#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 4.04 -0.12 3.44 -1.05 -1.26 -4.28 118.70 119.48 1u9k s GLU 26 Ca 0.00 1.22 -0.00 0.00 -0.15 0.00 0.00 54.97 56.03 1u9k s GLU 26 Cb 0.00 -2.14 -0.02 0.00 -0.44 0.00 0.00 34.13 31.53 1u9k s GLU 26 CO 0.00 -0.20 -0.10 -2.00 0.95 0.00 0.00 175.26 173.90 1u9k s GLU 27 N -3.22 3.26 0.14 -4.83 2.12 -0.29 -4.93 118.70 110.95 1u9k s GLU 27 Ca 0.64 -0.63 -0.30 0.00 0.36 0.00 0.00 54.97 55.04 1u9k s GLU 27 Cb -0.12 -2.66 -0.07 0.00 0.26 0.00 0.00 34.13 31.55 1u9k s GLU 27 CO 0.16 0.33 1.02 0.50 -0.54 0.00 0.00 175.26 176.73 1u9k s ARG 28 N 0.07 4.66 -0.24 4.30 3.52 -1.26 -0.63 118.95 129.37 1u9k s ARG 28 Ca -0.04 1.57 0.01 0.00 -0.13 0.00 0.00 55.73 57.15 1u9k s ARG 28 Cb -0.14 -3.33 0.06 0.00 -1.56 0.00 0.00 34.95 29.98 1u9k s ARG 28 CO 0.04 0.16 -0.07 0.71 -0.81 0.00 0.00 175.30 175.33 1u9k s TYR 29 N -0.11 2.69 -0.27 5.12 1.51 0.34 -4.91 117.35 121.71 1u9k s TYR 29 Ca 0.48 -1.95 -0.10 0.00 -1.01 0.00 0.00 57.07 54.49 1u9k s TYR 29 Cb -0.26 -1.71 -0.04 0.00 -0.11 0.00 0.00 41.96 39.84 1u9k s TYR 29 CO 0.32 -0.81 0.14 -0.51 -1.11 0.00 0.00 175.55 173.58 1u9k s ASP 30 N 1.30 5.68 0.16 2.29 1.01 -1.26 -1.45 116.67 124.41 1u9k s ASP 30 Ca -0.07 -0.08 -0.02 0.00 0.71 0.00 0.00 52.55 53.10 1u9k s ASP 30 Cb -0.19 -2.04 -0.04 0.00 1.01 0.00 0.00 42.92 41.66 1u9k s ASP 30 CO -0.06 -0.04 0.11 -0.76 0.21 0.00 0.00 175.17 174.64 1u9k s LEU 31 N 1.66 1.43 -0.03 1.23 1.43 -0.32 -5.00 118.68 119.09 1u9k s LEU 31 Ca 0.07 -1.25 -0.03 0.00 -1.03 0.00 0.00 54.13 51.88 1u9k s LEU 31 Cb -0.16 0.43 -0.04 0.00 0.03 0.00 0.00 46.19 46.45 1u9k s LEU 31 CO 0.08 -0.79 0.16 -0.69 0.23 0.00 0.00 176.35 175.33 1u9k s VAL 32 N -4.09 5.31 0.26 -1.59 1.01 -1.26 -1.70 120.40 118.35 1u9k s VAL 32 Ca 0.30 -0.15 -0.31 0.00 0.00 0.00 0.00 61.98 61.82 1u9k s VAL 32 Cb 0.07 -3.45 -0.13 0.00 0.00 0.00 0.00 36.38 32.87 1u9k s VAL 32 CO 0.06 0.37 1.40 -1.84 0.00 0.00 0.00 175.10 175.09 1u9k n GLU 33 N 1.14 2.09 0.00 2.72 0.28 0.32 -1.86 120.64 125.34 1u9k n GLU 33 Ca -0.13 0.74 0.00 0.00 -0.16 0.00 0.00 57.16 57.62 1u9k n GLU 33 Cb 0.53 -2.39 0.00 0.00 1.43 0.00 0.00 31.44 31.01 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 1.91 3.03 3.79 -1.84 0.00 0.47 -4.91 105.19 107.64 1u9k n GLY 34 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.90 0.54 -0.13 1.61 -0.21 -0.78 -4.17 119.66 115.63 1u9k s GLN 35 Ca 0.00 0.03 -0.01 0.00 0.02 0.00 0.00 55.36 55.40 1u9k s GLN 35 Cb 0.00 -1.79 -0.02 0.00 1.00 0.00 0.00 33.01 32.20 1u9k s GLN 35 CO 0.00 -2.55 -0.09 0.99 -2.12 0.00 0.00 175.29 171.52 1u9k s THR 36 N -3.39 3.44 -0.02 -0.19 2.01 -1.26 -1.23 115.64 115.00 1u9k s THR 36 Ca 0.68 -0.53 -0.26 0.00 0.31 0.00 0.00 61.69 61.89 1u9k s THR 36 Cb -0.11 -2.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.90 1u9k s THR 36 CO 0.54 0.52 0.80 -0.22 -0.69 0.00 0.00 174.62 175.57 1u9k s LEU 37 N 0.21 4.37 -0.08 4.42 2.96 -0.05 -4.94 118.68 125.58 1u9k s LEU 37 Ca -0.06 1.40 0.03 0.00 -0.22 0.00 0.00 54.13 55.28 1u9k s LEU 37 Cb -0.15 -3.26 0.01 0.00 0.50 0.00 0.00 46.19 43.29 1u9k s LEU 37 CO 0.04 -0.12 -0.17 -0.89 -1.32 0.00 0.00 176.35 173.89 1u9k s THR 38 N 0.62 1.53 -0.06 3.68 2.01 -1.26 -1.37 115.64 120.80 1u9k s THR 38 Ca 0.42 -0.72 0.01 0.00 0.31 0.00 0.00 61.69 61.71 1u9k s THR 38 Cb -0.19 -1.35 0.02 0.00 0.01 0.00 0.00 72.50 70.99 1u9k s THR 38 CO 0.22 0.44 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.84 1u9k s VAL 39 N 0.47 0.76 -0.32 3.82 1.01 -0.42 -4.99 120.40 120.73 1u9k s VAL 39 Ca -0.15 -0.24 -0.09 0.00 0.00 0.00 0.00 61.98 61.50 1u9k s VAL 39 Cb -0.16 -0.75 0.01 0.00 0.00 0.00 0.00 36.38 35.47 1u9k s VAL 39 CO 0.06 0.28 0.14 -0.54 0.00 0.00 0.00 175.10 175.03 1u9k s LYS 40 N 0.96 3.08 -0.40 2.72 1.02 -1.26 -0.59 119.74 125.26 1u9k s LYS 40 Ca -0.10 -0.88 -0.06 0.00 0.02 0.00 0.00 55.97 54.94 1u9k s LYS 40 Cb -0.15 -3.53 0.09 0.00 -0.52 0.00 0.00 37.83 33.72 1u9k s LYS 40 CO 0.00 -0.51 0.21 0.00 -0.92 0.00 0.00 175.35 174.14 1u9k s PRO 42 N 1.30 3.13 0.06 0.00 0.02 -1.26 -1.17 135.00 137.08 1u9k s PRO 42 Ca 0.04 1.89 0.04 0.00 0.02 0.00 0.00 61.00 62.99 1u9k s PRO 42 Cb -0.23 -2.06 -0.03 0.00 0.02 0.00 0.00 34.50 32.20 1u9k s PRO 42 CO -0.01 -1.10 -0.11 -0.59 -0.33 0.00 0.00 177.00 174.86 1u9k s PHE 43 N -1.53 0.96 -0.40 6.54 -0.12 -0.78 -4.31 117.98 118.35 1u9k s PHE 43 Ca 0.74 -0.50 -0.29 0.00 -0.05 0.00 0.00 56.93 56.83 1u9k s PHE 43 Cb -0.32 -0.55 0.01 0.00 -0.63 0.00 0.00 43.02 41.53 1u9k s PHE 43 CO 0.36 -0.01 1.39 1.21 -0.05 0.00 0.00 175.22 178.12 1u9k s ASN 44 N -1.76 6.39 0.34 1.98 3.84 -1.26 -4.68 114.94 119.79 1u9k s ASN 44 Ca -0.05 0.87 0.10 0.00 0.21 0.00 0.00 52.86 53.99 1u9k s ASN 44 Cb -0.09 -2.54 0.62 0.00 -0.55 0.00 0.00 41.25 38.69 1u9k s ASN 44 CO 0.01 -1.38 1.78 0.40 -2.79 0.00 0.00 177.10 175.12 1u9k h ILE 45 N 6.39 1.28 -0.44 -5.21 1.08 -1.92 -0.58 117.51 118.11 1u9k h ILE 45 Ca -0.27 -1.33 -0.03 0.00 -0.39 0.00 0.00 64.86 62.83 1u9k h ILE 45 Cb 1.10 1.64 -0.02 0.00 -3.07 0.00 0.00 36.82 36.47 1u9k h ILE 45 CO 1.08 0.39 0.13 0.24 -0.69 0.00 0.00 178.15 179.30 1u9k h MET 46 N 0.10 0.65 0.08 2.37 2.86 -2.02 -2.78 114.93 116.20 1u9k h MET 46 Ca 0.01 -0.11 -0.36 0.00 -2.06 0.00 0.00 59.70 57.19 1u9k h MET 46 Cb 0.69 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.21 1u9k h MET 46 CO 0.05 0.58 -2.06 1.63 1.06 0.00 0.00 176.91 178.17 1u9k n LYS 47 N -4.33 0.72 -0.09 1.72 5.02 -1.00 -4.69 118.16 115.51 1u9k n LYS 47 Ca 0.03 0.23 0.08 0.00 -2.02 0.00 0.00 58.31 56.63 1u9k n LYS 47 Cb 0.19 -1.68 0.11 0.00 -0.02 0.00 0.00 35.03 33.63 1u9k n LYS 47 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1u9k n TYR 48 N -3.33 0.00 -0.18 2.13 4.01 -0.26 -4.70 117.16 114.83 1u9k n TYR 48 Ca -0.32 -0.85 -0.03 0.00 -0.16 0.00 0.00 57.90 56.54 1u9k n TYR 48 Cb 1.04 -0.13 0.07 0.00 -0.31 0.00 0.00 39.34 40.01 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 0.00 0.70 -0.90 -0.72 0.00 -1.67 -2.71 119.26 113.97 1u9k h ALA 49 Ca 0.00 0.03 -0.54 0.00 0.00 0.00 0.00 54.91 54.40 1u9k h ALA 49 Cb 0.96 -0.06 -0.29 0.00 0.00 0.00 0.00 17.79 18.41 1u9k h ALA 49 CO 0.00 -0.09 0.55 -1.71 0.00 0.00 0.00 179.25 178.00 1u9k n ASN 50 N -4.89 5.24 -4.53 0.00 5.15 -1.26 -3.36 115.26 111.61 1u9k n ASN 50 Ca 0.06 -3.72 -0.29 0.00 -0.60 0.00 0.00 54.58 50.03 1u9k n ASN 50 Cb 0.16 -0.84 -0.10 0.00 -0.53 0.00 0.00 39.78 38.47 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 -1.83 4.14 0.47 1.20 0.01 -1.02 -4.88 113.70 111.78 1u9k s SER 51 Ca 0.58 -0.50 -0.22 0.00 1.31 0.00 0.00 55.95 57.13 1u9k s SER 51 Cb 0.48 -0.68 -0.08 0.00 0.21 0.00 0.00 66.02 65.95 1u9k s SER 51 CO 0.04 0.17 1.11 -1.58 0.41 0.00 0.00 173.24 173.39 1u9k s GLN 52 N -2.27 3.78 0.19 12.44 0.74 -1.26 -4.85 119.66 128.43 1u9k s GLN 52 Ca 0.20 1.60 0.09 0.00 0.05 0.00 0.00 55.36 57.30 1u9k s GLN 52 Cb -0.11 -2.29 -0.04 0.00 1.10 0.00 0.00 33.01 31.67 1u9k s GLN 52 CO 0.12 -0.49 -0.18 0.15 -0.55 0.00 0.00 175.29 174.34 1u9k s LYS 53 N -2.88 1.35 0.05 1.67 3.01 -1.26 -0.81 119.74 120.87 1u9k s LYS 53 Ca 0.65 -1.49 -0.13 0.00 -1.01 0.00 0.00 55.97 53.99 1u9k s LYS 53 Cb -0.24 -1.38 0.02 0.00 -1.01 0.00 0.00 37.83 35.22 1u9k s LYS 53 CO 0.28 0.27 0.30 0.00 0.51 0.00 0.00 175.35 176.72 1u9k s ALA 54 N -2.23 -0.66 -0.16 5.17 0.00 -0.14 -1.29 121.76 122.45 1u9k s ALA 54 Ca 0.19 -0.05 -0.05 0.00 0.00 0.00 0.00 51.96 52.05 1u9k s ALA 54 Cb -0.05 0.36 -0.03 0.00 0.00 0.00 0.00 23.12 23.40 1u9k s ALA 54 CO 0.08 -0.44 -0.00 -0.46 0.00 0.00 0.00 175.76 174.94 1u9k s TRP 55 N -2.74 3.11 0.06 0.00 -0.00 -0.73 -0.62 118.94 118.02 1u9k s TRP 55 Ca -0.04 -0.13 0.06 0.00 -0.00 0.00 0.00 56.10 56.00 1u9k s TRP 55 Cb -0.00 -1.98 -0.03 0.00 -0.00 0.00 0.00 33.47 31.46 1u9k s TRP 55 CO -0.05 0.07 -0.17 -0.65 -0.00 0.00 0.00 176.95 176.15 1u9k s GLN 56 N 0.25 1.10 0.03 5.86 -0.21 0.16 -0.92 119.66 125.93 1u9k s GLN 56 Ca -0.00 -0.91 -0.00 0.00 0.02 0.00 0.00 55.36 54.46 1u9k s GLN 56 Cb -0.13 -1.19 -0.04 0.00 1.00 0.00 0.00 33.01 32.65 1u9k s GLN 56 CO 0.02 0.29 0.14 0.50 -2.12 0.00 0.00 175.29 174.12 1u9k s ARG 57 N -1.36 3.24 -0.69 2.91 3.52 0.16 -1.13 118.95 125.61 1u9k s ARG 57 Ca 0.04 -0.46 0.04 0.00 -0.13 0.00 0.00 55.73 55.22 1u9k s ARG 57 Cb -0.09 -2.95 0.17 0.00 -1.56 0.00 0.00 34.95 30.52 1u9k s ARG 57 CO 0.02 0.63 0.47 -0.51 -0.81 0.00 0.00 175.30 175.10 1u9k s LEU 58 N -2.12 4.80 0.41 -0.88 1.43 0.13 -0.82 118.68 121.63 1u9k s LEU 58 Ca 0.29 -3.71 -0.26 0.00 -1.03 0.00 0.00 54.13 49.42 1u9k s LEU 58 Cb -0.12 -1.66 -0.09 0.00 0.03 0.00 0.00 46.19 44.35 1u9k s LEU 58 CO 0.21 -0.12 1.30 -2.16 0.23 0.00 0.00 176.35 175.81 1u9k s PRO 59 N -1.25 3.97 -0.01 1.29 0.04 -1.26 -4.44 135.00 133.33 1u9k s PRO 59 Ca 0.24 2.15 -0.31 0.00 0.04 0.00 0.00 61.00 63.11 1u9k s PRO 59 Cb -0.08 -2.75 -0.10 0.00 0.04 0.00 0.00 34.50 31.60 1u9k s PRO 59 CO -0.14 -0.49 1.95 -3.47 0.04 0.00 0.00 177.00 174.89 1u9k n ASP 60 N 0.12 3.92 -0.04 6.66 2.03 -1.26 -2.62 116.55 125.37 1u9k n ASP 60 Ca 0.04 0.91 -0.01 0.00 0.52 0.00 0.00 54.79 56.25 1u9k n ASP 60 Cb 0.44 -1.48 -0.00 0.00 -0.72 0.00 0.00 41.12 39.36 1u9k n ASP 60 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1u9k n GLY 61 N 4.54 0.47 3.40 0.27 0.00 -1.26 -5.01 105.19 107.60 1u9k n GLY 61 Ca 0.21 -0.52 -0.20 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.11 1.52 0.47 1.61 1.02 -1.08 -5.14 119.74 117.04 1u9k s LYS 62 Ca 0.00 -1.82 -0.22 0.00 0.02 0.00 0.00 55.97 53.95 1u9k s LYS 62 Cb 0.00 -0.73 -0.07 0.00 -0.52 0.00 0.00 37.83 36.51 1u9k s LYS 62 CO 0.00 -0.16 1.11 -1.21 -0.92 0.00 0.00 175.35 174.17 1u9k s GLU 63 N -3.89 3.75 0.33 1.68 0.41 -1.26 -4.70 118.70 115.00 1u9k s GLU 63 Ca 0.34 1.62 -0.27 0.00 -0.41 0.00 0.00 54.97 56.25 1u9k s GLU 63 Cb 0.07 -2.28 -0.13 0.00 -1.78 0.00 0.00 34.13 30.01 1u9k s GLU 63 CO 0.13 -0.52 0.93 -2.30 -0.49 0.00 0.00 175.26 173.01 1u9k n PRO 64 N -0.68 1.19 -3.67 0.39 -0.02 -1.26 -4.57 135.00 126.37 1u9k n PRO 64 Ca 0.08 0.42 -0.37 0.00 -2.02 0.00 0.00 63.50 61.61 1u9k n PRO 64 Cb 0.50 -1.80 -0.12 0.00 -0.02 0.00 0.00 33.50 32.06 1u9k n PRO 64 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1u9k s LEU 65 N 0.54 3.75 -0.27 2.45 1.43 -0.00 -4.97 118.68 121.61 1u9k s LEU 65 Ca 0.60 -0.12 -0.25 0.00 -1.03 0.00 0.00 54.13 53.34 1u9k s LEU 65 Cb -0.67 -2.02 -0.00 0.00 0.03 0.00 0.00 46.19 43.52 1u9k s LEU 65 CO 0.59 -0.05 0.84 -0.89 0.23 0.00 0.00 176.35 177.08 1u9k s THR 66 N 1.69 4.79 -0.20 5.49 2.01 -1.26 -0.66 115.64 127.50 1u9k s THR 66 Ca 0.07 1.49 0.06 0.00 0.31 0.00 0.00 61.69 63.61 1u9k s THR 66 Cb -0.16 -4.16 -0.21 0.00 0.01 0.00 0.00 72.50 67.98 1u9k s THR 66 CO 0.07 -0.16 0.05 0.18 -0.69 0.00 0.00 174.62 174.07 1u9k n LEU 67 N 6.14 1.87 -3.62 4.42 4.77 -0.09 -4.99 117.00 125.50 1u9k n LEU 67 Ca 0.06 0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.93 1u9k n LEU 67 Cb 0.48 -0.44 -0.07 0.00 -2.33 0.00 0.00 43.42 41.06 1u9k n LEU 67 CO 0.49 0.75 0.54 0.54 -1.33 0.00 0.00 177.39 178.38 1u9k s VAL 68 N -2.53 0.00 0.10 4.08 0.11 -1.22 -4.96 120.40 115.99 1u9k s VAL 68 Ca -0.23 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 58.87 1u9k s VAL 68 Cb 0.08 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.89 1u9k s VAL 68 CO 0.72 0.00 -0.13 0.68 -3.33 0.00 0.00 175.10 173.04 1u9k s VAL 69 N 0.15 1.16 0.78 2.04 -7.23 -1.26 -1.77 120.40 114.26 1u9k s VAL 69 Ca 0.00 -1.59 -0.11 0.00 -1.81 0.00 0.00 61.98 58.47 1u9k s VAL 69 Cb -0.04 -1.36 0.06 0.00 0.56 0.00 0.00 36.38 35.60 1u9k s VAL 69 CO -0.01 -0.41 1.09 0.42 -0.31 0.00 0.00 175.10 175.88 1u9k s THR 70 N -2.01 3.24 0.30 5.32 -4.23 -0.41 -4.93 115.64 112.92 1u9k s THR 70 Ca 0.05 0.40 0.11 0.00 -1.18 0.00 0.00 61.69 61.07 1u9k s THR 70 Cb -0.06 -3.12 -0.06 0.00 1.34 0.00 0.00 72.50 70.61 1u9k s THR 70 CO 0.02 -0.53 -0.16 -1.10 -0.54 0.00 0.00 174.62 172.31 1u9k s GLN 71 N -5.11 1.74 0.52 3.99 -1.52 -1.26 -4.78 119.66 113.24 1u9k s GLN 71 Ca 0.60 -1.83 -0.21 0.00 -1.95 0.00 0.00 55.36 51.98 1u9k s GLN 71 Cb -0.15 -1.75 -0.06 0.00 -0.22 0.00 0.00 33.01 30.83 1u9k s GLN 71 CO 0.55 0.26 1.16 1.03 -0.25 0.00 0.00 175.29 178.04 1u9k s ARG 72 N -3.55 3.45 0.15 2.91 0.52 -1.26 -3.91 118.95 117.25 1u9k s ARG 72 Ca 0.31 1.73 -0.30 0.00 -0.52 0.00 0.00 55.73 56.95 1u9k s ARG 72 Cb -0.02 -2.16 -0.07 0.00 0.52 0.00 0.00 34.95 33.22 1u9k s ARG 72 CO 0.16 -0.80 1.09 -2.14 0.02 0.00 0.00 175.30 173.62 1u9k s PRO 73 N -3.05 4.58 0.47 3.54 0.02 -1.26 -5.07 135.00 134.23 1u9k s PRO 73 Ca 0.70 1.68 0.30 0.00 0.02 0.00 0.00 61.00 63.70 1u9k s PRO 73 Cb -0.27 -3.31 1.13 0.00 0.02 0.00 0.00 34.50 32.07 1u9k s PRO 73 CO 0.32 0.04 1.87 0.74 -0.33 0.00 0.00 177.00 179.64 1u9k h PHE 74 N 5.47 0.00 0.00 6.54 0.04 -1.88 -2.06 116.94 125.05 1u9k h PHE 74 Ca -0.44 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.33 1u9k h PHE 74 Cb 1.21 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.36 1u9k h PHE 74 CO 0.64 0.00 0.00 0.25 -0.60 0.00 0.00 178.31 178.60 1u9k n THR 75 N -2.90 0.42 -3.29 -1.55 -2.24 -1.21 -4.65 114.28 98.86 1u9k n THR 75 Ca 0.02 -0.07 -0.38 0.00 -2.27 0.00 0.00 64.05 61.35 1u9k n THR 75 Cb 0.33 -0.65 -0.06 0.00 -2.10 0.00 0.00 70.33 67.85 1u9k n THR 75 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1u9k s ARG 76 N -3.07 4.16 0.34 -0.78 1.81 -0.78 -4.88 118.95 115.74 1u9k s ARG 76 Ca 0.11 0.69 -0.29 0.00 -1.72 0.00 0.00 55.73 54.53 1u9k s ARG 76 Cb 0.14 -3.17 -0.12 0.00 -0.45 0.00 0.00 34.95 31.35 1u9k s ARG 76 CO 0.52 0.61 1.38 -2.30 -0.68 0.00 0.00 175.30 174.83 1u9k n PRO 77 N 1.53 2.32 -3.67 3.54 -0.02 -1.26 -4.91 135.00 132.52 1u9k n PRO 77 Ca -0.09 0.81 -0.10 0.00 -2.02 0.00 0.00 63.50 62.10 1u9k n PRO 77 Cb 0.51 -2.46 -0.04 0.00 -0.02 0.00 0.00 33.50 31.49 1u9k n PRO 77 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1u9k s SER 78 N -0.13 -0.27 -0.04 2.55 1.04 -0.83 -5.00 113.70 111.03 1u9k s SER 78 Ca 0.57 -0.38 -0.02 0.00 0.48 0.00 0.00 55.95 56.60 1u9k s SER 78 Cb -0.55 0.53 0.03 0.00 0.10 0.00 0.00 66.02 66.14 1u9k s SER 78 CO 0.60 -0.96 0.06 -1.83 0.98 0.00 0.00 173.24 172.09 1u9k s GLU 79 N -3.84 -0.07 -0.06 4.02 -1.05 -1.26 -0.37 118.70 116.08 1u9k s GLU 79 Ca 0.06 0.36 0.05 0.00 -0.15 0.00 0.00 54.97 55.29 1u9k s GLU 79 Cb 0.00 -0.45 -0.02 0.00 -0.44 0.00 0.00 34.13 33.22 1u9k s GLU 79 CO -0.08 -0.30 -0.20 0.54 0.95 0.00 0.00 175.26 176.17 1u9k s VAL 80 N 1.99 2.49 -0.09 1.83 0.11 -0.48 -4.97 120.40 121.26 1u9k s VAL 80 Ca 0.02 -0.92 -0.03 0.00 -2.93 0.00 0.00 61.98 58.13 1u9k s VAL 80 Cb -0.12 -1.94 -0.03 0.00 -1.53 0.00 0.00 36.38 32.76 1u9k s VAL 80 CO -0.03 0.57 0.02 -1.00 -3.33 0.00 0.00 175.10 171.33 1u9k s HIS 81 N -0.38 3.21 -0.32 1.54 3.76 -1.26 -1.13 115.29 120.71 1u9k s HIS 81 Ca 0.03 0.21 0.02 0.00 -0.15 0.00 0.00 55.06 55.17 1u9k s HIS 81 Cb -0.12 -1.82 0.15 0.00 1.11 0.00 0.00 32.58 31.90 1u9k s HIS 81 CO 0.02 0.48 0.38 1.41 -0.85 0.00 0.00 174.74 176.17 1u9k s MET 82 N -0.83 0.46 7.84 1.40 1.75 -0.24 -5.02 119.30 124.67 1u9k s MET 82 Ca 0.13 -0.22 0.00 0.00 -1.25 0.00 0.00 55.69 54.35 1u9k s MET 82 Cb -0.11 -0.50 0.00 0.00 2.84 0.00 0.00 34.83 37.05 1u9k s MET 82 CO 0.02 -1.08 0.00 0.41 -0.65 0.00 0.00 175.02 173.72 1u9k n GLY 83 N 5.02 3.58 0.33 2.11 0.00 -1.26 -1.07 105.19 113.91 1u9k n GLY 83 Ca 0.03 -0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.09 1u9k n GLY 83 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1u9k n LYS 84 N 13.67 1.44 -3.86 1.61 2.85 -1.26 -4.87 118.16 127.75 1u9k n LYS 84 Ca 0.00 -0.66 -0.37 0.00 -1.05 0.00 0.00 58.31 56.23 1u9k n LYS 84 Cb 0.00 -1.37 -0.06 0.00 -0.65 0.00 0.00 35.03 32.95 1u9k n LYS 84 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1u9k s PHE 85 N -1.89 3.60 -0.04 5.58 0.40 -0.23 -1.44 117.98 123.96 1u9k s PHE 85 Ca 0.32 0.55 0.02 0.00 -0.60 0.00 0.00 56.93 57.21 1u9k s PHE 85 Cb 0.16 -1.96 0.01 0.00 0.51 0.00 0.00 43.02 41.74 1u9k s PHE 85 CO 0.25 0.72 -0.08 0.99 0.70 0.00 0.00 175.22 177.81 1u9k s THR 86 N -0.99 0.79 -0.17 0.64 2.01 0.14 -1.07 115.64 116.98 1u9k s THR 86 Ca 0.15 -0.30 -0.00 0.00 0.31 0.00 0.00 61.69 61.85 1u9k s THR 86 Cb -0.12 -0.74 0.00 0.00 0.01 0.00 0.00 72.50 71.65 1u9k s THR 86 CO 0.04 0.27 -0.14 -0.22 -0.69 0.00 0.00 174.62 173.88 1u9k s LEU 87 N 0.63 2.50 -0.23 4.42 2.96 -0.28 -0.84 118.68 127.83 1u9k s LEU 87 Ca -0.10 -0.48 -0.07 0.00 -0.22 0.00 0.00 54.13 53.26 1u9k s LEU 87 Cb -0.13 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 44.95 1u9k s LEU 87 CO 0.01 0.05 0.05 -0.54 -1.32 0.00 0.00 176.35 174.61 1u9k s LYS 88 N 1.00 3.66 -0.43 1.98 1.02 0.11 -1.39 119.74 125.69 1u9k s LYS 88 Ca -0.02 -0.48 -0.17 0.00 0.02 0.00 0.00 55.97 55.32 1u9k s LYS 88 Cb -0.15 -3.24 0.03 0.00 -0.52 0.00 0.00 37.83 33.95 1u9k s LYS 88 CO -0.03 -0.10 0.44 -1.58 -0.92 0.00 0.00 175.35 173.16 1u9k s HIS 89 N 1.36 3.17 -0.66 3.18 5.65 0.50 -0.41 115.29 128.07 1u9k s HIS 89 Ca 0.05 -0.46 0.06 0.00 0.25 0.00 0.00 55.06 54.95 1u9k s HIS 89 Cb -0.15 -2.97 0.21 0.00 -1.18 0.00 0.00 32.58 28.50 1u9k s HIS 89 CO 0.03 -0.74 0.62 -3.47 -0.65 0.00 0.00 174.74 170.53 1u9k n ASP 90 N 5.59 3.22 0.24 9.88 -0.08 0.63 -1.97 116.55 134.07 1u9k n ASP 90 Ca -0.08 -3.29 0.10 0.00 -1.51 0.00 0.00 54.79 50.01 1u9k n ASP 90 Cb 0.47 -0.71 0.59 0.00 2.34 0.00 0.00 41.12 43.81 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 4.75 0.00 -0.55 -0.67 0.13 -1.90 -0.55 132.00 133.21 1u9k h PRO 91 Ca 0.18 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 65.47 1u9k h PRO 91 Cb 0.71 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.82 1u9k h PRO 91 CO 0.76 0.20 0.46 1.03 -0.23 0.00 0.00 178.00 180.21 1u9k h SER 92 N 0.00 0.00 -0.25 1.44 0.87 -1.92 -1.38 113.55 112.30 1u9k h SER 92 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1u9k h SER 92 Cb 0.49 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 1u9k h SER 92 CO 0.03 0.00 0.00 -0.62 -0.53 0.00 0.00 176.83 175.71 1u9k n GLU 93 N -4.08 2.34 -3.88 2.24 1.02 -0.26 -4.98 120.64 113.03 1u9k n GLU 93 Ca 0.10 -1.81 -0.25 0.00 -0.02 0.00 0.00 57.16 55.18 1u9k n GLU 93 Cb 0.68 -1.24 -0.01 0.00 -0.02 0.00 0.00 31.44 30.86 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 0.47 -2.06 -3.20 0.62 0.00 -0.52 -4.95 120.51 110.87 1u9k n ALA 94 Ca 0.10 -0.25 -0.13 0.00 0.00 0.00 0.00 53.44 53.16 1u9k n ALA 94 Cb 0.38 -1.76 -0.15 0.00 0.00 0.00 0.00 19.45 17.92 1u9k n ALA 94 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1u9k s MET 95 N -6.40 0.00 -0.18 0.00 0.00 -0.90 -1.86 119.30 109.96 1u9k s MET 95 Ca 0.04 0.09 -0.02 0.00 0.00 0.00 0.00 55.69 55.80 1u9k s MET 95 Cb -0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 34.83 34.72 1u9k s MET 95 CO 0.87 -0.06 -0.09 -1.17 0.00 0.00 0.00 175.02 174.57 1u9k s LEU 96 N 0.40 2.79 -0.13 4.11 2.96 -0.31 -0.26 118.68 128.24 1u9k s LEU 96 Ca -0.03 -0.36 -0.02 0.00 -0.22 0.00 0.00 54.13 53.50 1u9k s LEU 96 Cb -0.05 -1.67 -0.02 0.00 0.50 0.00 0.00 46.19 44.95 1u9k s LEU 96 CO -0.01 0.07 -0.07 -1.58 -1.32 0.00 0.00 176.35 173.44 1u9k s GLN 97 N 0.93 3.36 -0.09 1.98 0.74 0.45 -0.55 119.66 126.47 1u9k s GLN 97 Ca -0.02 -0.57 0.00 0.00 0.05 0.00 0.00 55.36 54.83 1u9k s GLN 97 Cb -0.15 -2.76 -0.03 0.00 1.10 0.00 0.00 33.01 31.18 1u9k s GLN 97 CO -0.00 0.35 -0.08 0.08 -0.55 0.00 0.00 175.29 175.09 1u9k s VAL 98 N 0.05 3.57 -0.03 1.34 1.01 0.24 0.08 120.40 126.67 1u9k s VAL 98 Ca -0.02 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.49 1u9k s VAL 98 Cb -0.14 -2.47 -0.00 0.00 0.00 0.00 0.00 36.38 33.77 1u9k s VAL 98 CO 0.03 0.57 -0.14 -1.10 0.00 0.00 0.00 175.10 174.46 1u9k s GLN 99 N -0.50 1.40 -0.16 2.72 -0.21 -0.02 -1.31 119.66 121.58 1u9k s GLN 99 Ca 0.07 -0.51 0.01 0.00 0.02 0.00 0.00 55.36 54.95 1u9k s GLN 99 Cb -0.12 -1.27 0.02 0.00 1.00 0.00 0.00 33.01 32.64 1u9k s GLN 99 CO 0.02 0.24 -0.19 -1.64 -2.12 0.00 0.00 175.29 171.60 1u9k s MET 100 N -0.05 2.81 0.23 2.91 -1.94 -0.47 -0.69 119.30 122.10 1u9k s MET 100 Ca -0.00 -0.76 0.04 0.00 -1.71 0.00 0.00 55.69 53.25 1u9k s MET 100 Cb -0.09 -2.40 -0.03 0.00 2.01 0.00 0.00 34.83 34.32 1u9k s MET 100 CO 0.01 -0.16 0.37 0.95 -0.01 0.00 0.00 175.02 176.17 1u9k s THR 101 N 1.20 5.25 -1.23 2.05 -4.23 -0.52 -0.87 115.64 117.30 1u9k s THR 101 Ca 0.01 -0.88 -0.09 0.00 -1.18 0.00 0.00 61.69 59.55 1u9k s THR 101 Cb -0.14 -3.84 -0.01 0.00 1.34 0.00 0.00 72.50 69.85 1u9k s THR 101 CO -0.09 -0.31 0.71 -0.67 -0.54 0.00 0.00 174.62 173.72 1u9k n ASP 102 N -1.29 -3.26 -4.73 3.99 2.03 -1.10 -4.84 116.55 107.35 1u9k n ASP 102 Ca -0.08 -0.92 -0.41 0.00 0.52 0.00 0.00 54.79 53.90 1u9k n ASP 102 Cb 0.56 -3.75 0.00 0.00 -0.72 0.00 0.00 41.12 37.22 1u9k n ASP 102 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1u9k n LEU 103 N -4.15 4.22 -4.57 -2.67 4.77 -0.37 -4.60 117.00 109.64 1u9k n LEU 103 Ca -0.20 1.17 -0.25 0.00 -0.03 0.00 0.00 56.01 56.71 1u9k n LEU 103 Cb 0.64 -1.54 -0.09 0.00 -2.33 0.00 0.00 43.42 40.10 1u9k n LEU 103 CO 0.68 -0.33 -0.40 -1.10 -1.33 0.00 0.00 177.39 174.91 1u9k s GLN 104 N -2.11 2.03 0.33 3.23 -1.52 -1.26 -0.40 119.66 119.96 1u9k s GLN 104 Ca 0.57 -1.46 0.03 0.00 -1.95 0.00 0.00 55.36 52.56 1u9k s GLN 104 Cb -0.51 -2.05 0.62 0.00 -0.22 0.00 0.00 33.01 30.84 1u9k s GLN 104 CO 0.61 0.38 1.93 0.28 -0.25 0.00 0.00 175.29 178.24 1u9k h VAL 105 N 2.33 1.04 0.00 1.09 2.07 -1.88 -0.26 116.25 120.64 1u9k h VAL 105 Ca -0.44 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1u9k h VAL 105 Cb 1.23 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1u9k h VAL 105 CO 0.57 0.17 0.00 0.35 0.02 0.00 0.00 177.57 178.68 1u9k n THR 106 N -4.49 1.18 0.44 2.57 -2.24 -1.26 -1.74 114.28 108.74 1u9k n THR 106 Ca 0.13 0.31 0.13 0.00 -2.27 0.00 0.00 64.05 62.34 1u9k n THR 106 Cb 0.21 -1.14 0.48 0.00 -2.10 0.00 0.00 70.33 67.78 1u9k n THR 106 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1u9k h ASP 107 N 0.00 0.00 -2.00 3.42 3.32 -1.43 -3.46 116.42 116.27 1u9k h ASP 107 Ca 0.00 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.41 1u9k h ASP 107 Cb 0.21 0.00 0.07 0.00 0.22 0.00 0.00 39.33 39.82 1u9k h ASP 107 CO 0.00 0.00 0.48 -1.20 -1.72 0.00 0.00 179.24 176.80 1u9k n SER 108 N -2.32 1.96 0.00 6.45 7.64 -0.71 -4.87 113.62 121.77 1u9k n SER 108 Ca 0.03 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.03 1u9k n SER 108 Cb 0.29 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.22 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 2.47 -1.88 3.74 0.23 0.00 -0.32 -5.01 105.19 104.42 1u9k n GLY 109 Ca 0.16 -1.21 -0.35 0.00 0.00 0.00 0.00 46.02 44.62 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 4.04 0.12 0.99 2.96 -1.26 -0.86 118.68 124.67 1u9k s LEU 110 Ca 0.00 0.25 0.01 0.00 -0.22 0.00 0.00 54.13 54.17 1u9k s LEU 110 Cb 0.00 -2.00 -0.04 0.00 0.50 0.00 0.00 46.19 44.65 1u9k s LEU 110 CO 0.00 0.29 -0.04 -0.31 -1.32 0.00 0.00 176.35 174.97 1u9k s TYR 111 N -0.30 0.96 0.08 5.38 1.51 -0.34 0.21 117.35 124.85 1u9k s TYR 111 Ca 0.10 -0.97 -0.16 0.00 -1.01 0.00 0.00 57.07 55.03 1u9k s TYR 111 Cb -0.12 -0.56 0.03 0.00 -0.11 0.00 0.00 41.96 41.21 1u9k s TYR 111 CO 0.01 -0.20 0.38 -0.98 -1.11 0.00 0.00 175.55 173.65 1u9k s ARG 112 N -3.87 0.95 0.00 -0.62 1.70 -0.28 -1.19 118.95 115.64 1u9k s ARG 112 Ca 0.16 -0.55 -0.13 0.00 -0.47 0.00 0.00 55.73 54.73 1u9k s ARG 112 Cb 0.06 0.42 -0.06 0.00 -0.57 0.00 0.00 34.95 34.80 1u9k s ARG 112 CO -0.02 -0.34 0.38 0.00 -1.08 0.00 0.00 175.30 174.24 1u9k s VAL 114 N -1.12 0.15 -0.07 0.00 -7.23 0.21 -1.21 120.40 111.13 1u9k s VAL 114 Ca 0.24 -1.26 -0.30 0.00 -1.81 0.00 0.00 61.98 58.85 1u9k s VAL 114 Cb -0.16 -0.94 -0.03 0.00 0.56 0.00 0.00 36.38 35.82 1u9k s VAL 114 CO 0.13 -0.70 1.24 -0.63 -0.31 0.00 0.00 175.10 174.84 1u9k s ILE 115 N -2.75 4.19 -0.30 -0.62 -1.09 0.72 -0.97 121.20 120.40 1u9k s ILE 115 Ca -0.04 1.51 -0.07 0.00 -2.23 0.00 0.00 60.65 59.82 1u9k s ILE 115 Cb -0.00 -3.97 0.01 0.00 -1.58 0.00 0.00 42.46 36.91 1u9k s ILE 115 CO -0.05 -0.03 0.09 -0.47 -1.23 0.00 0.00 174.94 173.24 1u9k s TYR 116 N 2.55 3.15 -0.44 3.97 5.04 0.01 -1.68 117.35 129.95 1u9k s TYR 116 Ca 0.57 -0.94 0.07 0.00 -2.44 0.00 0.00 57.07 54.33 1u9k s TYR 116 Cb -0.25 -2.27 0.29 0.00 0.35 0.00 0.00 41.96 40.09 1u9k s TYR 116 CO 0.21 -0.57 0.90 -2.39 -1.34 0.00 0.00 175.55 172.36 1u9k n HIS 117 N 4.88 -2.08 -2.17 4.97 1.44 -1.26 -4.08 115.22 116.91 1u9k n HIS 117 Ca -0.14 -2.54 -0.35 0.00 -2.01 0.00 0.00 57.72 52.68 1u9k n HIS 117 Cb 0.48 0.95 0.01 0.00 0.12 0.00 0.00 29.99 31.55 1u9k n HIS 117 CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 1u9k s PRO 118 N -0.33 3.26 0.00 -1.40 0.04 -1.26 -0.98 135.00 134.34 1u9k s PRO 118 Ca 0.30 1.57 0.11 0.00 0.04 0.00 0.00 61.00 63.03 1u9k s PRO 118 Cb 0.27 -2.00 0.58 0.00 0.04 0.00 0.00 34.50 33.39 1u9k s PRO 118 CO -0.12 -0.92 1.39 -0.35 0.04 0.00 0.00 177.00 177.04 1u9k n PRO 119 N -1.49 1.19 -1.77 0.56 -0.04 -1.26 -5.09 135.00 127.09 1u9k n PRO 119 Ca 0.11 -0.29 -0.36 0.00 -0.04 0.00 0.00 63.50 62.92 1u9k n PRO 119 Cb 0.51 -1.20 0.06 0.00 -0.04 0.00 0.00 33.50 32.83 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 -1.31 4.71 0.32 3.54 0.02 -0.15 -4.95 114.94 117.12 1u9k s ASN 120 Ca 0.18 2.51 -0.29 0.00 -1.02 0.00 0.00 52.86 54.24 1u9k s ASN 120 Cb 0.09 -2.61 -0.11 0.00 0.02 0.00 0.00 41.25 38.64 1u9k s ASN 120 CO 0.14 -1.92 1.56 -1.81 0.02 0.00 0.00 177.10 175.08 1u9k s ASP 121 N -1.56 6.36 0.62 -1.22 1.01 -1.26 -4.58 116.67 116.03 1u9k s ASP 121 Ca 0.80 2.99 -0.19 0.00 0.71 0.00 0.00 52.55 56.85 1u9k s ASP 121 Cb -0.34 -2.65 -0.02 0.00 1.01 0.00 0.00 42.92 40.92 1u9k s ASP 121 CO 0.39 -0.90 1.31 -2.84 0.21 0.00 0.00 175.17 173.33 1u9k s PRO 122 N -1.06 2.70 -0.26 8.23 0.02 -1.26 -4.83 135.00 138.54 1u9k s PRO 122 Ca 0.60 2.10 -0.13 0.00 0.02 0.00 0.00 61.00 63.58 1u9k s PRO 122 Cb -0.47 -1.94 -0.04 0.00 0.02 0.00 0.00 34.50 32.06 1u9k s PRO 122 CO 0.53 -1.49 0.30 0.08 -0.33 0.00 0.00 177.00 176.09 1u9k s VAL 123 N -1.38 5.24 -0.10 3.83 1.01 -0.68 -4.93 120.40 123.41 1u9k s VAL 123 Ca 0.80 0.43 -0.30 0.00 0.00 0.00 0.00 61.98 62.91 1u9k s VAL 123 Cb -0.38 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.35 1u9k s VAL 123 CO 0.41 0.23 1.14 -0.69 0.00 0.00 0.00 175.10 176.19 1u9k s VAL 124 N 1.70 4.44 0.40 2.92 1.01 -1.26 -0.20 120.40 129.41 1u9k s VAL 124 Ca 0.12 1.74 -0.07 0.00 0.00 0.00 0.00 61.98 63.78 1u9k s VAL 124 Cb -0.15 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 32.06 1u9k s VAL 124 CO 0.09 -0.03 0.71 -0.76 0.00 0.00 0.00 175.10 175.11 1u9k s LEU 125 N 2.38 3.84 0.00 3.92 1.43 -0.35 -4.93 118.68 124.98 1u9k s LEU 125 Ca 0.53 0.92 0.00 0.00 -1.03 0.00 0.00 54.13 54.54 1u9k s LEU 125 Cb -0.22 -3.80 0.00 0.00 0.03 0.00 0.00 46.19 42.20 1u9k s LEU 125 CO 0.19 -0.40 0.00 0.33 0.23 0.00 0.00 176.35 176.70 1u9k n PHE 126 N -1.55 0.00 -3.92 0.29 7.35 -1.26 -4.56 117.46 113.82 1u9k n PHE 126 Ca 0.00 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.61 1u9k n PHE 126 Cb 0.54 0.01 -0.08 0.00 0.35 0.00 0.00 39.48 40.30 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 0.22 0.58 -5.13 -3.43 -1.26 -5.11 115.29 101.16 1u9k s HIS 127 Ca 0.00 -0.62 -0.20 0.00 -0.80 0.00 0.00 55.06 53.44 1u9k s HIS 127 Cb 0.00 -0.14 -0.05 0.00 -1.43 0.00 0.00 32.58 30.96 1u9k s HIS 127 CO 0.00 -0.45 1.13 -2.30 -2.00 0.00 0.00 174.74 171.12 1u9k n PRO 128 N 0.27 1.19 -3.91 -0.38 -0.02 -1.26 -4.78 135.00 126.12 1u9k n PRO 128 Ca -0.16 0.45 -0.35 0.00 -2.02 0.00 0.00 63.50 61.42 1u9k n PRO 128 Cb 0.61 -2.32 -0.14 0.00 -0.02 0.00 0.00 33.50 31.62 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 -1.41 3.22 -0.56 -1.45 1.01 -0.33 -1.14 120.40 119.74 1u9k s VAL 129 Ca 0.75 -0.80 -0.19 0.00 0.00 0.00 0.00 61.98 61.73 1u9k s VAL 129 Cb -0.42 -2.59 0.09 0.00 0.00 0.00 0.00 36.38 33.45 1u9k s VAL 129 CO 0.47 0.25 0.69 -0.60 0.00 0.00 0.00 175.10 175.91 1u9k s ARG 130 N 1.40 3.07 -0.22 2.72 6.06 0.20 -1.20 118.95 131.00 1u9k s ARG 130 Ca 0.02 -1.15 -0.22 0.00 -2.50 0.00 0.00 55.73 51.89 1u9k s ARG 130 Cb -0.16 -4.21 -0.02 0.00 0.06 0.00 0.00 34.95 30.63 1u9k s ARG 130 CO -0.03 -1.44 0.69 -1.17 -2.50 0.00 0.00 175.30 170.85 1u9k s LEU 131 N 2.73 4.11 -0.25 -0.88 2.96 -0.04 -0.51 118.68 126.80 1u9k s LEU 131 Ca 0.13 0.88 0.03 0.00 -0.22 0.00 0.00 54.13 54.95 1u9k s LEU 131 Cb -0.22 -2.98 0.06 0.00 0.50 0.00 0.00 46.19 43.55 1u9k s LEU 131 CO 0.08 -0.36 -0.11 -0.69 -1.32 0.00 0.00 176.35 173.95 1u9k s VAL 132 N 2.29 2.14 -0.16 1.68 1.01 -0.52 -1.18 120.40 125.67 1u9k s VAL 132 Ca 0.30 -1.58 -0.04 0.00 0.00 0.00 0.00 61.98 60.66 1u9k s VAL 132 Cb -0.16 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 1u9k s VAL 132 CO 0.09 0.00 -0.04 -0.69 0.00 0.00 0.00 175.10 174.47 1u9k s VAL 133 N 1.12 3.85 -0.11 2.92 1.01 -1.26 -1.17 120.40 126.76 1u9k s VAL 133 Ca -0.08 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.54 1u9k s VAL 133 Cb -0.20 -2.69 0.01 0.00 0.00 0.00 0.00 36.38 33.51 1u9k s VAL 133 CO -0.06 0.49 0.53 0.35 0.00 0.00 0.00 175.10 176.41