#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u9k s GLU 26 N 0.00 4.11 -0.13 3.44 -1.05 -1.26 -4.29 118.70 119.51 1u9k s GLU 26 Ca 0.00 1.62 -0.03 0.00 -0.15 0.00 0.00 54.97 56.41 1u9k s GLU 26 Cb 0.00 -2.57 -0.03 0.00 -0.44 0.00 0.00 34.13 31.09 1u9k s GLU 26 CO 0.00 -0.21 -0.04 -2.00 0.95 0.00 0.00 175.26 173.96 1u9k s GLU 27 N -2.44 3.45 0.07 -4.83 2.12 -0.52 -4.94 118.70 111.61 1u9k s GLU 27 Ca 0.58 -0.51 -0.26 0.00 0.36 0.00 0.00 54.97 55.14 1u9k s GLU 27 Cb -0.25 -2.85 -0.06 0.00 0.26 0.00 0.00 34.13 31.23 1u9k s GLU 27 CO 0.31 0.36 0.82 0.50 -0.54 0.00 0.00 175.26 176.72 1u9k s ARG 28 N 0.03 4.56 -0.16 4.30 3.52 -1.26 -0.91 118.95 129.03 1u9k s ARG 28 Ca 0.01 1.18 0.00 0.00 -0.13 0.00 0.00 55.73 56.79 1u9k s ARG 28 Cb -0.13 -3.36 0.03 0.00 -1.56 0.00 0.00 34.95 29.92 1u9k s ARG 28 CO 0.03 0.28 -0.13 0.71 -0.81 0.00 0.00 175.30 175.37 1u9k s TYR 29 N -0.10 2.24 -0.35 5.12 1.51 -0.09 -4.92 117.35 120.76 1u9k s TYR 29 Ca 0.41 -1.32 -0.02 0.00 -1.01 0.00 0.00 57.07 55.12 1u9k s TYR 29 Cb -0.21 -1.61 0.08 0.00 -0.11 0.00 0.00 41.96 40.10 1u9k s TYR 29 CO 0.25 -0.69 0.09 -0.51 -1.11 0.00 0.00 175.55 173.58 1u9k s ASP 30 N 1.46 5.05 0.31 2.29 1.01 -1.26 -1.36 116.67 124.17 1u9k s ASP 30 Ca 0.03 -1.61 0.03 0.00 0.71 0.00 0.00 52.55 51.72 1u9k s ASP 30 Cb -0.14 -1.76 -0.05 0.00 1.01 0.00 0.00 42.92 41.98 1u9k s ASP 30 CO -0.10 -0.38 0.09 -0.76 0.21 0.00 0.00 175.17 174.23 1u9k s LEU 31 N 1.20 1.89 -0.06 1.23 1.43 -0.65 -5.02 118.68 118.70 1u9k s LEU 31 Ca 0.01 -1.43 -0.02 0.00 -1.03 0.00 0.00 54.13 51.66 1u9k s LEU 31 Cb -0.21 -0.13 -0.04 0.00 0.03 0.00 0.00 46.19 45.84 1u9k s LEU 31 CO -0.02 -0.72 0.05 -0.69 0.23 0.00 0.00 176.35 175.19 1u9k s VAL 32 N -3.50 4.62 0.20 -1.59 1.01 -1.26 -1.83 120.40 118.05 1u9k s VAL 32 Ca 0.35 -0.27 -0.32 0.00 0.00 0.00 0.00 61.98 61.74 1u9k s VAL 32 Cb 0.07 -3.02 -0.14 0.00 0.00 0.00 0.00 36.38 33.29 1u9k s VAL 32 CO 0.15 0.50 1.43 -1.84 0.00 0.00 0.00 175.10 175.34 1u9k n GLU 33 N 1.72 1.95 0.00 2.72 0.28 -0.14 -1.51 120.64 125.66 1u9k n GLU 33 Ca -0.17 0.70 0.00 0.00 -0.16 0.00 0.00 57.16 57.53 1u9k n GLU 33 Cb 0.53 -2.37 0.00 0.00 1.43 0.00 0.00 31.44 31.03 1u9k n GLU 33 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1u9k n GLY 34 N 2.52 2.70 3.87 -1.84 0.00 0.11 -4.91 105.19 107.64 1u9k n GLY 34 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1u9k n GLY 34 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1u9k s GLN 35 N -0.81 1.67 -0.17 1.61 -0.21 -0.57 -4.21 119.66 116.97 1u9k s GLN 35 Ca 0.00 0.14 -0.06 0.00 0.02 0.00 0.00 55.36 55.46 1u9k s GLN 35 Cb 0.00 -1.91 -0.04 0.00 1.00 0.00 0.00 33.01 32.06 1u9k s GLN 35 CO 0.00 -1.80 0.02 0.99 -2.12 0.00 0.00 175.29 172.38 1u9k s THR 36 N -3.51 4.46 0.01 -0.19 2.01 -1.26 -1.97 115.64 115.20 1u9k s THR 36 Ca 0.63 -0.15 -0.29 0.00 0.31 0.00 0.00 61.69 62.19 1u9k s THR 36 Cb -0.12 -2.99 -0.04 0.00 0.01 0.00 0.00 72.50 69.37 1u9k s THR 36 CO 0.50 0.48 0.92 -0.22 -0.69 0.00 0.00 174.62 175.61 1u9k s LEU 37 N 0.33 4.39 -0.10 4.42 2.96 0.12 -4.93 118.68 125.87 1u9k s LEU 37 Ca 0.01 1.59 0.04 0.00 -0.22 0.00 0.00 54.13 55.54 1u9k s LEU 37 Cb -0.13 -3.47 0.00 0.00 0.50 0.00 0.00 46.19 43.09 1u9k s LEU 37 CO 0.01 -0.19 -0.22 -0.89 -1.32 0.00 0.00 176.35 173.74 1u9k s THR 38 N 0.74 1.95 -0.06 3.68 2.01 -1.26 -1.49 115.64 121.21 1u9k s THR 38 Ca 0.48 -0.95 0.03 0.00 0.31 0.00 0.00 61.69 61.56 1u9k s THR 38 Cb -0.21 -1.69 0.00 0.00 0.01 0.00 0.00 72.50 70.61 1u9k s THR 38 CO 0.26 0.54 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.88 1u9k s VAL 39 N 0.41 1.40 -0.22 3.82 1.01 0.19 -4.98 120.40 122.02 1u9k s VAL 39 Ca -0.18 -0.66 -0.06 0.00 0.00 0.00 0.00 61.98 61.08 1u9k s VAL 39 Cb -0.18 -1.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 1u9k s VAL 39 CO 0.08 0.41 0.04 -0.54 0.00 0.00 0.00 175.10 175.08 1u9k s LYS 40 N 0.34 3.66 -0.32 2.72 1.02 -1.26 -0.82 119.74 125.08 1u9k s LYS 40 Ca -0.11 -0.49 0.03 0.00 0.02 0.00 0.00 55.97 55.42 1u9k s LYS 40 Cb -0.14 -3.20 0.09 0.00 -0.52 0.00 0.00 37.83 34.05 1u9k s LYS 40 CO 0.04 -0.06 0.01 0.00 -0.92 0.00 0.00 175.35 174.42 1u9k s PRO 42 N 1.00 2.85 0.07 0.00 0.02 -1.26 -1.69 135.00 135.99 1u9k s PRO 42 Ca 0.04 2.09 0.01 0.00 0.02 0.00 0.00 61.00 63.16 1u9k s PRO 42 Cb -0.20 -2.02 -0.04 0.00 0.02 0.00 0.00 34.50 32.27 1u9k s PRO 42 CO -0.06 -1.38 -0.06 -0.59 -0.33 0.00 0.00 177.00 174.58 1u9k s PHE 43 N -1.39 0.74 -0.80 6.54 -0.12 -0.64 -4.13 117.98 118.18 1u9k s PHE 43 Ca 0.78 -0.82 -0.26 0.00 -0.05 0.00 0.00 56.93 56.58 1u9k s PHE 43 Cb -0.37 -0.45 0.02 0.00 -0.63 0.00 0.00 43.02 41.59 1u9k s PHE 43 CO 0.42 -0.18 1.46 1.21 -0.05 0.00 0.00 175.22 178.08 1u9k s ASN 44 N -2.58 6.02 0.50 1.98 3.84 -1.26 -4.69 114.94 118.75 1u9k s ASN 44 Ca 0.04 -0.57 0.31 0.00 0.21 0.00 0.00 52.86 52.85 1u9k s ASN 44 Cb 0.01 -2.56 1.11 0.00 -0.55 0.00 0.00 41.25 39.26 1u9k s ASN 44 CO -0.04 -1.92 1.88 -0.29 -2.79 0.00 0.00 177.10 173.94 1u9k h ILE 45 N 6.44 0.00 0.00 -5.21 2.10 -1.91 0.43 117.51 119.37 1u9k h ILE 45 Ca -0.14 -0.60 -0.00 0.00 1.08 0.00 0.00 64.86 65.20 1u9k h ILE 45 Cb 1.06 1.59 0.00 0.00 -1.09 0.00 0.00 36.82 38.37 1u9k h ILE 45 CO 1.30 0.00 -0.00 -0.03 -1.08 0.00 0.00 178.15 178.34 1u9k h MET 46 N 0.00 -0.01 0.07 2.19 4.05 -2.01 -2.71 114.93 116.52 1u9k h MET 46 Ca 0.00 0.00 -0.25 0.00 -0.28 0.00 0.00 59.70 59.17 1u9k h MET 46 Cb 0.62 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.41 1u9k h MET 46 CO 0.00 0.06 -1.17 0.87 0.23 0.00 0.00 176.91 176.90 1u9k h LYS 47 N -0.07 0.15 0.00 0.39 1.57 -1.82 -3.40 116.57 113.39 1u9k h LYS 47 Ca -0.00 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.51 1u9k h LYS 47 Cb 0.06 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1u9k h LYS 47 CO 0.00 1.11 -0.24 0.66 -0.57 0.00 0.00 179.45 180.41 1u9k n TYR 48 N -3.44 0.00 -0.32 -1.35 4.01 0.08 -4.78 117.16 111.36 1u9k n TYR 48 Ca -0.06 -0.87 0.01 0.00 -0.16 0.00 0.00 57.90 56.82 1u9k n TYR 48 Cb 0.99 -0.15 0.15 0.00 -0.31 0.00 0.00 39.34 40.02 1u9k n TYR 48 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1u9k h ALA 49 N 0.23 1.22 -1.33 -0.72 0.00 -1.67 -2.64 119.26 114.35 1u9k h ALA 49 Ca -0.01 -0.01 -0.73 0.00 0.00 0.00 0.00 54.91 54.16 1u9k h ALA 49 Cb 1.12 -0.25 -0.32 0.00 0.00 0.00 0.00 17.79 18.35 1u9k h ALA 49 CO 0.01 0.32 0.53 -1.71 0.00 0.00 0.00 179.25 178.40 1u9k n ASN 50 N -4.59 6.61 -4.20 0.00 5.15 -1.26 -3.24 115.26 113.73 1u9k n ASN 50 Ca 0.13 -3.76 -0.19 0.00 -0.60 0.00 0.00 54.58 50.16 1u9k n ASN 50 Cb 0.17 -0.93 -0.12 0.00 -0.53 0.00 0.00 39.78 38.38 1u9k n ASN 50 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1u9k s SER 51 N -1.89 1.87 0.41 1.20 0.01 -1.00 -4.96 113.70 109.34 1u9k s SER 51 Ca 0.47 -0.65 -0.23 0.00 1.31 0.00 0.00 55.95 56.85 1u9k s SER 51 Cb 0.34 -0.07 -0.09 0.00 0.21 0.00 0.00 66.02 66.41 1u9k s SER 51 CO -0.26 -0.06 1.04 -1.58 0.41 0.00 0.00 173.24 172.79 1u9k s GLN 52 N -1.88 4.11 0.20 12.44 0.74 -1.26 -4.82 119.66 129.20 1u9k s GLN 52 Ca 0.01 1.46 0.10 0.00 0.05 0.00 0.00 55.36 56.97 1u9k s GLN 52 Cb -0.09 -2.45 -0.04 0.00 1.10 0.00 0.00 33.01 31.52 1u9k s GLN 52 CO 0.03 -0.18 -0.20 0.15 -0.55 0.00 0.00 175.29 174.54 1u9k s LYS 53 N -2.65 1.42 0.02 1.67 3.01 -1.26 -0.99 119.74 120.95 1u9k s LYS 53 Ca 0.60 -1.52 -0.05 0.00 -1.01 0.00 0.00 55.97 53.98 1u9k s LYS 53 Cb -0.20 -1.52 -0.01 0.00 -1.01 0.00 0.00 37.83 35.09 1u9k s LYS 53 CO 0.25 0.30 0.08 0.00 0.51 0.00 0.00 175.35 176.50 1u9k s ALA 54 N -2.13 -0.11 -0.22 5.17 0.00 0.10 -1.07 121.76 123.49 1u9k s ALA 54 Ca 0.20 -0.41 -0.08 0.00 0.00 0.00 0.00 51.96 51.67 1u9k s ALA 54 Cb -0.06 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 1u9k s ALA 54 CO 0.09 -0.24 0.08 -0.46 0.00 0.00 0.00 175.76 175.23 1u9k s TRP 55 N -1.88 3.16 0.16 0.00 -0.00 -0.56 -0.87 118.94 118.95 1u9k s TRP 55 Ca -0.11 -0.15 0.10 0.00 -0.00 0.00 0.00 56.10 55.93 1u9k s TRP 55 Cb -0.06 -2.19 -0.04 0.00 -0.00 0.00 0.00 33.47 31.18 1u9k s TRP 55 CO -0.01 -0.13 -0.21 -0.65 -0.00 0.00 0.00 176.95 175.95 1u9k s GLN 56 N 1.12 1.33 0.02 5.86 -0.21 0.56 -1.51 119.66 126.84 1u9k s GLN 56 Ca 0.05 -1.39 -0.01 0.00 0.02 0.00 0.00 55.36 54.02 1u9k s GLN 56 Cb -0.14 -1.56 -0.04 0.00 1.00 0.00 0.00 33.01 32.27 1u9k s GLN 56 CO 0.04 0.34 0.18 0.50 -2.12 0.00 0.00 175.29 174.23 1u9k s ARG 57 N -2.51 3.40 -0.64 2.91 3.52 -0.33 -1.08 118.95 124.23 1u9k s ARG 57 Ca 0.15 -0.38 0.05 0.00 -0.13 0.00 0.00 55.73 55.42 1u9k s ARG 57 Cb -0.08 -3.05 0.16 0.00 -1.56 0.00 0.00 34.95 30.42 1u9k s ARG 57 CO 0.07 0.65 0.44 -0.51 -0.81 0.00 0.00 175.30 175.14 1u9k s LEU 58 N -2.14 4.32 0.37 -0.88 1.43 0.14 -1.21 118.68 120.71 1u9k s LEU 58 Ca 0.30 -3.64 -0.26 0.00 -1.03 0.00 0.00 54.13 49.50 1u9k s LEU 58 Cb -0.13 -1.48 -0.09 0.00 0.03 0.00 0.00 46.19 44.52 1u9k s LEU 58 CO 0.22 -0.12 1.16 -2.16 0.23 0.00 0.00 176.35 175.68 1u9k s PRO 59 N -1.11 4.21 0.18 1.29 0.04 -1.26 -4.44 135.00 133.91 1u9k s PRO 59 Ca 0.25 1.84 -0.32 0.00 0.04 0.00 0.00 61.00 62.81 1u9k s PRO 59 Cb -0.07 -2.81 -0.11 0.00 0.04 0.00 0.00 34.50 31.56 1u9k s PRO 59 CO -0.15 -0.18 1.63 0.34 0.04 0.00 0.00 177.00 178.69 1u9k s ASP 60 N -1.05 6.50 0.00 6.66 2.15 -1.26 -2.97 116.67 126.70 1u9k s ASP 60 Ca 0.54 2.72 0.00 0.00 0.43 0.00 0.00 52.55 56.23 1u9k s ASP 60 Cb -0.31 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 39.71 1u9k s ASP 60 CO 0.40 -0.89 0.00 0.61 -0.17 0.00 0.00 175.17 175.12 1u9k n GLY 61 N 3.85 0.87 3.45 2.66 0.00 -1.26 -5.00 105.19 109.75 1u9k n GLY 61 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 1u9k n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u9k s LYS 62 N -0.18 1.59 0.60 1.61 1.02 -1.16 -5.12 119.74 118.10 1u9k s LYS 62 Ca 0.00 -1.80 -0.19 0.00 0.02 0.00 0.00 55.97 54.00 1u9k s LYS 62 Cb 0.00 -1.30 -0.03 0.00 -0.52 0.00 0.00 37.83 35.98 1u9k s LYS 62 CO 0.00 0.09 1.22 -1.21 -0.92 0.00 0.00 175.35 174.52 1u9k s GLU 63 N -3.68 2.93 0.44 1.68 0.41 -1.26 -4.73 118.70 114.47 1u9k s GLU 63 Ca 0.30 1.85 -0.22 0.00 -0.41 0.00 0.00 54.97 56.48 1u9k s GLU 63 Cb 0.03 -1.92 -0.12 0.00 -1.78 0.00 0.00 34.13 30.34 1u9k s GLU 63 CO 0.13 -1.25 0.65 -2.30 -0.49 0.00 0.00 175.26 172.00 1u9k n PRO 64 N -1.63 0.73 -3.69 0.39 -0.02 -1.26 -4.65 135.00 124.86 1u9k n PRO 64 Ca 0.14 0.27 -0.37 0.00 -2.02 0.00 0.00 63.50 61.51 1u9k n PRO 64 Cb 0.49 -1.65 -0.12 0.00 -0.02 0.00 0.00 33.50 32.21 1u9k n PRO 64 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1u9k s LEU 65 N 1.10 3.74 -0.30 2.45 2.96 -0.35 -4.98 118.68 123.30 1u9k s LEU 65 Ca 0.64 -0.22 -0.23 0.00 -0.22 0.00 0.00 54.13 54.11 1u9k s LEU 65 Cb -0.58 -1.99 -0.00 0.00 0.50 0.00 0.00 46.19 44.11 1u9k s LEU 65 CO 0.57 -0.07 0.76 -0.89 -1.32 0.00 0.00 176.35 175.40 1u9k s THR 66 N 1.66 4.83 -0.20 3.68 2.01 -1.26 -1.18 115.64 125.16 1u9k s THR 66 Ca 0.06 1.16 -0.05 0.00 0.31 0.00 0.00 61.69 63.17 1u9k s THR 66 Cb -0.16 -4.11 -0.20 0.00 0.01 0.00 0.00 72.50 68.04 1u9k s THR 66 CO 0.06 -0.21 0.02 0.18 -0.69 0.00 0.00 174.62 173.98 1u9k n LEU 67 N 6.12 2.63 -3.64 4.42 4.77 -0.57 -4.99 117.00 125.75 1u9k n LEU 67 Ca 0.03 0.10 -0.15 0.00 -0.03 0.00 0.00 56.01 55.96 1u9k n LEU 67 Cb 0.48 -0.98 -0.08 0.00 -2.33 0.00 0.00 43.42 40.51 1u9k n LEU 67 CO 0.49 0.81 0.28 -0.69 -1.33 0.00 0.00 177.39 176.95 1u9k s VAL 68 N -2.52 0.01 0.15 4.08 1.01 -1.21 -5.02 120.40 116.90 1u9k s VAL 68 Ca -0.30 -0.09 0.07 0.00 0.00 0.00 0.00 61.98 61.66 1u9k s VAL 68 Cb 0.08 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 1u9k s VAL 68 CO 0.65 -0.05 -0.15 0.68 0.00 0.00 0.00 175.10 176.23 1u9k s VAL 69 N -0.48 1.54 0.84 2.92 -7.23 -1.26 -1.49 120.40 115.23 1u9k s VAL 69 Ca -0.06 -1.85 -0.11 0.00 -1.81 0.00 0.00 61.98 58.15 1u9k s VAL 69 Cb -0.03 -1.70 0.09 0.00 0.56 0.00 0.00 36.38 35.30 1u9k s VAL 69 CO 0.04 -0.41 1.09 0.42 -0.31 0.00 0.00 175.10 175.93 1u9k s THR 70 N -2.23 2.97 0.15 5.32 -4.23 -0.23 -4.92 115.64 112.46 1u9k s THR 70 Ca 0.13 0.31 0.06 0.00 -1.18 0.00 0.00 61.69 61.02 1u9k s THR 70 Cb -0.04 -2.83 -0.04 0.00 1.34 0.00 0.00 72.50 70.92 1u9k s THR 70 CO 0.04 -0.41 0.01 -1.10 -0.54 0.00 0.00 174.62 172.62 1u9k s GLN 71 N -4.95 2.49 0.54 3.99 -0.21 -1.26 -4.82 119.66 115.44 1u9k s GLN 71 Ca 0.62 -1.00 -0.20 0.00 0.02 0.00 0.00 55.36 54.80 1u9k s GLN 71 Cb -0.17 -2.44 -0.05 0.00 1.00 0.00 0.00 33.01 31.35 1u9k s GLN 71 CO 0.56 0.48 1.20 1.03 -2.12 0.00 0.00 175.29 176.45 1u9k s ARG 72 N -2.76 3.28 0.31 2.91 0.52 -1.26 -4.01 118.95 117.94 1u9k s ARG 72 Ca 0.27 1.82 -0.29 0.00 -0.52 0.00 0.00 55.73 57.02 1u9k s ARG 72 Cb -0.10 -2.11 -0.10 0.00 0.52 0.00 0.00 34.95 33.16 1u9k s ARG 72 CO 0.19 -0.96 1.20 -2.14 0.02 0.00 0.00 175.30 173.61 1u9k s PRO 73 N -3.10 4.49 0.42 3.54 0.02 -1.26 -5.07 135.00 134.05 1u9k s PRO 73 Ca 0.72 2.00 0.21 0.00 0.02 0.00 0.00 61.00 63.95 1u9k s PRO 73 Cb -0.30 -3.12 0.91 0.00 0.02 0.00 0.00 34.50 32.01 1u9k s PRO 73 CO 0.34 0.01 1.84 0.74 -0.33 0.00 0.00 177.00 179.60 1u9k h PHE 74 N 3.57 0.00 0.00 6.54 0.04 -1.88 -2.25 116.94 122.95 1u9k h PHE 74 Ca -0.48 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.29 1u9k h PHE 74 Cb 1.22 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.37 1u9k h PHE 74 CO 0.57 0.29 0.00 1.79 -0.60 0.00 0.00 178.31 180.36 1u9k h THR 75 N 0.00 0.00 -3.45 -1.55 1.35 -1.87 -3.43 112.91 103.96 1u9k h THR 75 Ca -0.00 -0.55 -0.54 0.00 -0.55 0.00 0.00 66.41 64.77 1u9k h THR 75 Cb 0.71 1.52 -0.03 0.00 -1.73 0.00 0.00 68.15 68.63 1u9k h THR 75 CO 0.04 0.00 -0.06 -0.13 -0.25 0.00 0.00 175.52 175.12 1u9k s ARG 76 N -3.55 3.92 0.35 4.72 1.81 -0.85 -4.84 118.95 120.50 1u9k s ARG 76 Ca 0.03 0.44 -0.29 0.00 -1.72 0.00 0.00 55.73 54.19 1u9k s ARG 76 Cb 0.08 -2.72 -0.11 0.00 -0.45 0.00 0.00 34.95 31.75 1u9k s ARG 76 CO 0.55 0.35 1.48 -0.35 -0.68 0.00 0.00 175.30 176.64 1u9k n PRO 77 N 0.19 2.57 -3.78 3.54 -0.04 -1.26 -4.90 135.00 131.32 1u9k n PRO 77 Ca -0.01 0.90 -0.09 0.00 -0.04 0.00 0.00 63.50 64.27 1u9k n PRO 77 Cb 0.52 -2.62 -0.03 0.00 -0.04 0.00 0.00 33.50 31.33 1u9k n PRO 77 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1u9k s SER 78 N -0.00 -0.28 -0.12 3.54 1.04 -0.87 -4.99 113.70 112.02 1u9k s SER 78 Ca 0.56 -0.52 -0.04 0.00 0.48 0.00 0.00 55.95 56.43 1u9k s SER 78 Cb -0.50 0.65 0.05 0.00 0.10 0.00 0.00 66.02 66.32 1u9k s SER 78 CO 0.60 -1.18 0.14 -0.70 0.98 0.00 0.00 173.24 173.07 1u9k s GLU 79 N -3.89 0.05 -0.16 4.02 2.12 -1.26 -0.36 118.70 119.21 1u9k s GLU 79 Ca 0.10 0.32 -0.04 0.00 0.36 0.00 0.00 54.97 55.71 1u9k s GLU 79 Cb -0.03 -0.84 -0.03 0.00 0.26 0.00 0.00 34.13 33.49 1u9k s GLU 79 CO 0.02 -0.46 -0.03 0.08 -0.54 0.00 0.00 175.26 174.33 1u9k s VAL 80 N 2.24 3.96 -0.21 3.70 1.01 -0.04 -4.96 120.40 126.10 1u9k s VAL 80 Ca 0.04 -0.33 -0.03 0.00 0.00 0.00 0.00 61.98 61.66 1u9k s VAL 80 Cb -0.14 -2.74 -0.00 0.00 0.00 0.00 0.00 36.38 33.50 1u9k s VAL 80 CO -0.07 0.49 -0.08 -1.00 0.00 0.00 0.00 175.10 174.44 1u9k s HIS 81 N 0.34 2.92 -0.30 5.22 0.09 -1.26 -0.91 115.29 121.39 1u9k s HIS 81 Ca -0.04 -1.11 -0.03 0.00 -0.00 0.00 0.00 55.06 53.88 1u9k s HIS 81 Cb -0.14 -2.06 0.10 0.00 -0.00 0.00 0.00 32.58 30.48 1u9k s HIS 81 CO 0.03 -0.61 0.14 1.41 -0.00 0.00 0.00 174.74 175.70 1u9k s MET 82 N 1.43 0.27 6.36 1.40 1.75 -0.53 -5.04 119.30 124.94 1u9k s MET 82 Ca 0.06 -0.66 0.00 0.00 -1.25 0.00 0.00 55.69 53.83 1u9k s MET 82 Cb -0.14 -1.24 0.00 0.00 2.84 0.00 0.00 34.83 36.29 1u9k s MET 82 CO -0.06 -1.04 0.00 0.41 -0.65 0.00 0.00 175.02 173.69 1u9k n GLY 83 N 5.08 3.57 0.57 2.11 0.00 -1.26 -1.60 105.19 113.66 1u9k n GLY 83 Ca -0.04 0.23 0.13 0.00 0.00 0.00 0.00 46.02 46.35 1u9k n GLY 83 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1u9k n LYS 84 N 11.57 1.70 -3.78 1.61 5.02 -1.26 -4.89 118.16 128.14 1u9k n LYS 84 Ca 0.00 -1.14 -0.37 0.00 -2.02 0.00 0.00 58.31 54.79 1u9k n LYS 84 Cb 0.00 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.48 1u9k n LYS 84 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1u9k s PHE 85 N -2.08 3.62 -0.04 2.13 0.40 -0.62 -1.30 117.98 120.08 1u9k s PHE 85 Ca 0.33 0.63 0.01 0.00 -0.60 0.00 0.00 56.93 57.30 1u9k s PHE 85 Cb 0.20 -2.02 0.02 0.00 0.51 0.00 0.00 43.02 41.73 1u9k s PHE 85 CO 0.36 0.69 -0.06 0.99 0.70 0.00 0.00 175.22 177.90 1u9k s THR 86 N -1.11 0.61 -0.22 0.64 2.01 0.47 -1.46 115.64 116.58 1u9k s THR 86 Ca 0.20 -0.19 -0.01 0.00 0.31 0.00 0.00 61.69 62.00 1u9k s THR 86 Cb -0.13 -0.60 0.02 0.00 0.01 0.00 0.00 72.50 71.79 1u9k s THR 86 CO 0.09 0.23 -0.10 -0.22 -0.69 0.00 0.00 174.62 173.93 1u9k s LEU 87 N 0.72 2.76 -0.21 4.42 2.96 -0.09 -0.57 118.68 128.66 1u9k s LEU 87 Ca -0.10 -0.68 -0.07 0.00 -0.22 0.00 0.00 54.13 53.06 1u9k s LEU 87 Cb -0.13 -1.62 -0.03 0.00 0.50 0.00 0.00 46.19 44.91 1u9k s LEU 87 CO 0.01 -0.06 0.04 -0.54 -1.32 0.00 0.00 176.35 174.48 1u9k s LYS 88 N 1.35 3.73 -0.34 1.98 1.02 0.81 -0.86 119.74 127.43 1u9k s LYS 88 Ca 0.03 -0.46 -0.14 0.00 0.02 0.00 0.00 55.97 55.42 1u9k s LYS 88 Cb -0.15 -3.21 -0.02 0.00 -0.52 0.00 0.00 37.83 33.94 1u9k s LYS 88 CO -0.07 0.00 0.31 -1.58 -0.92 0.00 0.00 175.35 173.10 1u9k s HIS 89 N 1.07 3.22 -0.66 3.18 5.65 0.51 -0.73 115.29 127.53 1u9k s HIS 89 Ca 0.03 -0.07 0.05 0.00 0.25 0.00 0.00 55.06 55.32 1u9k s HIS 89 Cb -0.14 -2.59 0.18 0.00 -1.18 0.00 0.00 32.58 28.84 1u9k s HIS 89 CO 0.03 -0.39 0.50 -3.47 -0.65 0.00 0.00 174.74 170.75 1u9k n ASP 90 N 5.28 2.61 0.27 9.88 -0.08 0.39 -2.05 116.55 132.84 1u9k n ASP 90 Ca -0.10 -3.12 0.15 0.00 -1.51 0.00 0.00 54.79 50.20 1u9k n ASP 90 Cb 0.50 -0.72 0.70 0.00 2.34 0.00 0.00 41.12 43.93 1u9k n ASP 90 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1u9k h PRO 91 N 5.28 0.00 -0.94 -0.67 0.13 -1.89 -1.86 132.00 132.06 1u9k h PRO 91 Ca 0.17 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.37 1u9k h PRO 91 Cb 0.77 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.83 1u9k h PRO 91 CO 0.68 0.09 0.61 0.77 -0.23 0.00 0.00 178.00 179.92 1u9k h SER 92 N 0.00 0.93 -0.54 1.44 0.02 -1.92 -2.06 113.55 111.42 1u9k h SER 92 Ca -0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1u9k h SER 92 Cb 0.47 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1u9k h SER 92 CO 0.01 0.58 0.00 -0.62 -1.14 0.00 0.00 176.83 175.66 1u9k n GLU 93 N -4.51 4.13 -4.27 3.45 1.02 -0.80 -4.97 120.64 114.70 1u9k n GLU 93 Ca 0.15 -2.99 -0.33 0.00 -0.02 0.00 0.00 57.16 53.97 1u9k n GLU 93 Cb 0.22 -2.04 -0.06 0.00 -0.02 0.00 0.00 31.44 29.54 1u9k n GLU 93 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1u9k n ALA 94 N 0.58 -1.68 -2.67 0.62 0.00 -0.77 -4.91 120.51 111.68 1u9k n ALA 94 Ca 0.26 -0.25 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1u9k n ALA 94 Cb 1.02 -1.90 -0.07 0.00 0.00 0.00 0.00 19.45 18.51 1u9k n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u9k s MET 95 N -7.07 0.92 0.00 0.00 0.23 -0.77 -1.61 119.30 111.01 1u9k s MET 95 Ca 0.34 -0.92 0.02 0.00 -1.03 0.00 0.00 55.69 54.10 1u9k s MET 95 Cb -0.19 0.37 -0.04 0.00 -1.53 0.00 0.00 34.83 33.45 1u9k s MET 95 CO 0.97 -0.32 -0.03 -1.17 -2.03 0.00 0.00 175.02 172.45 1u9k s LEU 96 N -2.86 3.38 -0.09 0.18 2.96 -0.68 -0.46 118.68 121.11 1u9k s LEU 96 Ca 0.06 -0.07 0.02 0.00 -0.22 0.00 0.00 54.13 53.92 1u9k s LEU 96 Cb 0.04 -1.94 0.01 0.00 0.50 0.00 0.00 46.19 44.80 1u9k s LEU 96 CO -0.10 0.28 -0.15 -1.58 -1.32 0.00 0.00 176.35 173.47 1u9k s GLN 97 N -1.54 2.11 -0.07 1.98 0.74 0.09 -0.43 119.66 122.54 1u9k s GLN 97 Ca 0.19 -0.54 -0.00 0.00 0.05 0.00 0.00 55.36 55.05 1u9k s GLN 97 Cb -0.11 -1.72 -0.03 0.00 1.10 0.00 0.00 33.01 32.24 1u9k s GLN 97 CO 0.10 0.02 -0.04 0.08 -0.55 0.00 0.00 175.29 174.90 1u9k s VAL 98 N 0.73 3.98 -0.06 1.34 1.01 -0.00 -0.13 120.40 127.27 1u9k s VAL 98 Ca -0.12 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 61.49 1u9k s VAL 98 Cb -0.16 -2.66 0.01 0.00 0.00 0.00 0.00 36.38 33.58 1u9k s VAL 98 CO 0.03 0.59 -0.11 -1.10 0.00 0.00 0.00 175.10 174.51 1u9k s GLN 99 N -0.88 1.54 -0.19 2.72 -0.21 0.26 -0.64 119.66 122.26 1u9k s GLN 99 Ca 0.13 -0.37 -0.03 0.00 0.02 0.00 0.00 55.36 55.11 1u9k s GLN 99 Cb -0.11 -1.30 -0.01 0.00 1.00 0.00 0.00 33.01 32.59 1u9k s GLN 99 CO 0.02 0.03 -0.08 -1.64 -2.12 0.00 0.00 175.29 171.51 1u9k s MET 100 N 0.63 3.39 0.27 2.91 -1.94 -0.55 -0.39 119.30 123.61 1u9k s MET 100 Ca -0.13 -0.64 0.05 0.00 -1.71 0.00 0.00 55.69 53.26 1u9k s MET 100 Cb -0.15 -2.87 -0.02 0.00 2.01 0.00 0.00 34.83 33.80 1u9k s MET 100 CO 0.03 -0.04 0.40 0.95 -0.01 0.00 0.00 175.02 176.35 1u9k s THR 101 N 1.04 4.96 -1.26 2.05 -4.23 -0.42 -0.70 115.64 117.08 1u9k s THR 101 Ca 0.00 -0.96 -0.13 0.00 -1.18 0.00 0.00 61.69 59.42 1u9k s THR 101 Cb -0.15 -3.75 0.00 0.00 1.34 0.00 0.00 72.50 69.95 1u9k s THR 101 CO -0.01 -0.30 0.61 0.47 -0.54 0.00 0.00 174.62 174.85 1u9k n ASP 102 N -1.49 -2.99 -4.77 3.99 8.00 -1.14 -4.83 116.55 113.33 1u9k n ASP 102 Ca -0.07 -1.05 -0.41 0.00 0.71 0.00 0.00 54.79 53.98 1u9k n ASP 102 Cb 0.57 -3.05 -0.01 0.00 -0.02 0.00 0.00 41.12 38.62 1u9k n ASP 102 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1u9k s LEU 103 N -6.80 4.33 0.30 0.64 1.43 -0.83 -4.63 118.68 113.12 1u9k s LEU 103 Ca 0.27 2.99 0.10 0.00 -1.03 0.00 0.00 54.13 56.46 1u9k s LEU 103 Cb -0.11 -3.65 -0.05 0.00 0.03 0.00 0.00 46.19 42.41 1u9k s LEU 103 CO 0.89 -0.88 -0.03 -1.10 0.23 0.00 0.00 176.35 175.46 1u9k s GLN 104 N -1.37 2.11 0.26 1.70 -0.21 -1.26 0.10 119.66 120.99 1u9k s GLN 104 Ca 0.57 -1.60 -0.02 0.00 0.02 0.00 0.00 55.36 54.33 1u9k s GLN 104 Cb -0.47 -2.01 0.45 0.00 1.00 0.00 0.00 33.01 31.98 1u9k s GLN 104 CO 0.56 0.27 1.83 0.28 -2.12 0.00 0.00 175.29 176.11 1u9k h VAL 105 N 1.91 0.95 0.00 1.09 2.07 -1.91 -1.34 116.25 119.03 1u9k h VAL 105 Ca -0.43 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 66.77 1u9k h VAL 105 Cb 1.25 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1u9k h VAL 105 CO 0.63 0.17 0.00 0.35 0.02 0.00 0.00 177.57 178.73 1u9k n THR 106 N -4.66 0.22 0.65 2.57 -2.24 -1.26 -2.02 114.28 107.53 1u9k n THR 106 Ca 0.16 0.05 0.13 0.00 -2.27 0.00 0.00 64.05 62.12 1u9k n THR 106 Cb 0.28 -0.84 0.34 0.00 -2.10 0.00 0.00 70.33 68.01 1u9k n THR 106 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1u9k n ASP 107 N -1.09 0.71 -4.62 3.42 8.00 -0.50 -4.88 116.55 117.59 1u9k n ASP 107 Ca 0.09 0.40 -0.47 0.00 0.71 0.00 0.00 54.79 55.52 1u9k n ASP 107 Cb 0.06 -0.43 -0.03 0.00 -0.02 0.00 0.00 41.12 40.70 1u9k n ASP 107 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1u9k n SER 108 N -2.14 1.93 0.00 -2.24 7.64 -0.86 -4.85 113.62 113.11 1u9k n SER 108 Ca 0.05 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.07 1u9k n SER 108 Cb 0.42 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 1u9k n SER 108 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1u9k n GLY 109 N 2.01 -0.91 3.61 0.23 0.00 -0.68 -5.00 105.19 104.44 1u9k n GLY 109 Ca 0.13 -1.28 -0.34 0.00 0.00 0.00 0.00 46.02 44.52 1u9k n GLY 109 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1u9k s LEU 110 N 0.00 3.61 0.27 0.99 2.96 -1.26 -1.05 118.68 124.20 1u9k s LEU 110 Ca 0.00 0.04 0.04 0.00 -0.22 0.00 0.00 54.13 53.99 1u9k s LEU 110 Cb 0.00 -1.88 -0.06 0.00 0.50 0.00 0.00 46.19 44.75 1u9k s LEU 110 CO 0.00 0.22 0.02 -0.31 -1.32 0.00 0.00 176.35 174.95 1u9k s TYR 111 N 0.08 1.73 0.04 5.38 1.51 -0.13 0.29 117.35 126.25 1u9k s TYR 111 Ca 0.03 -0.92 -0.27 0.00 -1.01 0.00 0.00 57.07 54.90 1u9k s TYR 111 Cb -0.13 -1.04 0.08 0.00 -0.11 0.00 0.00 41.96 40.76 1u9k s TYR 111 CO 0.02 -0.01 0.69 -0.98 -1.11 0.00 0.00 175.55 174.16 1u9k s ARG 112 N -3.87 1.09 0.05 -0.62 1.70 -0.24 -0.94 118.95 116.13 1u9k s ARG 112 Ca 0.32 -0.15 -0.18 0.00 -0.47 0.00 0.00 55.73 55.25 1u9k s ARG 112 Cb 0.06 0.51 -0.06 0.00 -0.57 0.00 0.00 34.95 34.89 1u9k s ARG 112 CO 0.12 -0.43 0.52 0.00 -1.08 0.00 0.00 175.30 174.43 1u9k s VAL 114 N -1.10 0.20 -0.15 0.00 -7.23 -0.05 -1.07 120.40 110.99 1u9k s VAL 114 Ca 0.27 -1.62 -0.29 0.00 -1.81 0.00 0.00 61.98 58.53 1u9k s VAL 114 Cb -0.19 -1.36 -0.01 0.00 0.56 0.00 0.00 36.38 35.38 1u9k s VAL 114 CO 0.17 -0.90 1.06 -0.63 -0.31 0.00 0.00 175.10 174.50 1u9k s ILE 115 N -3.64 4.65 -0.23 -0.62 1.09 -0.21 -0.72 121.20 121.51 1u9k s ILE 115 Ca 0.04 1.95 -0.09 0.00 -1.10 0.00 0.00 60.65 61.46 1u9k s ILE 115 Cb 0.06 -4.26 -0.04 0.00 -1.06 0.00 0.00 42.46 37.16 1u9k s ILE 115 CO -0.09 -0.07 0.11 -0.47 -0.10 0.00 0.00 174.94 174.32 1u9k s TYR 116 N 2.54 3.22 -0.37 3.97 5.04 -0.17 -2.12 117.35 129.46 1u9k s TYR 116 Ca 0.48 -0.01 0.01 0.00 -2.44 0.00 0.00 57.07 55.11 1u9k s TYR 116 Cb -0.18 -2.23 0.18 0.00 0.35 0.00 0.00 41.96 40.08 1u9k s TYR 116 CO 0.14 -0.07 0.81 -3.38 -1.34 0.00 0.00 175.55 171.71 1u9k s HIS 117 N 1.15 -1.15 -0.33 4.97 -3.43 -1.26 -4.05 115.29 111.20 1u9k s HIS 117 Ca 0.06 0.16 -0.01 0.00 -0.80 0.00 0.00 55.06 54.47 1u9k s HIS 117 Cb -0.14 0.21 0.07 0.00 -1.43 0.00 0.00 32.58 31.29 1u9k s HIS 117 CO 0.04 -0.78 0.04 -1.25 -2.00 0.00 0.00 174.74 170.80 1u9k s PRO 118 N 1.89 2.23 0.00 -0.38 0.04 -1.26 -1.83 135.00 135.69 1u9k s PRO 118 Ca 0.15 -1.46 0.00 0.00 0.04 0.00 0.00 61.00 59.74 1u9k s PRO 118 Cb -0.01 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.27 1u9k s PRO 118 CO -0.10 -0.75 0.00 -0.35 0.04 0.00 0.00 177.00 175.84 1u9k n PRO 119 N 4.57 4.35 -1.78 0.56 -0.04 -1.26 -5.12 135.00 136.29 1u9k n PRO 119 Ca -0.09 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.06 1u9k n PRO 119 Cb 0.43 -0.43 0.04 0.00 -0.04 0.00 0.00 33.50 33.50 1u9k n PRO 119 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1u9k s ASN 120 N -0.16 5.52 0.31 3.54 0.01 -0.76 -4.98 114.94 118.43 1u9k s ASN 120 Ca 0.00 1.33 -0.30 0.00 -0.71 0.00 0.00 52.86 53.18 1u9k s ASN 120 Cb 0.00 -2.20 -0.11 0.00 0.41 0.00 0.00 41.25 39.34 1u9k s ASN 120 CO 0.00 -1.31 1.59 0.47 -1.51 0.00 0.00 177.10 176.34 1u9k n ASP 121 N -3.02 3.90 -4.62 -1.22 8.00 -1.26 -4.66 116.55 113.67 1u9k n ASP 121 Ca 0.07 1.16 -0.35 0.00 0.71 0.00 0.00 54.79 56.37 1u9k n ASP 121 Cb 0.55 -1.60 0.10 0.00 -0.02 0.00 0.00 41.12 40.15 1u9k n ASP 121 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1u9k n PRO 122 N 1.93 0.40 -4.07 -0.24 -0.04 -1.26 -4.81 135.00 126.91 1u9k n PRO 122 Ca 0.07 0.20 -0.35 0.00 -0.04 0.00 0.00 63.50 63.38 1u9k n PRO 122 Cb 0.37 -2.25 -0.12 0.00 -0.04 0.00 0.00 33.50 31.46 1u9k n PRO 122 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1u9k s VAL 123 N -1.91 4.10 0.05 0.52 1.01 -0.90 -4.94 120.40 118.32 1u9k s VAL 123 Ca 0.73 -0.27 -0.30 0.00 0.00 0.00 0.00 61.98 62.14 1u9k s VAL 123 Cb -0.33 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 1u9k s VAL 123 CO 0.51 0.43 0.97 -0.69 0.00 0.00 0.00 175.10 176.32 1u9k s VAL 124 N 0.92 4.72 0.15 2.92 1.01 -1.26 -1.05 120.40 127.81 1u9k s VAL 124 Ca 0.02 2.05 0.03 0.00 0.00 0.00 0.00 61.98 64.08 1u9k s VAL 124 Cb -0.14 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 31.89 1u9k s VAL 124 CO 0.02 0.23 0.25 -0.76 0.00 0.00 0.00 175.10 174.84 1u9k s LEU 125 N 0.58 4.22 0.00 3.92 1.43 -0.24 -4.94 118.68 123.65 1u9k s LEU 125 Ca 0.50 0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.70 1u9k s LEU 125 Cb -0.22 -2.80 0.00 0.00 0.03 0.00 0.00 46.19 43.20 1u9k s LEU 125 CO 0.29 0.06 0.00 0.33 0.23 0.00 0.00 176.35 177.25 1u9k n PHE 126 N -0.48 0.00 -3.82 0.29 7.35 -1.26 -4.57 117.46 114.98 1u9k n PHE 126 Ca -0.07 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.52 1u9k n PHE 126 Cb 0.54 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.32 1u9k n PHE 126 CO 0.00 0.00 0.00 -3.38 -0.76 0.00 0.00 176.76 172.62 1u9k s HIS 127 N 0.00 0.06 0.56 -5.13 -3.43 -1.26 -5.11 115.29 100.98 1u9k s HIS 127 Ca 0.00 -0.42 -0.21 0.00 -0.80 0.00 0.00 55.06 53.63 1u9k s HIS 127 Cb 0.00 0.23 -0.05 0.00 -1.43 0.00 0.00 32.58 31.33 1u9k s HIS 127 CO 0.00 -0.85 1.24 -2.30 -2.00 0.00 0.00 174.74 170.84 1u9k n PRO 128 N -0.29 1.44 -3.89 -0.38 -0.02 -1.26 -4.76 135.00 125.85 1u9k n PRO 128 Ca -0.09 0.54 -0.35 0.00 -2.02 0.00 0.00 63.50 61.57 1u9k n PRO 128 Cb 0.63 -2.44 -0.14 0.00 -0.02 0.00 0.00 33.50 31.53 1u9k n PRO 128 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1u9k s VAL 129 N -1.34 3.20 -0.52 -1.45 1.01 -0.12 -1.43 120.40 119.76 1u9k s VAL 129 Ca 0.73 -1.07 -0.20 0.00 0.00 0.00 0.00 61.98 61.44 1u9k s VAL 129 Cb -0.43 -2.71 0.06 0.00 0.00 0.00 0.00 36.38 33.30 1u9k s VAL 129 CO 0.48 0.05 0.66 -0.60 0.00 0.00 0.00 175.10 175.70 1u9k s ARG 130 N 1.35 3.14 -0.23 2.72 6.06 -0.09 -0.96 118.95 130.94 1u9k s ARG 130 Ca -0.01 -0.86 -0.14 0.00 -2.50 0.00 0.00 55.73 52.22 1u9k s ARG 130 Cb -0.18 -4.10 -0.04 0.00 0.06 0.00 0.00 34.95 30.69 1u9k s ARG 130 CO -0.01 -1.26 0.33 -1.17 -2.50 0.00 0.00 175.30 170.68 1u9k s LEU 131 N 2.75 4.12 -0.20 -0.88 2.96 -0.22 -0.92 118.68 126.30 1u9k s LEU 131 Ca 0.16 0.36 0.01 0.00 -0.22 0.00 0.00 54.13 54.44 1u9k s LEU 131 Cb -0.19 -2.38 0.03 0.00 0.50 0.00 0.00 46.19 44.14 1u9k s LEU 131 CO 0.12 -0.06 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.22 1u9k s VAL 132 N 1.40 2.13 -0.15 1.68 1.01 -0.46 -1.69 120.40 124.32 1u9k s VAL 132 Ca 0.15 -1.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.06 1u9k s VAL 132 Cb -0.15 -1.96 -0.01 0.00 0.00 0.00 0.00 36.38 34.26 1u9k s VAL 132 CO 0.07 0.43 -0.11 -0.69 0.00 0.00 0.00 175.10 174.80 1u9k s VAL 133 N 1.26 3.13 -0.07 2.92 1.01 -1.26 -1.64 120.40 125.75 1u9k s VAL 133 Ca 0.02 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.39 1u9k s VAL 133 Cb -0.14 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 33.90 1u9k s VAL 133 CO -0.11 0.51 0.52 0.35 0.00 0.00 0.00 175.10 176.36