#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jt6 h LEU 3 N 0.00 0.95 -0.74 1.20 5.85 -1.98 -0.08 115.31 120.51 1jt6 h LEU 3 Ca 0.00 -0.36 0.10 0.00 0.84 0.00 0.00 57.88 58.46 1jt6 h LEU 3 Cb 0.00 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 40.70 1jt6 h LEU 3 CO 0.00 1.09 0.37 0.50 -0.34 0.00 0.00 178.44 180.06 1jt6 h LYS 4 N 0.80 0.60 0.00 1.25 3.64 -1.99 0.17 116.57 121.04 1jt6 h LYS 4 Ca 0.12 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.39 1jt6 h LYS 4 Cb 0.67 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 1jt6 h LYS 4 CO 0.05 0.40 -0.39 -0.44 -2.27 0.00 0.00 179.45 176.79 1jt6 h ASP 5 N 0.62 0.00 -0.10 4.20 3.32 -1.90 -1.17 116.42 121.38 1jt6 h ASP 5 Ca 0.37 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.22 1jt6 h ASP 5 Cb 0.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1jt6 h ASP 5 CO -0.28 0.39 -0.69 0.50 -1.72 0.00 0.00 179.24 177.44 1jt6 h LYS 6 N 0.00 0.73 -0.63 3.56 1.63 0.90 -1.50 116.57 121.27 1jt6 h LYS 6 Ca -0.00 -0.55 -0.04 0.00 -0.85 0.00 0.00 60.65 59.21 1jt6 h LYS 6 Cb 0.87 0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 32.57 1jt6 h LYS 6 CO 0.05 1.16 0.22 0.82 -3.45 0.00 0.00 179.45 178.25 1jt6 h ILE 7 N 0.52 1.24 -0.15 2.00 2.04 -0.31 0.47 117.51 123.32 1jt6 h ILE 7 Ca -0.03 -0.80 -0.02 0.00 1.00 0.00 0.00 64.86 65.01 1jt6 h ILE 7 Cb 1.30 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 1jt6 h ILE 7 CO 0.14 0.31 0.02 -0.07 0.00 0.00 0.00 178.15 178.55 1jt6 h LEU 8 N 0.89 0.25 -0.22 1.44 3.38 -1.18 0.09 115.31 119.96 1jt6 h LEU 8 Ca 0.21 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.91 1jt6 h LEU 8 Cb 0.26 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1jt6 h LEU 8 CO -0.01 0.46 0.13 1.23 0.09 0.00 0.00 178.44 180.34 1jt6 h GLY 9 N 0.03 0.31 0.97 0.83 0.00 -1.13 0.87 103.07 104.94 1jt6 h GLY 9 Ca 0.05 -0.10 -0.07 0.00 0.00 0.00 0.00 47.33 47.21 1jt6 h GLY 9 CO 0.00 0.10 0.02 -2.08 0.00 0.00 0.00 176.54 174.59 1jt6 h VAL 10 N 0.28 1.26 -0.74 4.60 2.07 -0.89 -2.70 116.25 120.12 1jt6 h VAL 10 Ca 0.08 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 1jt6 h VAL 10 Cb -0.01 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 1jt6 h VAL 10 CO -0.03 0.34 0.43 0.00 0.02 0.00 0.00 177.57 178.33 1jt6 h ALA 11 N 0.92 0.94 -0.02 1.67 0.00 -0.69 -0.54 119.26 121.55 1jt6 h ALA 11 Ca 0.13 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1jt6 h ALA 11 Cb 0.46 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1jt6 h ALA 11 CO 0.02 0.43 -0.18 -0.22 0.00 0.00 0.00 179.25 179.29 1jt6 h LYS 12 N 1.01 -0.28 -0.91 0.00 3.64 -0.67 0.13 116.57 119.49 1jt6 h LYS 12 Ca 0.26 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.68 1jt6 h LYS 12 Cb -0.01 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.82 1jt6 h LYS 12 CO -0.05 -0.19 0.60 0.93 -2.27 0.00 0.00 179.45 178.48 1jt6 h GLU 13 N -0.29 1.17 -0.21 1.90 4.39 -1.18 0.80 114.58 121.16 1jt6 h GLU 13 Ca 0.06 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.65 1jt6 h GLU 13 Cb 0.37 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 1jt6 h GLU 13 CO -0.19 0.77 -0.01 -0.07 -1.16 0.00 0.00 179.01 178.35 1jt6 h LEU 14 N 1.20 0.37 -0.89 1.33 3.38 -0.53 -0.26 115.31 119.91 1jt6 h LEU 14 Ca 0.34 -0.33 0.05 0.00 0.09 0.00 0.00 57.88 58.04 1jt6 h LEU 14 Cb -0.09 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.50 1jt6 h LEU 14 CO -0.09 0.61 0.56 -0.26 0.09 0.00 0.00 178.44 179.36 1jt6 h PHE 15 N 0.13 1.05 0.04 1.13 0.05 -0.05 0.65 116.94 119.94 1jt6 h PHE 15 Ca 0.06 0.03 -0.00 0.00 3.82 0.00 0.00 57.97 61.87 1jt6 h PHE 15 Cb 0.43 -0.34 0.00 0.00 2.00 0.00 0.00 35.95 38.04 1jt6 h PHE 15 CO 0.04 0.56 -0.02 0.82 -0.18 0.00 0.00 178.31 179.53 1jt6 h ILE 16 N 1.05 1.13 -0.36 -0.55 2.04 -0.64 0.76 117.51 120.94 1jt6 h ILE 16 Ca 0.38 -0.55 -0.13 0.00 1.00 0.00 0.00 64.86 65.56 1jt6 h ILE 16 Cb 0.12 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 1jt6 h ILE 16 CO -0.16 0.14 -0.30 0.50 0.00 0.00 0.00 178.15 178.33 1jt6 h LYS 17 N -0.30 0.77 -0.00 2.37 3.64 -0.71 -3.35 116.57 118.99 1jt6 h LYS 17 Ca -0.01 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 1jt6 h LYS 17 Cb 0.27 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1jt6 h LYS 17 CO 0.01 0.97 -0.05 0.09 -2.27 0.00 0.00 179.45 178.20 1jt6 n ASN 18 N -4.08 1.05 0.00 4.20 3.02 0.19 -5.10 115.26 114.54 1jt6 n ASN 18 Ca -0.01 -1.02 0.00 0.00 -0.03 0.00 0.00 54.58 53.52 1jt6 n ASN 18 Cb 0.48 0.26 0.00 0.00 -0.61 0.00 0.00 39.78 39.91 1jt6 n ASN 18 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jt6 n GLY 19 N 0.47 -1.70 0.36 7.41 0.00 0.26 -4.32 105.19 107.67 1jt6 n GLY 19 Ca 0.02 -1.54 -0.17 0.00 0.00 0.00 0.00 46.02 44.33 1jt6 n GLY 19 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1jt6 h TYR 20 N 0.00 -0.85 -0.76 1.61 3.20 -1.84 -3.13 116.97 115.19 1jt6 h TYR 20 Ca 0.00 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.81 1jt6 h TYR 20 Cb 0.00 0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.54 1jt6 h TYR 20 CO 0.00 -0.50 0.29 -0.91 -1.64 0.00 0.00 178.16 175.40 1jt6 h ASN 21 N -0.81 1.07 1.45 -2.11 2.35 -1.95 -3.05 115.58 112.51 1jt6 h ASN 21 Ca -0.06 -0.17 -0.02 0.00 -0.55 0.00 0.00 56.30 55.50 1jt6 h ASN 21 Cb 0.66 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.75 1jt6 h ASN 21 CO 0.07 0.95 -0.08 0.00 -1.65 0.00 0.00 177.43 176.72 1jt6 h ALA 22 N 1.19 0.97 -2.41 -0.83 0.00 -1.75 -3.44 119.26 112.99 1jt6 h ALA 22 Ca 0.25 -0.08 -0.54 0.00 0.00 0.00 0.00 54.91 54.55 1jt6 h ALA 22 Cb 0.24 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1jt6 h ALA 22 CO -0.02 0.10 0.63 0.99 0.00 0.00 0.00 179.25 180.95 1jt6 s THR 23 N -3.41 4.10 0.09 0.00 2.01 -1.15 -5.03 115.64 112.24 1jt6 s THR 23 Ca 0.04 1.48 0.03 0.00 0.31 0.00 0.00 61.69 63.55 1jt6 s THR 23 Cb 0.07 -3.95 -0.04 0.00 0.01 0.00 0.00 72.50 68.59 1jt6 s THR 23 CO 0.63 0.06 0.11 0.42 -0.69 0.00 0.00 174.62 175.15 1jt6 s THR 24 N 1.57 4.65 0.25 -0.82 -4.23 -1.26 -5.00 115.64 110.80 1jt6 s THR 24 Ca 0.58 -0.76 0.30 0.00 -1.18 0.00 0.00 61.69 60.63 1jt6 s THR 24 Cb -0.28 -3.27 0.32 0.00 1.34 0.00 0.00 72.50 70.62 1jt6 s THR 24 CO 0.26 0.09 1.99 0.71 -0.54 0.00 0.00 174.62 177.14 1jt6 h THR 25 N 2.42 0.33 -0.60 3.99 1.35 -1.98 -2.02 112.91 116.39 1jt6 h THR 25 Ca -0.47 -0.67 -0.06 0.00 -0.55 0.00 0.00 66.41 64.67 1jt6 h THR 25 Cb 1.17 1.50 -0.02 0.00 -1.73 0.00 0.00 68.15 69.07 1jt6 h THR 25 CO 0.67 0.10 0.15 1.23 -0.25 0.00 0.00 175.52 177.42 1jt6 h GLY 26 N 1.56 1.03 0.96 5.82 0.00 -1.98 0.19 103.07 110.64 1jt6 h GLY 26 Ca -0.00 -0.64 -0.05 0.00 0.00 0.00 0.00 47.33 46.63 1jt6 h GLY 26 CO 0.01 0.60 0.08 0.83 0.00 0.00 0.00 176.54 178.06 1jt6 h GLU 27 N 0.87 0.74 -0.39 4.80 5.08 -1.80 -0.87 114.58 123.02 1jt6 h GLU 27 Ca 0.19 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1jt6 h GLU 27 Cb 0.35 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1jt6 h GLU 27 CO 0.00 0.76 0.05 0.82 -1.00 0.00 0.00 179.01 179.63 1jt6 h ILE 28 N 0.61 1.20 0.15 3.13 2.04 -1.05 0.13 117.51 123.72 1jt6 h ILE 28 Ca 0.14 -0.75 -0.01 0.00 1.00 0.00 0.00 64.86 65.24 1jt6 h ILE 28 Cb 0.37 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1jt6 h ILE 28 CO 0.01 0.27 -0.07 0.58 0.00 0.00 0.00 178.15 178.93 1jt6 h VAL 29 N 0.57 0.99 -0.11 1.67 2.07 -0.10 -2.57 116.25 118.78 1jt6 h VAL 29 Ca 0.13 -0.79 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 1jt6 h VAL 29 Cb 0.30 1.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1jt6 h VAL 29 CO 0.00 0.18 -0.03 0.50 0.02 0.00 0.00 177.57 178.25 1jt6 h LYS 30 N -0.60 0.21 0.00 1.57 3.11 -1.06 -0.90 116.57 118.90 1jt6 h LYS 30 Ca -0.02 -0.08 0.00 0.00 -2.81 0.00 0.00 60.65 57.74 1jt6 h LYS 30 Cb 0.45 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.67 1jt6 h LYS 30 CO 0.03 0.52 0.00 -0.07 -2.81 0.00 0.00 179.45 177.12 1jt6 h LEU 31 N -0.11 0.00 -2.05 5.20 3.38 -0.82 -1.56 115.31 119.36 1jt6 h LEU 31 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1jt6 h LEU 31 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1jt6 h LEU 31 CO 0.01 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.00 1jt6 n SER 32 N -2.96 2.84 -3.60 -0.43 3.41 -0.97 -4.96 113.62 106.95 1jt6 n SER 32 Ca -0.01 -1.84 -0.21 0.00 -0.26 0.00 0.00 58.87 56.55 1jt6 n SER 32 Cb 0.15 -0.12 0.06 0.00 -0.26 0.00 0.00 64.21 64.05 1jt6 n SER 32 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jt6 n GLU 33 N 1.08 -6.11 0.00 4.33 1.02 -0.59 -4.83 120.64 115.54 1jt6 n GLU 33 Ca 0.13 0.74 0.00 0.00 -0.02 0.00 0.00 57.16 58.01 1jt6 n GLU 33 Cb 0.48 -5.59 0.00 0.00 -0.02 0.00 0.00 31.44 26.31 1jt6 n GLU 33 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1jt6 n SER 34 N -3.06 0.00 -3.67 1.62 2.88 -0.39 -5.05 113.62 105.95 1jt6 n SER 34 Ca -0.22 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.22 1jt6 n SER 34 Cb 0.64 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 64.05 1jt6 n SER 34 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1jt6 s SER 35 N 1.00 -0.17 0.27 -3.46 1.04 -1.26 -4.79 113.70 106.33 1jt6 s SER 35 Ca 0.00 -0.37 -0.01 0.00 0.48 0.00 0.00 55.95 56.05 1jt6 s SER 35 Cb 0.00 0.45 0.47 0.00 0.10 0.00 0.00 66.02 67.04 1jt6 s SER 35 CO 0.00 -0.83 1.86 0.11 0.98 0.00 0.00 173.24 175.37 1jt6 h LYS 36 N 2.45 1.07 -0.47 4.02 1.57 -1.94 -1.01 116.57 122.26 1jt6 h LYS 36 Ca -0.34 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.41 1jt6 h LYS 36 Cb 1.24 -0.24 -0.04 0.00 0.08 0.00 0.00 32.23 33.28 1jt6 h LYS 36 CO 0.48 0.71 0.26 0.78 -0.57 0.00 0.00 179.45 181.11 1jt6 h GLY 37 N 1.10 0.65 1.41 3.86 0.00 -1.99 0.18 103.07 108.29 1jt6 h GLY 37 Ca 0.46 -0.19 -0.15 0.00 0.00 0.00 0.00 47.33 47.46 1jt6 h GLY 37 CO -0.21 0.14 -0.45 -0.57 0.00 0.00 0.00 176.54 175.45 1jt6 h ASN 38 N 0.51 0.69 -0.44 0.19 -0.00 -1.81 -0.49 115.58 114.24 1jt6 h ASN 38 Ca 0.20 -0.33 -0.08 0.00 -0.00 0.00 0.00 56.30 56.08 1jt6 h ASN 38 Cb 0.06 -0.20 -0.01 0.00 -0.00 0.00 0.00 38.32 38.17 1jt6 h ASN 38 CO -0.11 1.04 -0.04 0.25 -0.00 0.00 0.00 177.43 178.57 1jt6 h LEU 39 N 0.52 0.80 -0.47 0.34 6.46 -0.77 -1.90 115.31 120.29 1jt6 h LEU 39 Ca 0.03 -0.33 0.01 0.00 -0.12 0.00 0.00 57.88 57.47 1jt6 h LEU 39 Cb 0.98 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.67 1jt6 h LEU 39 CO 0.09 0.94 0.31 0.22 -0.62 0.00 0.00 178.44 179.38 1jt6 h TYR 40 N 0.64 0.59 -0.68 1.25 3.20 -0.47 -0.57 116.97 120.93 1jt6 h TYR 40 Ca 0.12 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.04 1jt6 h TYR 40 Cb 0.55 -0.20 -0.05 0.00 1.54 0.00 0.00 36.73 38.58 1jt6 h TYR 40 CO 0.04 0.37 0.41 -0.92 -1.64 0.00 0.00 178.16 176.42 1jt6 h TYR 41 N 0.63 0.76 0.03 -3.82 3.20 -0.82 0.13 116.97 117.09 1jt6 h TYR 41 Ca 0.17 0.02 -0.27 0.00 3.14 0.00 0.00 58.73 61.80 1jt6 h TYR 41 Cb -0.06 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 37.93 1jt6 h TYR 41 CO -0.05 0.42 -1.40 0.45 -1.64 0.00 0.00 178.16 175.94 1jt6 h HIS 42 N 0.79 0.13 0.00 -3.82 3.86 -1.13 -3.42 115.15 111.56 1jt6 h HIS 42 Ca 0.28 -0.10 0.00 0.00 -1.16 0.00 0.00 60.37 59.40 1jt6 h HIS 42 Cb 0.07 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.53 1jt6 h HIS 42 CO -0.05 1.12 -0.55 1.19 0.86 0.00 0.00 177.93 180.49 1jt6 n PHE 43 N -3.27 0.00 0.00 2.45 3.01 -0.24 -5.02 117.46 114.38 1jt6 n PHE 43 Ca -0.11 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.35 1jt6 n PHE 43 Cb 1.01 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.48 1jt6 n PHE 43 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1jt6 n LYS 44 N -0.94 0.00 -4.14 -1.08 4.01 0.46 -4.41 118.16 112.07 1jt6 n LYS 44 Ca 0.00 0.00 -0.11 0.00 -0.51 0.00 0.00 58.31 57.69 1jt6 n LYS 44 Cb 0.00 0.00 -0.09 0.00 -0.51 0.00 0.00 35.03 34.43 1jt6 n LYS 44 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 1jt6 s THR 45 N 0.00 0.04 0.13 -0.18 -4.23 -1.26 -4.75 115.64 105.38 1jt6 s THR 45 Ca 0.00 -1.85 -0.20 0.00 -1.18 0.00 0.00 61.69 58.46 1jt6 s THR 45 Cb 0.00 -2.27 -0.01 0.00 1.34 0.00 0.00 72.50 71.56 1jt6 s THR 45 CO 0.00 -0.17 1.69 0.50 -0.54 0.00 0.00 174.62 176.11 1jt6 h LYS 46 N 2.65 -0.03 -0.96 3.99 3.64 -1.98 -0.08 116.57 123.80 1jt6 h LYS 46 Ca -0.34 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.14 1jt6 h LYS 46 Cb 1.23 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.99 1jt6 h LYS 46 CO 0.53 -0.02 0.62 0.93 -2.27 0.00 0.00 179.45 179.23 1jt6 h GLU 47 N -0.03 0.96 -0.36 1.90 3.07 -1.96 0.15 114.58 118.31 1jt6 h GLU 47 Ca 0.11 -0.06 -0.14 0.00 -0.50 0.00 0.00 59.36 58.76 1jt6 h GLU 47 Cb 0.19 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 27.87 1jt6 h GLU 47 CO -0.24 0.64 -0.35 -0.91 -1.40 0.00 0.00 179.01 176.75 1jt6 h ASN 48 N 0.99 0.88 0.10 1.42 4.21 -1.54 -1.06 115.58 120.59 1jt6 h ASN 48 Ca 0.45 -0.38 0.01 0.00 1.21 0.00 0.00 56.30 57.59 1jt6 h ASN 48 Cb 0.40 -0.25 -0.02 0.00 -1.12 0.00 0.00 38.32 37.33 1jt6 h ASN 48 CO -0.21 1.14 -0.14 0.25 -1.29 0.00 0.00 177.43 177.18 1jt6 h LEU 49 N 0.69 -0.37 -0.66 1.61 6.46 0.54 -0.23 115.31 123.35 1jt6 h LEU 49 Ca 0.07 0.04 0.04 0.00 -0.12 0.00 0.00 57.88 57.91 1jt6 h LEU 49 Cb 0.91 0.14 -0.05 0.00 -0.73 0.00 0.00 40.66 40.93 1jt6 h LEU 49 CO 0.08 -0.20 0.39 0.15 -0.62 0.00 0.00 178.44 178.24 1jt6 h PHE 50 N -0.28 0.72 -0.60 1.25 3.04 -0.90 -0.14 116.94 120.04 1jt6 h PHE 50 Ca 0.01 0.02 0.02 0.00 3.98 0.00 0.00 57.97 62.00 1jt6 h PHE 50 Cb 0.29 -0.23 -0.03 0.00 2.56 0.00 0.00 35.95 38.54 1jt6 h PHE 50 CO -0.14 0.38 0.40 -0.07 -2.02 0.00 0.00 178.31 176.85 1jt6 h LEU 51 N 0.74 0.66 -0.63 0.59 3.38 -0.68 0.06 115.31 119.43 1jt6 h LEU 51 Ca 0.28 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 58.11 1jt6 h LEU 51 Cb 0.11 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1jt6 h LEU 51 CO -0.14 0.47 -0.26 -0.08 0.09 0.00 0.00 178.44 178.51 1jt6 h GLU 52 N 0.77 0.79 -0.45 1.13 4.57 0.67 -1.44 114.58 120.61 1jt6 h GLU 52 Ca 0.23 -0.34 -0.01 0.00 -1.18 0.00 0.00 59.36 58.06 1jt6 h GLU 52 Cb -0.03 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.52 1jt6 h GLU 52 CO -0.05 0.96 0.24 0.82 -1.18 0.00 0.00 179.01 179.80 1jt6 h ILE 53 N 0.68 1.17 -0.73 2.32 2.04 -0.31 -1.99 117.51 120.68 1jt6 h ILE 53 Ca 0.08 -0.44 0.01 0.00 1.00 0.00 0.00 64.86 65.52 1jt6 h ILE 53 Cb 0.79 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 1jt6 h ILE 53 CO 0.07 0.18 0.49 -0.07 0.00 0.00 0.00 178.15 178.81 1jt6 h LEU 54 N 0.60 0.83 -0.23 1.44 4.07 -0.49 -0.19 115.31 121.34 1jt6 h LEU 54 Ca 0.16 -0.02 0.02 0.00 0.08 0.00 0.00 57.88 58.12 1jt6 h LEU 54 Cb 0.07 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 41.58 1jt6 h LEU 54 CO -0.02 0.60 0.08 0.78 -1.08 0.00 0.00 178.44 178.79 1jt6 h ASN 55 N 0.98 0.09 -0.51 -0.43 4.21 -0.80 0.28 115.58 119.41 1jt6 h ASN 55 Ca 0.27 0.02 -0.04 0.00 1.21 0.00 0.00 56.30 57.76 1jt6 h ASN 55 Cb -0.10 0.01 -0.02 0.00 -1.12 0.00 0.00 38.32 37.09 1jt6 h ASN 55 CO -0.06 0.08 0.16 0.40 -1.29 0.00 0.00 177.43 176.72 1jt6 h ILE 56 N 0.18 1.23 -0.78 2.81 2.04 -0.63 -1.41 117.51 120.95 1jt6 h ILE 56 Ca 0.10 -0.78 0.03 0.00 1.00 0.00 0.00 64.86 65.21 1jt6 h ILE 56 Cb 0.07 0.78 -0.05 0.00 -0.74 0.00 0.00 36.82 36.88 1jt6 h ILE 56 CO -0.10 0.29 0.50 -0.33 0.00 0.00 0.00 178.15 178.50 1jt6 h GLU 57 N 0.69 0.94 -0.74 2.37 4.39 -0.50 0.33 114.58 122.07 1jt6 h GLU 57 Ca 0.16 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.77 1jt6 h GLU 57 Cb 0.28 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.68 1jt6 h GLU 57 CO -0.00 0.63 0.33 1.49 -1.16 0.00 0.00 179.01 180.29 1jt6 h GLU 58 N 0.97 1.09 -0.68 2.33 4.57 -0.09 -0.71 114.58 122.06 1jt6 h GLU 58 Ca 0.31 -0.18 -0.05 0.00 -1.18 0.00 0.00 59.36 58.26 1jt6 h GLU 58 Cb -0.00 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 28.37 1jt6 h GLU 58 CO -0.11 0.87 0.24 0.77 -1.18 0.00 0.00 179.01 179.60 1jt6 h SER 59 N 1.05 0.97 -0.30 1.04 0.02 -0.39 0.66 113.55 116.60 1jt6 h SER 59 Ca 0.25 -0.19 -0.07 0.00 -0.84 0.00 0.00 61.79 60.94 1jt6 h SER 59 Cb 0.16 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 1jt6 h SER 59 CO -0.03 0.90 -0.03 0.11 -1.14 0.00 0.00 176.83 176.65 1jt6 h LYS 60 N 0.98 0.66 -0.59 3.45 1.79 -0.53 -1.02 116.57 121.30 1jt6 h LYS 60 Ca 0.22 -0.17 -0.09 0.00 -2.18 0.00 0.00 60.65 58.43 1jt6 h LYS 60 Cb 0.26 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.81 1jt6 h LYS 60 CO -0.01 0.70 0.01 2.35 -1.08 0.00 0.00 179.45 181.42 1jt6 h TRP 61 N 0.62 1.13 -0.43 -1.35 2.91 -0.51 0.32 115.95 118.64 1jt6 h TRP 61 Ca 0.12 -0.19 -0.03 0.00 1.13 0.00 0.00 58.89 59.92 1jt6 h TRP 61 Cb 0.43 -0.30 -0.02 0.00 -0.51 0.00 0.00 29.16 28.76 1jt6 h TRP 61 CO 0.02 0.99 0.14 1.96 -1.03 0.00 0.00 178.44 180.52 1jt6 h GLN 62 N 0.93 0.66 -0.75 2.65 4.20 -0.47 -0.07 115.11 122.25 1jt6 h GLN 62 Ca 0.17 -0.14 0.03 0.00 0.06 0.00 0.00 58.65 58.77 1jt6 h GLN 62 Cb 0.54 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.18 1jt6 h GLN 62 CO 0.03 0.64 0.48 1.49 -0.67 0.00 0.00 178.83 180.80 1jt6 h GLU 63 N 0.55 0.92 -0.72 1.46 4.22 -0.95 0.20 114.58 120.27 1jt6 h GLU 63 Ca 0.14 -0.06 -0.05 0.00 0.08 0.00 0.00 59.36 59.48 1jt6 h GLU 63 Cb 0.25 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 1jt6 h GLU 63 CO -0.01 0.61 0.27 1.96 -2.18 0.00 0.00 179.01 179.67 1jt6 h GLN 64 N 0.95 1.09 -0.49 1.92 4.20 -0.61 -2.51 115.11 119.67 1jt6 h GLN 64 Ca 0.30 -0.21 -0.12 0.00 0.06 0.00 0.00 58.65 58.68 1jt6 h GLN 64 Cb -0.01 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 1jt6 h GLN 64 CO -0.10 0.91 -0.16 2.35 -0.67 0.00 0.00 178.83 181.16 1jt6 h TRP 65 N 1.05 1.10 -0.73 2.96 -0.00 0.23 -0.13 115.95 120.42 1jt6 h TRP 65 Ca 0.24 -0.25 0.11 0.00 -0.00 0.00 0.00 58.89 58.99 1jt6 h TRP 65 Cb 0.24 -0.26 -0.05 0.00 -0.00 0.00 0.00 29.16 29.08 1jt6 h TRP 65 CO 0.02 1.06 0.48 -0.22 -0.00 0.00 0.00 178.44 179.78 1jt6 h LYS 66 N 0.83 0.55 0.00 2.65 3.64 -0.41 0.11 116.57 123.94 1jt6 h LYS 66 Ca 0.12 -0.03 -0.22 0.00 -1.27 0.00 0.00 60.65 59.25 1jt6 h LYS 66 Cb 0.73 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.39 1jt6 h LYS 66 CO 0.06 0.36 -1.18 -0.22 -2.27 0.00 0.00 179.45 176.19 1jt6 h LYS 67 N 0.56 0.00 0.24 1.90 3.64 -1.01 -3.38 116.57 118.52 1jt6 h LYS 67 Ca 0.35 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.39 1jt6 h LYS 67 Cb 0.58 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 32.43 1jt6 h LYS 67 CO -0.12 0.74 -1.53 1.49 -2.27 0.00 0.00 179.45 177.76 1jt6 h GLU 68 N 0.00 0.51 -0.02 1.90 4.57 0.37 -3.34 114.58 118.56 1jt6 h GLU 68 Ca -0.10 -0.87 0.00 0.00 -1.18 0.00 0.00 59.36 57.21 1jt6 h GLU 68 Cb 1.79 0.32 -0.00 0.00 -0.16 0.00 0.00 28.75 30.70 1jt6 h GLU 68 CO 0.10 1.42 0.05 -0.56 -1.18 0.00 0.00 179.01 178.84 1jt6 h GLN 69 N 0.13 0.00 0.00 1.92 3.07 -1.01 -1.13 115.11 118.08 1jt6 h GLN 69 Ca -0.28 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.46 1jt6 h GLN 69 Cb 2.15 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 29.71 1jt6 h GLN 69 CO 0.25 0.00 -0.01 0.82 0.09 0.00 0.00 178.83 179.98 1jt6 h ILE 70 N 0.00 0.28 0.00 1.86 2.04 -1.76 0.29 117.51 120.22 1jt6 h ILE 70 Ca 0.01 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1jt6 h ILE 70 Cb 0.12 1.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 1jt6 h ILE 70 CO -0.00 0.01 0.00 0.11 0.00 0.00 0.00 178.15 178.27 1jt6 h LYS 71 N 0.00 0.00 -4.51 2.37 1.57 -1.46 -3.39 116.57 111.15 1jt6 h LYS 71 Ca -0.00 0.00 -0.71 0.00 -1.87 0.00 0.00 60.65 58.07 1jt6 h LYS 71 Cb 0.04 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 32.04 1jt6 h LYS 71 CO 0.00 0.00 -0.52 0.00 -0.57 0.00 0.00 179.45 178.36 1jt6 s ALA 72 N -3.36 3.19 0.09 3.86 0.00 0.10 -5.00 121.76 120.63 1jt6 s ALA 72 Ca 0.04 -2.20 -0.36 0.00 0.00 0.00 0.00 51.96 49.45 1jt6 s ALA 72 Cb 0.09 -2.49 -0.17 0.00 0.00 0.00 0.00 23.12 20.56 1jt6 s ALA 72 CO 0.46 -1.64 1.56 -0.22 0.00 0.00 0.00 175.76 175.92 1jt6 h LYS 73 N 8.25 -0.96 -6.60 0.00 3.64 -1.80 -3.42 116.57 115.68 1jt6 h LYS 73 Ca -0.20 0.07 -0.47 0.00 -1.27 0.00 0.00 60.65 58.78 1jt6 h LYS 73 Cb 1.07 0.22 0.02 0.00 -0.41 0.00 0.00 32.23 33.13 1jt6 h LYS 73 CO 0.71 -0.64 -0.14 0.95 -2.27 0.00 0.00 179.45 178.06 1jt6 s THR 74 N -5.84 4.75 0.30 1.00 -4.23 -1.26 -4.98 115.64 105.37 1jt6 s THR 74 Ca -0.18 -0.43 0.12 0.00 -1.18 0.00 0.00 61.69 60.03 1jt6 s THR 74 Cb 0.04 -3.74 0.04 0.00 1.34 0.00 0.00 72.50 70.18 1jt6 s THR 74 CO 0.60 -0.51 1.70 0.78 -0.54 0.00 0.00 174.62 176.66 1jt6 h ASN 75 N 0.61 0.00 -0.82 3.99 2.35 -1.91 -1.24 115.58 118.57 1jt6 h ASN 75 Ca -0.48 0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.32 1jt6 h ASN 75 Cb 1.23 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.55 1jt6 h ASN 75 CO 0.60 0.50 0.54 -0.09 -1.65 0.00 0.00 177.43 177.33 1jt6 h ARG 76 N 0.00 0.91 -0.18 0.81 2.43 -1.95 -0.80 114.38 115.60 1jt6 h ARG 76 Ca -0.01 -0.05 -0.14 0.00 -0.81 0.00 0.00 59.98 58.97 1jt6 h ARG 76 Cb 0.92 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 1jt6 h ARG 76 CO 0.07 0.60 -0.43 0.93 -1.51 0.00 0.00 179.97 179.63 1jt6 h GLU 77 N 0.94 0.62 -0.72 0.20 5.08 -1.62 -2.66 114.58 116.42 1jt6 h GLU 77 Ca 0.34 -0.42 0.06 0.00 -1.00 0.00 0.00 59.36 58.34 1jt6 h GLU 77 Cb 0.16 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.41 1jt6 h GLU 77 CO -0.11 1.04 0.42 0.87 -1.00 0.00 0.00 179.01 180.22 1jt6 h LYS 78 N 0.29 0.75 -0.21 2.33 1.57 -0.87 -0.81 116.57 119.62 1jt6 h LYS 78 Ca -0.00 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1jt6 h LYS 78 Cb 1.04 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.17 1jt6 h LYS 78 CO 0.09 0.50 0.12 0.35 -0.57 0.00 0.00 179.45 179.94 1jt6 h PHE 79 N 0.77 0.28 -0.26 -1.35 3.57 -1.08 0.45 116.94 119.31 1jt6 h PHE 79 Ca 0.32 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.85 1jt6 h PHE 79 Cb 0.17 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 1jt6 h PHE 79 CO -0.06 0.23 0.04 1.88 -2.23 0.00 0.00 178.31 178.16 1jt6 h TYR 80 N 0.24 0.07 -0.57 0.41 0.05 -1.09 -2.33 116.97 113.76 1jt6 h TYR 80 Ca 0.07 0.02 -0.08 0.00 0.05 0.00 0.00 58.73 58.79 1jt6 h TYR 80 Cb 0.03 0.01 -0.02 0.00 1.01 0.00 0.00 36.73 37.76 1jt6 h TYR 80 CO -0.05 0.01 0.04 1.25 -1.05 0.00 0.00 178.16 178.36 1jt6 h LEU 81 N 0.13 0.95 -0.64 3.88 5.85 -0.84 -1.65 115.31 122.99 1jt6 h LEU 81 Ca 0.12 -0.29 -0.11 0.00 0.84 0.00 0.00 57.88 58.44 1jt6 h LEU 81 Cb 0.13 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 1jt6 h LEU 81 CO -0.17 1.00 -0.10 0.22 -0.34 0.00 0.00 178.44 179.06 1jt6 h TYR 82 N 0.86 1.06 -0.46 1.25 3.20 -0.02 -0.43 116.97 122.43 1jt6 h TYR 82 Ca 0.16 -0.21 -0.09 0.00 3.14 0.00 0.00 58.73 61.73 1jt6 h TYR 82 Cb 0.49 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 1jt6 h TYR 82 CO 0.04 0.99 -0.08 -0.91 -1.64 0.00 0.00 178.16 176.56 1jt6 h ASN 83 N 0.86 0.81 -0.30 -2.11 -0.26 -1.28 -1.30 115.58 111.99 1jt6 h ASN 83 Ca 0.14 -0.23 -0.13 0.00 -0.56 0.00 0.00 56.30 55.51 1jt6 h ASN 83 Cb 0.64 -0.22 -0.00 0.00 -1.06 0.00 0.00 38.32 37.68 1jt6 h ASN 83 CO 0.04 0.92 -0.34 -0.08 -1.06 0.00 0.00 177.43 176.92 1jt6 h GLU 84 N 0.75 0.76 -0.95 0.81 4.81 -1.05 -2.81 114.58 116.91 1jt6 h GLU 84 Ca 0.13 -0.42 0.01 0.00 -0.13 0.00 0.00 59.36 58.95 1jt6 h GLU 84 Cb 0.56 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.92 1jt6 h GLU 84 CO 0.03 1.04 0.63 -0.07 -0.73 0.00 0.00 179.01 179.91 1jt6 h LEU 85 N 0.52 1.10 -0.85 1.64 4.07 -0.91 0.11 115.31 121.00 1jt6 h LEU 85 Ca 0.04 -0.03 -0.06 0.00 0.08 0.00 0.00 57.88 57.92 1jt6 h LEU 85 Cb 0.92 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 42.35 1jt6 h LEU 85 CO 0.08 0.80 0.21 0.28 -1.08 0.00 0.00 178.44 178.73 1jt6 h SER 86 N 1.29 0.99 0.35 -0.43 0.02 -1.18 -0.44 113.55 114.16 1jt6 h SER 86 Ca 0.35 -0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 61.10 1jt6 h SER 86 Cb -0.14 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.14 1jt6 h SER 86 CO -0.07 0.93 -0.17 0.25 -1.14 0.00 0.00 176.83 176.63 1jt6 h LEU 87 N 1.02 -0.40 -0.14 5.07 6.46 -1.09 -3.12 115.31 123.11 1jt6 h LEU 87 Ca 0.22 -0.13 -0.02 0.00 -0.12 0.00 0.00 57.88 57.83 1jt6 h LEU 87 Cb 0.30 0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.33 1jt6 h LEU 87 CO -0.01 0.05 0.01 0.71 -0.62 0.00 0.00 178.44 178.59 1jt6 h THR 88 N -1.00 1.24 0.00 1.05 1.35 -0.79 -2.92 112.91 111.84 1jt6 h THR 88 Ca -0.05 -0.76 -0.01 0.00 -0.55 0.00 0.00 66.41 65.04 1jt6 h THR 88 Cb 0.51 1.47 -0.00 0.00 -1.73 0.00 0.00 68.15 68.40 1jt6 h THR 88 CO 0.08 0.22 -0.04 0.71 -0.25 0.00 0.00 175.52 176.24 1jt6 h THR 89 N -0.00 0.29 0.00 6.82 1.35 -1.24 -2.34 112.91 117.79 1jt6 h THR 89 Ca 0.04 -0.27 -0.05 0.00 -0.55 0.00 0.00 66.41 65.58 1jt6 h THR 89 Cb 0.33 1.20 -0.01 0.00 -1.73 0.00 0.00 68.15 67.95 1jt6 h THR 89 CO 0.00 0.04 -0.22 1.05 -0.25 0.00 0.00 175.52 176.15 1jt6 h GLU 90 N 0.00 0.00 -0.80 4.72 -0.00 -1.44 -3.07 114.58 113.99 1jt6 h GLU 90 Ca -0.00 0.00 0.07 0.00 -0.00 0.00 0.00 59.36 59.43 1jt6 h GLU 90 Cb 0.20 0.00 -0.05 0.00 -0.00 0.00 0.00 28.75 28.90 1jt6 h GLU 90 CO 0.01 0.22 0.52 1.88 -0.00 0.00 0.00 179.01 181.64 1jt6 h TYR 91 N 0.00 0.85 -0.58 2.06 -1.99 -1.43 -3.04 116.97 112.84 1jt6 h TYR 91 Ca -0.00 0.02 -0.42 0.00 2.00 0.00 0.00 58.73 60.33 1jt6 h TYR 91 Cb 0.84 -0.28 -0.36 0.00 2.00 0.00 0.00 36.73 38.93 1jt6 h TYR 91 CO 0.00 0.43 -0.82 2.48 -0.00 0.00 0.00 178.16 180.26 1jt6 n TYR 92 N -4.49 2.07 -3.25 4.88 0.18 -1.17 -4.96 117.16 110.42 1jt6 n TYR 92 Ca 0.12 -2.05 -0.45 0.00 1.88 0.00 0.00 57.90 57.40 1jt6 n TYR 92 Cb 0.25 -0.31 -0.06 0.00 -0.38 0.00 0.00 39.34 38.84 1jt6 n TYR 92 CO 0.00 0.00 0.00 -0.47 -2.08 0.00 0.00 176.86 174.31 1jt6 s TYR 93 N -3.47 3.14 0.53 -3.48 6.04 -1.15 -4.96 117.35 114.00 1jt6 s TYR 93 Ca 0.46 -0.89 0.23 0.00 0.04 0.00 0.00 57.07 56.91 1jt6 s TYR 93 Cb 0.39 -3.56 1.39 0.00 -1.04 0.00 0.00 41.96 39.15 1jt6 s TYR 93 CO 0.01 -1.00 2.05 -1.35 -1.54 0.00 0.00 175.55 173.71 1jt6 h PRO 94 N 8.93 0.00 0.00 4.97 0.11 -1.93 -2.08 132.00 142.01 1jt6 h PRO 94 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1jt6 h PRO 94 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1jt6 h PRO 94 CO 0.98 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 178.70 1jt6 h LEU 95 N 0.00 0.00 -0.88 2.35 3.38 -1.95 -3.30 115.31 114.90 1jt6 h LEU 95 Ca 0.16 0.00 0.23 0.00 0.09 0.00 0.00 57.88 58.36 1jt6 h LEU 95 Cb 0.67 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.29 1jt6 h LEU 95 CO -0.00 0.00 0.29 -0.61 0.09 0.00 0.00 178.44 178.21 1jt6 h GLN 96 N 0.00 0.26 -0.08 1.13 5.75 -1.75 0.16 115.11 120.58 1jt6 h GLN 96 Ca 0.00 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1jt6 h GLN 96 Cb 0.60 -0.06 -0.00 0.00 1.07 0.00 0.00 27.48 29.09 1jt6 h GLN 96 CO 0.00 0.17 0.05 -0.91 -2.65 0.00 0.00 178.83 175.49 1jt6 h ASN 97 N 0.27 0.09 -0.61 -0.69 2.35 -1.79 -0.11 115.58 115.09 1jt6 h ASN 97 Ca 0.56 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 56.23 1jt6 h ASN 97 Cb 1.11 -0.02 -0.03 0.00 0.05 0.00 0.00 38.32 39.43 1jt6 h ASN 97 CO -0.61 0.12 0.30 0.00 -1.65 0.00 0.00 177.43 175.58 1jt6 h ALA 98 N 0.98 1.32 -0.11 -0.83 0.00 -1.34 -1.66 119.26 117.62 1jt6 h ALA 98 Ca 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1jt6 h ALA 98 Cb 0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1jt6 h ALA 98 CO -0.01 0.52 0.07 0.82 0.00 0.00 0.00 179.25 180.66 1jt6 h ILE 99 N 0.91 1.03 -0.26 0.00 2.04 -0.21 0.12 117.51 121.13 1jt6 h ILE 99 Ca 0.22 -0.05 0.04 0.00 1.00 0.00 0.00 64.86 66.07 1jt6 h ILE 99 Cb 0.11 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 1jt6 h ILE 99 CO -0.03 0.03 0.03 0.40 0.00 0.00 0.00 178.15 178.58 1jt6 h ILE 100 N 0.14 0.84 -0.86 -0.67 1.08 -0.67 -0.07 117.51 117.30 1jt6 h ILE 100 Ca 0.04 -0.04 0.03 0.00 -0.39 0.00 0.00 64.86 64.50 1jt6 h ILE 100 Cb -0.01 0.72 -0.05 0.00 -3.07 0.00 0.00 36.82 34.40 1jt6 h ILE 100 CO -0.01 0.02 0.56 -0.08 -0.69 0.00 0.00 178.15 177.95 1jt6 h GLU 101 N 0.12 1.07 -0.10 2.37 4.81 -1.05 -1.57 114.58 120.22 1jt6 h GLU 101 Ca 0.12 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.20 1jt6 h GLU 101 Cb 0.14 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.29 1jt6 h GLU 101 CO -0.19 0.71 -0.30 0.35 -0.73 0.00 0.00 179.01 178.85 1jt6 h PHE 102 N 1.10 0.50 0.36 0.92 3.04 -0.20 -3.35 116.94 119.30 1jt6 h PHE 102 Ca 0.34 -0.20 -0.02 0.00 3.98 0.00 0.00 57.97 62.07 1jt6 h PHE 102 Cb -0.02 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 38.41 1jt6 h PHE 102 CO -0.02 0.92 -0.17 -0.92 -2.02 0.00 0.00 178.31 176.10 1jt6 h TYR 103 N -0.06 -0.44 0.00 0.41 3.20 -0.90 -2.47 116.97 116.71 1jt6 h TYR 103 Ca -0.01 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.74 1jt6 h TYR 103 Cb 0.92 0.15 -0.03 0.00 1.54 0.00 0.00 36.73 39.31 1jt6 h TYR 103 CO 0.11 -0.14 0.20 0.25 -1.64 0.00 0.00 178.16 176.94 1jt6 n THR 104 N -5.19 1.55 -0.27 1.81 -2.24 -0.60 -0.94 114.28 108.40 1jt6 n THR 104 Ca -0.10 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 60.89 1jt6 n THR 104 Cb 0.27 -1.77 0.00 0.00 -2.10 0.00 0.00 70.33 66.72 1jt6 n THR 104 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1jt6 n GLU 105 N 2.84 0.00 0.00 -0.78 0.00 -1.19 -4.94 120.64 116.58 1jt6 n GLU 105 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.39 1jt6 n GLU 105 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.88 1jt6 n GLU 105 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1jt6 n TYR 106 N 0.00 0.00 0.76 4.31 4.01 -0.11 -4.77 117.16 121.36 1jt6 n TYR 106 Ca 0.00 -0.03 0.08 0.00 -0.16 0.00 0.00 57.90 57.79 1jt6 n TYR 106 Cb 0.02 -0.00 0.41 0.00 -0.31 0.00 0.00 39.34 39.45 1jt6 n TYR 106 CO 0.00 0.00 0.00 2.48 -0.46 0.00 0.00 176.86 178.88 1jt6 n TYR 107 N -0.03 0.00 0.08 -0.72 -0.00 -0.90 -2.41 117.16 113.17 1jt6 n TYR 107 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.80 1jt6 n TYR 107 Cb 0.26 -0.29 -0.08 0.00 -0.00 0.00 0.00 39.34 39.23 1jt6 n TYR 107 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.86 177.73 1jt6 h LYS 108 N 0.00 0.13 -6.66 -3.48 1.57 -1.87 -3.44 116.57 102.81 1jt6 h LYS 108 Ca 0.00 -0.19 -0.50 0.00 -1.87 0.00 0.00 60.65 58.08 1jt6 h LYS 108 Cb 0.16 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 1jt6 h LYS 108 CO 0.00 1.03 0.31 0.99 -0.57 0.00 0.00 179.45 181.21 1jt6 s THR 109 N -2.87 4.21 -0.01 -0.16 2.01 -1.01 -4.95 115.64 112.86 1jt6 s THR 109 Ca -0.02 1.99 0.11 0.00 0.31 0.00 0.00 61.69 64.08 1jt6 s THR 109 Cb 0.09 -4.28 -0.09 0.00 0.01 0.00 0.00 72.50 68.23 1jt6 s THR 109 CO 0.84 0.48 1.33 0.78 -0.69 0.00 0.00 174.62 177.36 1jt6 h ASN 110 N 4.41 0.00 0.50 3.53 2.35 -1.87 -0.76 115.58 123.74 1jt6 h ASN 110 Ca -0.45 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.28 1jt6 h ASN 110 Cb 1.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.57 1jt6 h ASN 110 CO 0.68 0.77 -0.27 -1.28 -1.65 0.00 0.00 177.43 175.68 1jt6 h SER 111 N 0.00 -0.66 0.09 5.81 0.87 -1.94 -1.24 113.55 116.47 1jt6 h SER 111 Ca -0.02 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1jt6 h SER 111 Cb 1.60 0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.75 1jt6 h SER 111 CO 0.10 -0.45 -0.04 0.40 -0.53 0.00 0.00 176.83 176.31 1jt6 h ILE 112 N -0.72 1.14 -0.00 2.23 5.03 -1.85 -3.02 117.51 120.32 1jt6 h ILE 112 Ca -0.06 -0.96 0.00 0.00 -0.12 0.00 0.00 64.86 63.72 1jt6 h ILE 112 Cb 0.57 1.75 -0.00 0.00 -3.03 0.00 0.00 36.82 36.11 1jt6 h ILE 112 CO 0.09 0.23 0.01 -1.13 -0.68 0.00 0.00 178.15 176.67 1jt6 h ASN 113 N -0.57 0.00 0.11 1.72 -0.00 -1.19 -0.75 115.58 114.90 1jt6 h ASN 113 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.28 1jt6 h ASN 113 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.79 1jt6 h ASN 113 CO 0.02 0.00 -0.05 -0.08 -0.00 0.00 0.00 177.43 177.32 1jt6 h GLU 114 N 0.00 -0.14 -0.32 6.67 4.22 -1.13 -2.75 114.58 121.13 1jt6 h GLU 114 Ca 0.00 0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.44 1jt6 h GLU 114 Cb 0.02 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1jt6 h GLU 114 CO -0.00 0.33 0.17 0.87 -2.18 0.00 0.00 179.01 178.20 1jt6 h LYS 115 N -0.69 0.43 -0.23 1.92 1.57 -1.22 -1.45 116.57 116.90 1jt6 h LYS 115 Ca -0.01 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.62 1jt6 h LYS 115 Cb 0.53 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1jt6 h LYS 115 CO 0.02 0.33 -0.31 0.52 -0.57 0.00 0.00 179.45 179.45 1jt6 h MET 116 N 0.44 0.48 -0.15 3.15 2.86 -1.18 -2.52 114.93 118.00 1jt6 h MET 116 Ca 0.11 -0.20 -0.07 0.00 -2.06 0.00 0.00 59.70 57.49 1jt6 h MET 116 Cb 0.03 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 1jt6 h MET 116 CO -0.02 0.73 -0.20 -0.91 1.06 0.00 0.00 176.91 177.57 1jt6 h ASN 117 N 0.41 0.25 -0.62 1.22 4.21 -0.96 0.17 115.58 120.28 1jt6 h ASN 117 Ca 0.05 -0.07 -0.06 0.00 1.21 0.00 0.00 56.30 57.44 1jt6 h ASN 117 Cb 0.74 -0.07 -0.03 0.00 -1.12 0.00 0.00 38.32 37.85 1jt6 h ASN 117 CO 0.06 0.47 0.16 0.11 -1.29 0.00 0.00 177.43 176.95 1jt6 h LYS 118 N 0.24 0.98 0.07 0.81 6.56 -1.15 0.28 116.57 124.36 1jt6 h LYS 118 Ca 0.04 -0.23 -0.00 0.00 -1.06 0.00 0.00 60.65 59.40 1jt6 h LYS 118 Cb 0.50 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 32.03 1jt6 h LYS 118 CO 0.03 0.88 -0.03 -0.07 -2.06 0.00 0.00 179.45 178.20 1jt6 h LEU 119 N 0.89 -0.08 -0.65 2.94 4.07 -1.15 -1.58 115.31 119.75 1jt6 h LEU 119 Ca 0.19 -0.07 0.04 0.00 0.08 0.00 0.00 57.88 58.12 1jt6 h LEU 119 Cb 0.33 0.02 -0.04 0.00 1.08 0.00 0.00 40.66 42.05 1jt6 h LEU 119 CO -0.00 0.02 0.39 -0.08 -1.08 0.00 0.00 178.44 177.69 1jt6 h GLU 120 N -0.17 0.74 -0.82 1.13 4.57 -0.74 -0.77 114.58 118.51 1jt6 h GLU 120 Ca -0.01 -0.04 0.05 0.00 -1.18 0.00 0.00 59.36 58.18 1jt6 h GLU 120 Cb 0.15 -0.17 -0.05 0.00 -0.16 0.00 0.00 28.75 28.52 1jt6 h GLU 120 CO 0.02 0.49 0.54 -0.91 -1.18 0.00 0.00 179.01 177.96 1jt6 h ASN 121 N 0.76 0.83 -0.27 1.04 -0.26 -0.14 0.03 115.58 117.56 1jt6 h ASN 121 Ca 0.27 -0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.96 1jt6 h ASN 121 Cb 0.06 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 37.12 1jt6 h ASN 121 CO -0.12 0.55 0.05 0.11 -1.06 0.00 0.00 177.43 176.95 1jt6 h LYS 122 N 0.95 0.55 -0.45 0.81 1.57 -0.14 -0.93 116.57 118.93 1jt6 h LYS 122 Ca 0.34 -0.10 -0.13 0.00 -1.87 0.00 0.00 60.65 58.88 1jt6 h LYS 122 Cb 0.14 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1jt6 h LYS 122 CO -0.11 0.54 -0.24 -0.92 -0.57 0.00 0.00 179.45 178.15 1jt6 h TYR 123 N 0.54 1.11 -0.15 -1.35 3.20 -0.67 -2.84 116.97 116.79 1jt6 h TYR 123 Ca 0.12 -0.28 -0.06 0.00 3.14 0.00 0.00 58.73 61.65 1jt6 h TYR 123 Cb 0.27 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 1jt6 h TYR 123 CO 0.01 1.10 -0.15 0.82 -1.64 0.00 0.00 178.16 178.29 1jt6 h ILE 124 N 0.80 1.19 -0.90 1.81 2.04 -0.56 -3.03 117.51 118.86 1jt6 h ILE 124 Ca 0.10 -0.86 0.15 0.00 1.00 0.00 0.00 64.86 65.25 1jt6 h ILE 124 Cb 0.81 1.25 -0.07 0.00 -0.74 0.00 0.00 36.82 38.07 1jt6 h ILE 124 CO 0.07 0.27 0.58 0.44 0.00 0.00 0.00 178.15 179.51 1jt6 h ASP 125 N 0.23 0.66 -0.40 1.72 3.45 -0.93 -0.36 116.42 120.79 1jt6 h ASP 125 Ca 0.05 0.04 0.08 0.00 0.43 0.00 0.00 57.03 57.63 1jt6 h ASP 125 Cb 0.42 -0.08 -0.02 0.00 -0.56 0.00 0.00 39.33 39.08 1jt6 h ASP 125 CO 0.03 0.32 0.28 0.00 -1.57 0.00 0.00 179.24 178.29 1jt6 h ALA 126 N 1.60 2.12 -0.01 3.45 0.00 -1.62 0.10 119.26 124.90 1jt6 h ALA 126 Ca 0.46 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 55.16 1jt6 h ALA 126 Cb 0.75 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1jt6 h ALA 126 CO -0.22 -0.21 -0.85 1.88 0.00 0.00 0.00 179.25 179.85 1jt6 h TYR 127 N 0.20 0.34 -0.05 0.00 0.05 -1.25 -2.40 116.97 113.85 1jt6 h TYR 127 Ca 0.18 -0.18 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 1jt6 h TYR 127 Cb 0.47 -0.04 -0.00 0.00 1.01 0.00 0.00 36.73 38.16 1jt6 h TYR 127 CO -0.00 0.98 0.02 1.25 -1.05 0.00 0.00 178.16 179.36 1jt6 h HIS 128 N 0.14 0.08 -0.10 4.88 2.76 -0.55 -0.01 115.15 122.36 1jt6 h HIS 128 Ca -0.04 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.13 1jt6 h HIS 128 Cb 1.47 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 30.39 1jt6 h HIS 128 CO 0.03 0.22 0.00 0.28 -1.30 0.00 0.00 177.93 177.16 1jt6 h VAL 129 N -0.08 0.94 -0.96 5.26 2.07 -1.00 0.39 116.25 122.86 1jt6 h VAL 129 Ca 0.02 -0.01 0.08 0.00 0.82 0.00 0.00 66.70 67.60 1jt6 h VAL 129 Cb 0.17 0.90 -0.07 0.00 -1.52 0.00 0.00 31.29 30.77 1jt6 h VAL 129 CO -0.00 0.01 0.62 0.40 0.02 0.00 0.00 177.57 178.62 1jt6 h ILE 130 N 0.04 1.05 -0.04 4.57 2.04 -1.29 -0.01 117.51 123.87 1jt6 h ILE 130 Ca 0.04 -0.37 -0.25 0.00 1.00 0.00 0.00 64.86 65.28 1jt6 h ILE 130 Cb 0.05 -0.13 0.02 0.00 -0.74 0.00 0.00 36.82 36.02 1jt6 h ILE 130 CO -0.07 0.20 -0.97 -0.26 0.00 0.00 0.00 178.15 177.04 1jt6 h PHE 131 N 1.08 1.02 0.08 1.37 0.04 -0.43 -1.42 116.94 118.69 1jt6 h PHE 131 Ca 0.43 -0.53 -0.00 0.00 2.80 0.00 0.00 57.97 60.66 1jt6 h PHE 131 Cb 0.25 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.27 1jt6 h PHE 131 CO -0.00 1.36 -0.04 -0.22 -0.60 0.00 0.00 178.31 178.81 1jt6 h LYS 132 N 0.42 -0.10 -0.51 1.51 3.64 -0.74 -2.33 116.57 118.46 1jt6 h LYS 132 Ca -0.11 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.34 1jt6 h LYS 132 Cb 1.62 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.43 1jt6 h LYS 132 CO 0.19 0.24 0.34 0.93 -2.27 0.00 0.00 179.45 178.88 1jt6 h GLU 133 N -0.46 0.41 0.00 1.90 4.39 -1.06 0.52 114.58 120.28 1jt6 h GLU 133 Ca -0.01 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.63 1jt6 h GLU 133 Cb 0.39 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 1jt6 h GLU 133 CO 0.02 0.27 -0.17 0.78 -1.16 0.00 0.00 179.01 178.74 1jt6 h GLY 134 N 0.42 0.00 0.39 -3.84 0.00 -1.08 -2.83 103.07 96.13 1jt6 h GLY 134 Ca 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.53 1jt6 h GLY 134 CO -0.06 0.00 -0.16 3.43 0.00 0.00 0.00 176.54 179.75 1jt6 h ASN 135 N 0.00 -0.38 0.00 0.19 -0.26 -0.35 0.25 115.58 115.02 1jt6 h ASN 135 Ca -0.00 -0.07 0.00 0.00 -0.56 0.00 0.00 56.30 55.67 1jt6 h ASN 135 Cb 0.78 0.10 0.00 0.00 -1.06 0.00 0.00 38.32 38.14 1jt6 h ASN 135 CO 0.02 0.08 0.05 0.18 -1.06 0.00 0.00 177.43 176.69 1jt6 n LEU 136 N -5.08 0.00 -0.17 1.61 4.32 -0.90 -0.46 117.00 116.32 1jt6 n LEU 136 Ca -0.07 0.25 0.02 0.00 -0.02 0.00 0.00 56.01 56.19 1jt6 n LEU 136 Cb 0.22 -0.25 0.02 0.00 -1.62 0.00 0.00 43.42 41.79 1jt6 n LEU 136 CO 0.18 -0.25 0.30 0.59 -1.22 0.00 0.00 177.39 176.99 1jt6 n ASN 137 N -1.22 1.30 -0.49 -1.43 4.13 -1.07 -4.99 115.26 111.48 1jt6 n ASN 137 Ca 0.00 -1.15 -0.06 0.00 1.68 0.00 0.00 54.58 55.05 1jt6 n ASN 137 Cb 0.05 0.06 -0.03 0.00 -1.54 0.00 0.00 39.78 38.32 1jt6 n ASN 137 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jt6 n GLY 138 N 0.30 0.88 0.21 7.41 0.00 0.39 -4.88 105.19 109.48 1jt6 n GLY 138 Ca 0.02 -0.76 0.10 0.00 0.00 0.00 0.00 46.02 45.38 1jt6 n GLY 138 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1jt6 h GLU 139 N 0.00 0.00 -2.13 1.61 5.08 -0.74 -3.47 114.58 114.93 1jt6 h GLU 139 Ca -0.13 0.00 0.28 0.00 -1.00 0.00 0.00 59.36 58.50 1jt6 h GLU 139 Cb 0.42 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.60 1jt6 h GLU 139 CO 0.19 0.19 0.77 1.67 -1.00 0.00 0.00 179.01 180.84 1jt6 s TRP 140 N -3.32 0.02 -0.26 4.33 -2.14 -1.21 -5.04 118.94 111.33 1jt6 s TRP 140 Ca 0.04 -0.23 -0.01 0.00 2.66 0.00 0.00 56.10 58.55 1jt6 s TRP 140 Cb 0.08 0.61 0.08 0.00 -3.10 0.00 0.00 33.47 31.13 1jt6 s TRP 140 CO 0.66 -0.50 0.06 0.45 -2.66 0.00 0.00 176.95 174.96 1jt6 s SER 141 N -3.48 3.61 -0.15 -2.66 0.15 -1.26 -4.35 113.70 105.56 1jt6 s SER 141 Ca 0.23 -1.29 -0.02 0.00 0.70 0.00 0.00 55.95 55.58 1jt6 s SER 141 Cb -0.00 -0.81 -0.02 0.00 -1.71 0.00 0.00 66.02 63.48 1jt6 s SER 141 CO 0.01 -0.35 -0.09 -0.63 1.20 0.00 0.00 173.24 173.37 1jt6 s ILE 142 N 1.68 3.32 -0.40 6.45 1.01 -1.26 -4.99 121.20 127.00 1jt6 s ILE 142 Ca 0.04 -0.56 0.23 0.00 0.00 0.00 0.00 60.65 60.36 1jt6 s ILE 142 Cb -0.17 -2.43 0.05 0.00 0.01 0.00 0.00 42.46 39.91 1jt6 s ILE 142 CO -0.17 0.50 1.19 -0.55 0.00 0.00 0.00 174.94 175.92 1jt6 h ASN 143 N 6.96 0.00 -2.14 3.58 -0.00 -1.99 -3.40 115.58 118.59 1jt6 h ASN 143 Ca -0.30 -0.08 -0.58 0.00 -0.00 0.00 0.00 56.30 55.34 1jt6 h ASN 143 Cb 1.20 0.00 -0.42 0.00 -0.00 0.00 0.00 38.32 39.10 1jt6 h ASN 143 CO 0.58 0.04 -0.71 -0.90 -0.00 0.00 0.00 177.43 176.44 1jt6 n ASP 144 N -2.51 4.15 -0.25 6.14 5.75 -1.26 -4.93 116.55 123.65 1jt6 n ASP 144 Ca 0.02 -3.62 0.04 0.00 -0.01 0.00 0.00 54.79 51.22 1jt6 n ASP 144 Cb 0.51 -0.55 0.14 0.00 -1.03 0.00 0.00 41.12 40.19 1jt6 n ASP 144 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 1jt6 h VAL 145 N 2.75 0.36 -0.84 2.12 2.07 -1.98 0.79 116.25 121.52 1jt6 h VAL 145 Ca 0.15 -0.03 0.08 0.00 0.82 0.00 0.00 66.70 67.71 1jt6 h VAL 145 Cb 0.61 0.25 -0.06 0.00 -1.52 0.00 0.00 31.29 30.58 1jt6 h VAL 145 CO 0.79 0.02 0.55 0.78 0.02 0.00 0.00 177.57 179.73 1jt6 h ASN 146 N 0.10 0.77 0.02 0.57 2.35 -1.97 -0.40 115.58 117.03 1jt6 h ASN 146 Ca 0.39 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 56.16 1jt6 h ASN 146 Cb 0.68 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.90 1jt6 h ASN 146 CO -0.64 0.48 -0.01 0.00 -1.65 0.00 0.00 177.43 175.60 1jt6 h ALA 147 N 1.56 -0.03 -0.49 -0.83 0.00 -1.31 -2.42 119.26 115.73 1jt6 h ALA 147 Ca 0.38 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1jt6 h ALA 147 Cb 0.34 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1jt6 h ALA 147 CO -0.15 -0.16 0.33 0.28 0.00 0.00 0.00 179.25 179.55 1jt6 h VAL 148 N -0.75 1.03 -0.60 0.00 2.07 -1.02 -0.02 116.25 116.95 1jt6 h VAL 148 Ca -0.00 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 1jt6 h VAL 148 Cb 0.69 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 1jt6 h VAL 148 CO 0.01 0.09 0.19 0.28 0.02 0.00 0.00 177.57 178.16 1jt6 h SER 149 N 0.52 0.87 -0.00 0.57 0.02 -1.07 -0.05 113.55 114.41 1jt6 h SER 149 Ca 0.20 -0.21 -0.14 0.00 -0.84 0.00 0.00 61.79 60.80 1jt6 h SER 149 Cb 0.16 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 1jt6 h SER 149 CO -0.05 0.85 -0.46 0.11 -1.14 0.00 0.00 176.83 176.13 1jt6 h LYS 150 N 0.85 0.55 -0.19 3.45 1.57 -0.63 -2.37 116.57 119.80 1jt6 h LYS 150 Ca 0.19 -0.30 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 1jt6 h LYS 150 Cb 0.28 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1jt6 h LYS 150 CO -0.01 0.90 -0.02 0.82 -0.57 0.00 0.00 179.45 180.57 1jt6 h ILE 151 N 0.44 1.27 -0.33 1.86 2.04 -0.62 -2.56 117.51 119.60 1jt6 h ILE 151 Ca 0.03 -0.95 0.02 0.00 1.00 0.00 0.00 64.86 64.96 1jt6 h ILE 151 Cb 0.98 1.52 -0.03 0.00 -0.74 0.00 0.00 36.82 38.55 1jt6 h ILE 151 CO 0.09 0.29 0.17 0.00 0.00 0.00 0.00 178.15 178.69 1jt6 h ALA 152 N 0.75 0.41 -0.08 1.87 0.00 -1.01 0.60 119.26 121.81 1jt6 h ALA 152 Ca 0.05 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1jt6 h ALA 152 Cb 0.44 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1jt6 h ALA 152 CO 0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 179.25 179.05 1jt6 h ALA 153 N 1.17 0.06 -0.02 0.00 0.00 -1.38 -0.22 119.26 118.87 1jt6 h ALA 153 Ca 0.14 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 1jt6 h ALA 153 Cb 0.04 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1jt6 h ALA 153 CO -0.09 -0.48 -0.70 -0.91 0.00 0.00 0.00 179.25 177.07 1jt6 h ASN 154 N 0.02 0.13 0.22 0.00 2.35 -1.36 -0.76 115.58 116.18 1jt6 h ASN 154 Ca 0.04 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 1jt6 h ASN 154 Cb 0.05 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.38 1jt6 h ASN 154 CO -0.07 0.79 -0.10 0.00 -1.65 0.00 0.00 177.43 176.40 1jt6 h ALA 155 N 1.21 -0.29 -0.62 -0.83 0.00 -0.63 -1.61 119.26 116.49 1jt6 h ALA 155 Ca -0.01 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.83 1jt6 h ALA 155 Cb 1.24 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 19.09 1jt6 h ALA 155 CO 0.10 -0.57 0.31 0.28 0.00 0.00 0.00 179.25 179.37 1jt6 h VAL 156 N -0.47 0.91 -0.18 0.00 2.07 -1.01 -0.72 116.25 116.85 1jt6 h VAL 156 Ca -0.03 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.30 1jt6 h VAL 156 Cb 0.36 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1jt6 h VAL 156 CO 0.05 0.10 0.12 0.78 0.02 0.00 0.00 177.57 178.65 1jt6 h ASN 157 N 0.57 0.17 -0.19 0.57 2.35 -0.96 0.40 115.58 118.50 1jt6 h ASN 157 Ca 0.29 -0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.94 1jt6 h ASN 157 Cb 0.24 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.56 1jt6 h ASN 157 CO -0.21 0.12 -0.27 1.23 -1.65 0.00 0.00 177.43 176.66 1jt6 h GLY 158 N 0.20 0.57 1.09 2.83 0.00 -0.15 -0.28 103.07 107.33 1jt6 h GLY 158 Ca 0.07 -0.62 -0.07 0.00 0.00 0.00 0.00 47.33 46.71 1jt6 h GLY 158 CO -0.01 0.56 0.18 -2.22 0.00 0.00 0.00 176.54 175.05 1jt6 h ILE 159 N 0.18 1.26 -0.40 2.60 2.04 -0.60 0.17 117.51 122.76 1jt6 h ILE 159 Ca 0.02 -0.96 -0.14 0.00 1.00 0.00 0.00 64.86 64.78 1jt6 h ILE 159 Cb 0.84 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 1jt6 h ILE 159 CO 0.06 0.37 -0.31 0.58 0.00 0.00 0.00 178.15 178.85 1jt6 h VAL 160 N 1.07 1.27 0.21 1.67 2.07 -0.88 -3.27 116.25 118.40 1jt6 h VAL 160 Ca 0.22 -1.48 -0.29 0.00 0.82 0.00 0.00 66.70 65.97 1jt6 h VAL 160 Cb 0.36 1.32 0.03 0.00 -1.52 0.00 0.00 31.29 31.48 1jt6 h VAL 160 CO 0.00 0.50 -1.32 0.74 0.02 0.00 0.00 177.57 177.50 1jt6 h THR 161 N 0.75 1.29 -0.71 2.57 2.02 -0.83 -3.39 112.91 114.60 1jt6 h THR 161 Ca 0.08 -2.61 0.00 0.00 0.77 0.00 0.00 66.41 64.64 1jt6 h THR 161 Cb 0.90 3.04 0.00 0.00 -1.74 0.00 0.00 68.15 70.35 1jt6 h THR 161 CO 0.08 0.78 0.00 0.49 0.37 0.00 0.00 175.52 177.24 1jt6 n PHE 162 N -3.83 1.09 0.40 3.16 3.01 0.03 -4.30 117.46 117.02 1jt6 n PHE 162 Ca -0.18 -0.53 0.08 0.00 1.01 0.00 0.00 57.45 57.84 1jt6 n PHE 162 Cb 1.01 -0.06 0.11 0.00 -0.01 0.00 0.00 39.48 40.53 1jt6 n PHE 162 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1jt6 n THR 163 N 1.51 0.29 -0.42 4.37 -1.04 -1.23 -4.77 114.28 112.99 1jt6 n THR 163 Ca 0.25 -0.65 0.40 0.00 -2.04 0.00 0.00 64.05 62.01 1jt6 n THR 163 Cb 0.68 1.09 0.68 0.00 -1.82 0.00 0.00 70.33 70.97 1jt6 n THR 163 CO 0.00 0.00 0.00 0.45 -0.64 0.00 0.00 175.07 174.88 1jt6 h HIS 164 N 3.08 0.00 0.00 -1.42 3.86 -1.81 -1.56 115.15 117.30 1jt6 h HIS 164 Ca 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1jt6 h HIS 164 Cb 0.72 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.19 1jt6 h HIS 164 CO 0.10 0.00 -0.04 1.05 0.86 0.00 0.00 177.93 179.90 1jt6 h GLU 165 N 0.00 0.00 -7.26 2.45 9.09 -1.96 -3.46 114.58 113.44 1jt6 h GLU 165 Ca 0.67 0.00 -0.49 0.00 0.05 0.00 0.00 59.36 59.59 1jt6 h GLU 165 Cb 3.03 0.00 0.06 0.00 -1.65 0.00 0.00 28.75 30.19 1jt6 h GLU 165 CO -0.01 0.04 0.38 -0.65 0.05 0.00 0.00 179.01 178.83 1jt6 s GLN 166 N -3.50 3.47 0.32 1.06 -0.21 -0.59 -4.99 119.66 115.22 1jt6 s GLN 166 Ca 0.03 0.99 -0.29 0.00 0.02 0.00 0.00 55.36 56.11 1jt6 s GLN 166 Cb 0.08 -2.06 -0.11 0.00 1.00 0.00 0.00 33.01 31.92 1jt6 s GLN 166 CO 0.60 -0.67 1.47 1.21 -2.12 0.00 0.00 175.29 175.78 1jt6 s ASN 167 N -3.36 6.51 0.37 5.90 3.84 -1.26 -4.82 114.94 122.10 1jt6 s ASN 167 Ca 0.59 2.87 0.16 0.00 0.21 0.00 0.00 52.86 56.69 1jt6 s ASN 167 Cb -0.13 -2.65 1.06 0.00 -0.55 0.00 0.00 41.25 38.99 1jt6 s ASN 167 CO 0.43 -0.78 1.72 -0.29 -2.79 0.00 0.00 177.10 175.39 1jt6 h ILE 168 N 3.21 0.45 -0.16 -5.21 6.09 -1.95 -0.18 117.51 119.77 1jt6 h ILE 168 Ca -0.48 -0.14 -0.16 0.00 -1.37 0.00 0.00 64.86 62.70 1jt6 h ILE 168 Cb 1.23 -0.00 -0.01 0.00 0.47 0.00 0.00 36.82 38.51 1jt6 h ILE 168 CO 0.71 0.08 -0.58 0.78 -3.07 0.00 0.00 178.15 176.06 1jt6 h ASN 169 N 0.41 0.56 -0.48 2.19 4.21 -1.99 -1.83 115.58 118.66 1jt6 h ASN 169 Ca 0.66 -0.31 -0.06 0.00 1.21 0.00 0.00 56.30 57.80 1jt6 h ASN 169 Cb 1.55 -0.16 -0.02 0.00 -1.12 0.00 0.00 38.32 38.57 1jt6 h ASN 169 CO -0.42 1.02 0.06 -0.08 -1.29 0.00 0.00 177.43 176.71 1jt6 h GLU 170 N 0.38 0.80 -0.77 0.81 4.57 -1.42 0.16 114.58 119.11 1jt6 h GLU 170 Ca 0.00 -0.23 -0.05 0.00 -1.18 0.00 0.00 59.36 57.91 1jt6 h GLU 170 Cb 1.12 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 29.59 1jt6 h GLU 170 CO 0.11 0.82 0.30 0.00 -1.18 0.00 0.00 179.01 179.06 1jt6 h ARG 171 N 0.67 1.15 -0.02 1.92 3.08 -1.25 0.68 114.38 120.60 1jt6 h ARG 171 Ca 0.14 -0.21 -0.12 0.00 0.07 0.00 0.00 59.98 59.86 1jt6 h ARG 171 Cb 0.42 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 1jt6 h ARG 171 CO 0.01 0.93 -0.56 0.82 -1.07 0.00 0.00 179.97 180.11 1jt6 h ILE 172 N 1.12 1.39 0.09 2.04 2.04 -1.14 -0.85 117.51 122.20 1jt6 h ILE 172 Ca 0.26 -1.90 -0.00 0.00 1.00 0.00 0.00 64.86 64.21 1jt6 h ILE 172 Cb 0.22 2.01 0.00 0.00 -0.74 0.00 0.00 36.82 38.31 1jt6 h ILE 172 CO -0.02 0.55 -0.04 0.50 0.00 0.00 0.00 178.15 179.14 1jt6 h LYS 173 N 0.04 -0.11 -0.62 2.37 3.11 0.06 -2.59 116.57 118.83 1jt6 h LYS 173 Ca -0.00 0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 57.83 1jt6 h LYS 173 Cb 1.00 0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 32.22 1jt6 h LYS 173 CO 0.08 0.21 0.34 -0.07 -2.81 0.00 0.00 179.45 177.19 1jt6 h LEU 174 N -0.44 0.76 -0.81 5.20 3.38 -0.74 -1.11 115.31 121.54 1jt6 h LEU 174 Ca -0.01 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 1jt6 h LEU 174 Cb 0.37 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1jt6 h LEU 174 CO 0.02 0.61 0.05 -0.03 0.09 0.00 0.00 178.44 179.18 1jt6 h MET 175 N 0.86 0.94 -0.16 1.13 4.05 -1.07 0.27 114.93 120.95 1jt6 h MET 175 Ca 0.22 -0.25 -0.16 0.00 -0.28 0.00 0.00 59.70 59.23 1jt6 h MET 175 Cb 0.02 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 30.70 1jt6 h MET 175 CO -0.04 0.90 -0.57 -0.91 0.23 0.00 0.00 176.91 176.53 1jt6 h ASN 176 N 0.88 0.56 -0.48 1.39 2.35 -1.01 -0.31 115.58 118.96 1jt6 h ASN 176 Ca 0.17 -0.31 -0.08 0.00 -0.55 0.00 0.00 56.30 55.54 1jt6 h ASN 176 Cb 0.45 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.64 1jt6 h ASN 176 CO 0.02 1.01 -0.01 0.50 -1.65 0.00 0.00 177.43 177.30 1jt6 h LYS 177 N 0.38 0.86 -0.55 0.81 1.63 -0.96 -0.57 116.57 118.18 1jt6 h LYS 177 Ca 0.00 -0.28 0.01 0.00 -0.85 0.00 0.00 60.65 59.53 1jt6 h LYS 177 Cb 1.11 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 32.63 1jt6 h LYS 177 CO 0.10 0.90 0.36 0.35 -3.45 0.00 0.00 179.45 177.72 1jt6 h PHE 178 N 0.71 0.69 -0.72 1.91 3.57 -0.70 0.46 116.94 122.86 1jt6 h PHE 178 Ca 0.14 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.62 1jt6 h PHE 178 Cb 0.52 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 1jt6 h PHE 178 CO 0.04 0.43 0.34 0.77 -2.23 0.00 0.00 178.31 177.66 1jt6 h SER 179 N 0.74 0.93 0.08 0.41 0.02 -0.58 -1.26 113.55 113.89 1jt6 h SER 179 Ca 0.20 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1jt6 h SER 179 Cb -0.08 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.23 1jt6 h SER 179 CO -0.05 0.79 -0.04 -0.61 -1.14 0.00 0.00 176.83 175.78 1jt6 h GLN 180 N 1.02 -0.11 0.15 3.45 4.15 -0.43 -1.44 115.11 121.91 1jt6 h GLN 180 Ca 0.25 0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.69 1jt6 h GLN 180 Cb 0.11 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.80 1jt6 h GLN 180 CO -0.03 0.14 -0.21 0.82 -1.93 0.00 0.00 178.83 177.62 1jt6 h ILE 181 N -0.35 0.53 -0.78 2.39 2.04 -0.73 -1.81 117.51 118.80 1jt6 h ILE 181 Ca -0.01 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.90 1jt6 h ILE 181 Cb 0.30 0.53 -0.06 0.00 -0.74 0.00 0.00 36.82 36.85 1jt6 h ILE 181 CO 0.02 0.00 0.48 0.15 0.00 0.00 0.00 178.15 178.80 1jt6 h PHE 182 N -0.42 0.89 0.00 1.37 3.04 -1.23 0.93 116.94 121.52 1jt6 h PHE 182 Ca 0.02 0.03 -0.10 0.00 3.98 0.00 0.00 57.97 61.89 1jt6 h PHE 182 Cb 0.42 -0.28 -0.01 0.00 2.56 0.00 0.00 35.95 38.63 1jt6 h PHE 182 CO -0.18 0.46 -0.49 1.25 -2.02 0.00 0.00 178.31 177.33 1jt6 h LEU 183 N 0.89 0.00 -0.40 0.59 5.85 -1.18 -2.57 115.31 118.49 1jt6 h LEU 183 Ca 0.34 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.87 1jt6 h LEU 183 Cb 0.13 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1jt6 h LEU 183 CO -0.16 0.49 -0.79 -1.13 -0.34 0.00 0.00 178.44 176.51 1jt6 h ASN 184 N 0.00 0.30 0.40 1.25 -0.73 -0.35 -3.01 115.58 113.44 1jt6 h ASN 184 Ca -0.00 -0.21 0.00 0.00 1.87 0.00 0.00 56.30 57.95 1jt6 h ASN 184 Cb 0.99 -0.09 0.00 0.00 0.27 0.00 0.00 38.32 39.49 1jt6 h ASN 184 CO 0.06 0.97 0.00 0.61 -0.37 0.00 0.00 177.43 178.70 1jt6 n GLY 185 N 0.67 -0.91 0.09 1.57 0.00 0.21 -2.36 105.19 104.45 1jt6 n GLY 185 Ca -0.03 -0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.04 1jt6 n GLY 185 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1jt6 h LEU 186 N 0.00 0.00 -0.59 0.99 3.38 -1.45 -3.51 115.31 114.13 1jt6 h LEU 186 Ca 0.00 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1jt6 h LEU 186 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1jt6 h LEU 186 CO 0.00 0.07 0.00 -1.54 0.09 0.00 0.00 178.44 177.06