 176.01 1o6x s ASP 38 N -4.19 -0.84 0.01 2.29 2.15 -1.26 -4.93 116.67 109.89 1o6x s ASP 38 Ca 0.47 0.33 -0.30 0.00 0.43 0.00 0.00 52.55 53.48 1o6x s ASP 38 Cb -0.10 1.63 -0.07 0.00 -0.30 0.00 0.00 42.92 44.07 1o6x s ASP 38 CO 0.37 -0.16 1.80 -0.36 -0.17 0.00 0.00 175.17 176.65 1o6x s PHE 39 N 2.91 1.71 0.04 -5.34 0.08 -1.26 -3.35 117.98 112.77 1o6x s PHE 39 Ca 0.12 -0.10 -0.16 0.00 0.12 0.00 0.00 56.93 56.91 1o6x s PHE 39 Cb -0.09 -4.08 -0.31 0.00 -0.57 0.00 0.00 43.02 37.97 1o6x s PHE 39 CO -0.19 -4.68 1.06 -1.49 -0.10 0.00 0.00 175.22 169.83 1o6x h TRP 40 N 9.86 0.97 -3.84 0.36 4.06 -1.23 -3.47 115.95 122.66 1o6x h TRP 40 Ca -0.44 -0.64 0.00 0.00 2.06 0.00 0.00 58.89 59.87 1o6x h TRP 40 Cb 1.21 -0.07 0.00 0.00 -1.00 0.00 0.00 29.16 29.30 1o6x h TRP 40 CO 0.90 1.48 0.00 1.63 -3.56 0.00 0.00 178.44 178.89 1o6x n LYS 41 N -3.82 1.73 -3.76 0.49 5.02 -1.26 -4.97 118.16 111.58 1o6x n LYS 41 Ca -0.14 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.79 1o6x n LYS 41 Cb 0.99 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.90 1o6x n LYS 41 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1o6x s SER 42 N -0.87 5.11 0.00 4.39 1.04 -1.26 -4.87 113.70 117.24 1o6x s SER 42 Ca 0.00 -2.74 0.24 0.00 0.48 0.00 0.00 55.95 53.92 1o6x s SER 42 Cb 0.00 -1.82 1.33 0.00 0.10 0.00 0.00 66.02 65.63 1o6x s SER 42 CO 0.00 -0.38 1.78 -0.81 0.98 0.00 0.00 173.24 174.81 1o6x n PRO 43 N 3.61 0.59 -0.37 4.02 -0.04 -1.26 -4.03 135.00 137.52 1o6x n PRO 43 Ca 0.06 0.03 -0.10 0.00 -0.04 0.00 0.00 63.50 63.45 1o6x n PRO 43 Cb 0.38 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.25 1o6x n PRO 43 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1o6x n THR 44 N -1.10 -0.60 -3.02 0.52 -1.04 -1.26 -4.39 114.28 103.39 1o6x n THR 44 Ca 0.15 2.15 -0.29 0.00 -2.04 0.00 0.00 64.05 64.02 1o6x n THR 44 Cb 0.12 -2.65 -0.02 0.00 -1.82 0.00 0.00 70.33 65.95 1o6x n THR 44 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1o6x s THR 45 N -5.41 4.91 0.57 12.58 -4.23 -1.26 -4.99 115.64 117.82 1o6x s THR 45 Ca -0.11 0.27 -0.16 0.00 -1.18 0.00 0.00 61.69 60.51 1o6x s THR 45 Cb 0.10 -3.77 -0.05 0.00 1.34 0.00 0.00 72.50 70.12 1o6x s THR 45 CO 0.55 -0.51 1.05 -2.16 -0.54 0.00 0.00 174.62 173.00 1o6x s PRO 46 N -3.94 3.45 0.00 3.99 0.04 -1.26 -3.39 135.00 133.89 1o6x s PRO 46 Ca 0.47 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.70 1o6x s PRO 46 Cb -0.10 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1o6x s PRO 46 CO 0.34 -0.70 0.00 0.41 0.04 0.00 0.00 177.00 177.09 1o6x n GLY 47 N -1.00 1.22 3.39 0.56 0.00 -1.23 -4.99 105.19 103.14 1o6x n GLY 47 Ca 0.08 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.67 1o6x n GLY 47 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1o6x s GLU 48 N -0.18 2.94 0.38 1.61 2.02 -1.22 -5.02 118.70 119.24 1o6x s GLU 48 Ca 0.00 -1.30 -0.27 0.00 0.02 0.00 0.00 54.97 53.42 1o6x s GLU 48 Cb 0.00 -4.07 -0.11 0.00 0.10 0.00 0.00 34.13 30.05 1o6x s GLU 48 CO 0.00 -0.97 1.39 0.25 0.02 0.00 0.00 175.26 175.95 1o6x n THR 49 N 5.17 2.19 -4.29 3.63 -2.24 -1.26 -4.46 114.28 113.02 1o6x n THR 49 Ca -0.12 -0.50 -0.26 0.00 -2.27 0.00 0.00 64.05 60.90 1o6x n THR 49 Cb 0.44 -1.78 -0.09 0.00 -2.10 0.00 0.00 70.33 66.80 1o6x n THR 49 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1o6x s ALA 50 N -1.13 3.03 -0.31 6.98 0.00 -0.41 -4.58 121.76 125.35 1o6x s ALA 50 Ca 0.56 -1.52 0.01 0.00 0.00 0.00 0.00 51.96 51.01 1o6x s ALA 50 Cb -0.50 -0.76 0.15 0.00 0.00 0.00 0.00 23.12 22.00 1o6x s ALA 50 CO 0.62 0.40 0.34 -1.01 0.00 0.00 0.00 175.76 176.11 1o6x s HIS 51 N -1.91 -0.55 -0.17 0.00 3.76 -1.25 -1.33 115.29 113.84 1o6x s HIS 51 Ca 0.27 -0.21 -0.06 0.00 -0.15 0.00 0.00 55.06 54.91 1o6x s HIS 51 Cb -0.08 -0.39 -0.04 0.00 1.11 0.00 0.00 32.58 33.19 1o6x s HIS 51 CO 0.17 -0.95 0.03 0.14 -0.85 0.00 0.00 174.74 173.28 1o6x s VAL 52 N 2.20 4.48 -1.08 -0.90 -7.23 -1.24 -0.58 120.40 116.05 1o6x s VAL 52 Ca 0.11 -0.15 -0.21 0.00 -1.81 0.00 0.00 61.98 59.93 1o6x s VAL 52 Cb -0.14 -2.99 0.07 0.00 0.56 0.00 0.00 36.38 33.88 1o6x s VAL 52 CO -0.26 0.48 1.47 -0.60 -0.31 0.00 0.00 175.10 175.88 1o6x s ARG 53 N 0.28 3.72 0.11 4.82 3.52 -1.21 -3.45 118.95 126.73 1o6x s ARG 53 Ca 0.01 -1.51 -0.08 0.00 -0.13 0.00 0.00 55.73 54.02 1o6x s ARG 53 Cb -0.13 -5.32 -0.06 0.00 -1.56 0.00 0.00 34.95 27.89 1o6x s ARG 53 CO 0.01 -2.13 0.41 0.54 -0.81 0.00 0.00 175.30 173.32 1o6x s VAL 54 N 4.24 5.10 0.20 7.11 0.11 -0.77 -4.49 120.40 131.90 1o6x s VAL 54 Ca 0.46 0.34 -0.30 0.00 -2.93 0.00 0.00 61.98 59.54 1o6x s VAL 54 Cb 0.00 -3.64 -0.08 0.00 -1.53 0.00 0.00 36.38 31.13 1o6x s VAL 54 CO -0.05 0.18 1.11 -2.16 -3.33 0.00 0.00 175.10 170.85 1o6x s PRO 55 N -2.22 4.60 0.32 1.54 0.04 -1.26 0.90 135.00 138.92 1o6x s PRO 55 Ca 0.37 1.75 0.09 0.00 0.04 0.00 0.00 61.00 63.25 1o6x s PRO 55 Cb -0.13 -3.25 0.86 0.00 0.04 0.00 0.00 34.50 32.01 1o6x s PRO 55 CO 0.20 0.09 1.75 0.35 0.04 0.00 0.00 177.00 179.44 1o6x h PHE 56 N 4.84 1.00 0.00 0.56 3.57 -1.68 2.15 116.94 127.38 1o6x h PHE 56 Ca -0.45 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.09 1o6x h PHE 56 Cb 1.21 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.66 1o6x h PHE 56 CO 0.62 0.13 0.00 -0.24 -2.23 0.00 0.00 178.31 176.58 1o6x h VAL 57 N 0.63 0.00 0.00 1.41 3.04 -1.92 -1.20 116.25 118.21 1o6x h VAL 57 Ca 0.61 -0.26 0.00 0.00 -1.01 0.00 0.00 66.70 66.04 1o6x h VAL 57 Cb 1.13 1.14 0.00 0.00 -2.01 0.00 0.00 31.29 31.55 1o6x h VAL 57 CO -0.42 0.00 -0.00 -3.20 -1.01 0.00 0.00 177.57 172.93 1o6x n ASN 58 N -2.81 2.04 0.11 3.17 5.15 0.60 -4.60 115.26 118.92 1o6x n ASN 58 Ca -0.00 -2.29 -0.03 0.00 -0.60 0.00 0.00 54.58 51.66 1o6x n ASN 58 Cb 0.20 -0.12 0.05 0.00 -0.53 0.00 0.00 39.78 39.37 1o6x n ASN 58 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 1o6x h VAL 59 N 0.12 1.49 0.12 3.44 2.07 0.37 -2.98 116.25 120.88 1o6x h VAL 59 Ca 0.00 -2.64 -0.01 0.00 0.82 0.00 0.00 66.70 64.88 1o6x h VAL 59 Cb 0.66 2.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.87 1o6x h VAL 59 CO 0.00 0.74 -0.06 -0.61 0.02 0.00 0.00 177.57 177.66 1o6x h GLN 60 N 0.00 -0.16 -1.24 1.57 4.15 -1.81 0.68 115.11 118.30 1o6x h GLN 60 Ca -0.01 0.01 0.40 0.00 0.77 0.00 0.00 58.65 59.82 1o6x h GLN 60 Cb 1.38 0.04 -0.13 0.00 0.21 0.00 0.00 27.48 28.98 1o6x h GLN 60 CO 0.10 -0.11 0.79 0.00 -1.93 0.00 0.00 178.83 177.68 1o6x h ALA 61 N -1.85 2.57 -0.07 3.38 0.00 -1.87 1.64 119.26 123.05 1o6x h ALA 61 Ca -0.02 0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 1o6x h ALA 61 Cb 0.13 0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.10 1o6x h ALA 61 CO 0.03 -1.17 -0.58 0.28 0.00 0.00 0.00 179.25 177.81 1o6x h VAL 62 N 0.15 1.37 -0.53 0.00 2.07 -1.47 -1.57 116.25 116.27 1o6x h VAL 62 Ca 0.78 -1.93 0.02 0.00 0.82 0.00 0.00 66.70 66.39 1o6x h VAL 62 Cb 2.32 2.31 -0.03 0.00 -1.52 0.00 0.00 31.29 34.37 1o6x h VAL 62 CO -0.43 0.58 0.35 0.50 0.02 0.00 0.00 177.57 178.59 1o6x h LYS 63 N 0.10 0.61 -0.04 1.57 3.64 0.83 0.28 116.57 123.57 1o6x h LYS 63 Ca -0.05 -0.04 -0.18 0.00 -1.27 0.00 0.00 60.65 59.11 1o6x h LYS 63 Cb 1.24 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.92 1o6x h LYS 63 CO 0.12 0.41 -0.77 0.28 -2.27 0.00 0.00 179.45 177.21 1o6x h VAL 64 N 0.63 1.43 0.58 2.00 2.07 0.12 -3.07 116.25 120.01 1o6x h VAL 64 Ca 0.21 -2.30 -0.03 0.00 0.82 0.00 0.00 66.70 65.39 1o6x h VAL 64 Cb 0.05 2.24 0.01 0.00 -1.52 0.00 0.00 31.29 32.07 1o6x h VAL 64 CO -0.05 0.68 -0.28 0.15 0.02 0.00 0.00 177.57 178.09 1o6x h PHE 65 N 0.18 -0.73 -0.51 1.57 3.57 0.03 0.23 116.94 121.30 1o6x h PHE 65 Ca -0.03 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.54 1o6x h PHE 65 Cb 1.35 0.24 -0.10 0.00 2.79 0.00 0.00 35.95 40.23 1o6x h PHE 65 CO 0.03 -0.40 -0.36 -0.07 -2.23 0.00 0.00 178.31 175.29 1o6x h LEU 66 N -0.94 -1.22 -0.63 0.59 3.38 -1.20 0.51 115.31 115.80 1o6x h LEU 66 Ca -0.08 0.22 0.03 0.00 0.09 0.00 0.00 57.88 58.14 1o6x h LEU 66 Cb 0.65 0.58 -0.04 0.00 0.09 0.00 0.00 40.66 41.94 1o6x h LEU 66 CO 0.13 -0.32 0.39 -0.33 0.09 0.00 0.00 178.44 178.40 1o6x h GLU 67 N -0.22 0.73 -0.84 1.13 4.39 -1.49 -1.09 114.58 117.19 1o6x h GLU 67 Ca 0.19 -0.04 0.08 0.00 0.34 0.00 0.00 59.36 59.93 1o6x h GLU 67 Cb 0.55 -0.17 -0.07 0.00 -0.10 0.00 0.00 28.75 28.97 1o6x h GLU 67 CO -0.62 0.49 0.50 0.66 -1.16 0.00 0.00 179.01 178.87 1o6x h SER 68 N 0.76 0.74 -0.06 1.42 4.64 0.24 0.46 113.55 121.75 1o6x h SER 68 Ca 0.26 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1o6x h SER 68 Cb 0.04 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1o6x h SER 68 CO -0.11 0.45 0.00 0.00 -0.87 0.00 0.00 176.83 176.29 1o6x n GLN 69 N -4.69 1.17 -3.98 4.77 10.64 0.15 -4.88 117.38 120.55 1o6x n GLN 69 Ca 0.13 -0.22 -0.31 0.00 -1.83 0.00 0.00 57.00 54.78 1o6x n GLN 69 Cb 0.24 -1.14 -0.02 0.00 -0.86 0.00 0.00 30.24 28.45 1o6x n GLN 69 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1o6x n GLY 70 N 0.49 -0.45 3.85 2.61 0.00 0.16 -4.73 105.19 107.11 1o6x n GLY 70 Ca 0.02 0.24 -0.24 0.00 0.00 0.00 0.00 46.02 46.04 1o6x n GLY 70 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1o6x s ILE 71 N -3.88 2.16 -0.17 -0.61 2.07 -0.51 -5.02 121.20 115.24 1o6x s ILE 71 Ca 0.17 -1.50 0.01 0.00 -1.41 0.00 0.00 60.65 57.91 1o6x s ILE 71 Cb -0.07 -2.67 0.03 0.00 0.13 0.00 0.00 42.46 39.88 1o6x s ILE 71 CO 0.92 0.00 -0.16 0.00 -1.91 0.00 0.00 174.94 173.79 1o6x s ALA 72 N -2.63 2.10 0.00 1.50 0.00 -1.26 -4.63 121.76 116.84 1o6x s ALA 72 Ca 0.40 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 51.26 1o6x s ALA 72 Cb -0.01 -1.16 0.00 0.00 0.00 0.00 0.00 23.12 21.96 1o6x s ALA 72 CO 0.24 -0.45 0.00 2.48 0.00 0.00 0.00 175.76 178.02 1o6x n TYR 73 N 4.68 0.00 -3.73 0.00 4.11 -1.26 -0.49 117.16 120.47 1o6x n TYR 73 Ca -0.18 0.00 -0.05 0.00 -0.00 0.00 0.00 57.90 57.66 1o6x n TYR 73 Cb 0.49 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.82 1o6x n TYR 73 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.86 175.74 1o6x s SER 74 N -0.82 -0.24 -0.21 9.48 0.01 0.24 -4.94 113.70 117.21 1o6x s SER 74 Ca 0.00 -0.39 -0.11 0.00 1.31 0.00 0.00 55.95 56.76 1o6x s SER 74 Cb 0.00 0.54 -0.05 0.00 0.21 0.00 0.00 66.02 66.73 1o6x s SER 74 CO 0.00 -0.99 0.18 -0.63 0.41 0.00 0.00 173.24 172.21 1o6x s ILE 75 N -3.46 5.36 -0.01 1.44 1.01 -1.26 -0.53 121.20 123.75 1o6x s ILE 75 Ca 0.10 0.26 -0.01 0.00 0.00 0.00 0.00 60.65 61.00 1o6x s ILE 75 Cb -0.02 -3.52 -0.00 0.00 0.01 0.00 0.00 42.46 38.92 1o6x s ILE 75 CO 0.01 0.38 -0.03 0.80 0.00 0.00 0.00 174.94 176.11 1o6x n MET 76 N 3.93 0.04 -3.82 2.79 1.56 -1.25 -4.86 117.12 115.51 1o6x n MET 76 Ca -0.15 0.02 -0.36 0.00 -0.27 0.00 0.00 57.70 56.94 1o6x n MET 76 Cb 0.52 -0.45 -0.13 0.00 2.15 0.00 0.00 33.22 35.31 1o6x n MET 76 CO 0.00 0.00 0.00 0.96 -0.73 0.00 0.00 175.97 176.20 1o6x s ILE 77 N -1.17 3.84 0.00 1.12 -4.36 -1.26 -5.04 121.20 114.33 1o6x s ILE 77 Ca -0.02 -0.44 0.00 0.00 -0.26 0.00 0.00 60.65 59.93 1o6x s ILE 77 Cb 0.00 -2.83 0.00 0.00 1.25 0.00 0.00 42.46 40.89 1o6x s ILE 77 CO 0.03 0.30 0.00 1.21 0.24 0.00 0.00 174.94 176.73 1o6x n GLU 78 N 4.86 0.19 -2.31 0.37 2.13 -1.26 -2.80 120.64 121.81 1o6x n GLU 78 Ca -0.17 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.23 1o6x n GLU 78 Cb 0.50 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.21 1o6x n GLU 78 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1o6x n ASP 79 N 0.00 4.72 -4.36 4.31 8.00 -1.26 -4.93 116.55 123.03 1o6x n ASP 79 Ca 0.00 -2.97 -0.52 0.00 0.71 0.00 0.00 54.79 52.01 1o6x n ASP 79 Cb 0.00 -1.60 -0.12 0.00 -0.02 0.00 0.00 41.12 39.38 1o6x n ASP 79 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1o6x n VAL 80 N 4.62 0.02 0.00 2.53 3.14 -1.26 -5.29 118.33 122.08 1o6x n VAL 80 Ca 0.44 -0.05 0.00 0.00 -2.96 0.00 0.00 64.34 61.77 1o6x n VAL 80 Cb 0.40 -0.69 0.00 0.00 -1.06 0.00 0.00 33.84 32.49 1o6x n VAL 80 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37