#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kxy s GLU 18 N 0.00 3.88 0.22 -0.78 -1.05 -1.26 -5.04 118.70 114.68 3kxy s GLU 18 Ca 0.00 0.72 -0.30 0.00 -0.15 0.00 0.00 54.97 55.24 3kxy s GLU 18 Cb 0.00 -2.27 -0.09 0.00 -0.44 0.00 0.00 34.13 31.33 3kxy s GLU 18 CO 0.00 -0.13 1.09 0.00 0.95 0.00 0.00 175.26 177.17 3kxy s ALA 19 N -2.46 3.39 -0.28 -0.84 0.00 -1.26 -5.03 121.76 115.28 3kxy s ALA 19 Ca 0.55 0.84 -0.00 0.00 0.00 0.00 0.00 51.96 53.35 3kxy s ALA 19 Cb -0.10 -3.33 0.05 0.00 0.00 0.00 0.00 23.12 19.73 3kxy s ALA 19 CO 0.30 -0.16 -0.05 0.08 0.00 0.00 0.00 175.76 175.93 3kxy s VAL 20 N -0.69 2.70 0.90 0.00 1.01 -1.26 -4.61 120.40 118.45 3kxy s VAL 20 Ca 0.47 -1.39 -0.10 0.00 0.00 0.00 0.00 61.98 60.95 3kxy s VAL 20 Cb -0.30 -2.53 0.19 0.00 0.00 0.00 0.00 36.38 33.74 3kxy s VAL 20 CO 0.37 -0.02 1.22 -0.83 0.00 0.00 0.00 175.10 175.85 3kxy s GLY 21 N 1.22 1.79 -0.12 4.51 0.00 0.29 -4.81 107.32 110.20 3kxy s GLY 21 Ca -0.05 -1.52 -0.05 0.00 0.00 0.00 0.00 44.72 43.10 3kxy s GLY 21 CO -0.03 -0.78 0.25 -1.58 0.00 0.00 0.00 173.10 170.97 3kxy s HIS 22 N -3.65 -0.40 -0.13 1.90 2.46 -1.26 -0.25 115.29 113.96 3kxy s HIS 22 Ca 0.73 0.93 -0.03 0.00 0.47 0.00 0.00 55.06 57.17 3kxy s HIS 22 Cb -0.03 -0.05 0.04 0.00 -0.13 0.00 0.00 32.58 32.42 3kxy s HIS 22 CO 0.50 -0.34 0.03 0.12 -2.47 0.00 0.00 174.74 172.59 3kxy s PHE 23 N 2.32 0.65 -1.27 3.88 5.36 0.34 -4.90 117.98 124.35 3kxy s PHE 23 Ca 0.00 -0.39 -0.04 0.00 -0.96 0.00 0.00 56.93 55.55 3kxy s PHE 23 Cb -0.12 -0.83 -0.01 0.00 -0.34 0.00 0.00 43.02 41.73 3kxy s PHE 23 CO -0.08 -0.44 0.70 0.39 -1.46 0.00 0.00 175.22 174.33 3kxy n GLU 24 N 5.15 -4.01 -1.03 10.12 -0.58 -1.26 -1.66 120.64 127.37 3kxy n GLU 24 Ca -0.07 0.59 -0.01 0.00 -0.42 0.00 0.00 57.16 57.25 3kxy n GLU 24 Cb 0.49 -5.01 -0.00 0.00 -0.57 0.00 0.00 31.44 26.34 3kxy n GLU 24 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kxy n GLY 25 N -1.60 0.44 3.27 0.62 0.00 -1.26 -5.00 105.19 101.66 3kxy n GLY 25 Ca -0.25 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 3kxy n GLY 25 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kxy s ARG 26 N -0.95 2.27 0.33 1.61 0.52 -0.67 -5.12 118.95 116.94 3kxy s ARG 26 Ca 0.00 -0.88 -0.27 0.00 -0.52 0.00 0.00 55.73 54.05 3kxy s ARG 26 Cb 0.00 -2.04 -0.09 0.00 0.52 0.00 0.00 34.95 33.34 3kxy s ARG 26 CO 0.00 0.45 1.08 -1.54 0.02 0.00 0.00 175.30 175.31 3kxy s SER 27 N -0.35 7.03 -0.17 0.23 1.04 -1.26 -0.50 113.70 119.73 3kxy s SER 27 Ca 0.02 2.19 -0.02 0.00 0.48 0.00 0.00 55.95 58.62 3kxy s SER 27 Cb -0.12 -2.61 0.05 0.00 0.10 0.00 0.00 66.02 63.44 3kxy s SER 27 CO 0.01 -0.30 0.01 -0.69 0.98 0.00 0.00 173.24 173.25 3kxy s VAL 28 N -1.36 0.65 0.33 5.02 1.01 0.65 -4.87 120.40 121.83 3kxy s VAL 28 Ca 0.50 -0.48 0.08 0.00 0.00 0.00 0.00 61.98 62.08 3kxy s VAL 28 Cb -0.28 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 3kxy s VAL 28 CO 0.36 -0.06 0.14 0.42 0.00 0.00 0.00 175.10 175.96 3kxy s THR 29 N 1.81 3.17 -0.08 3.92 -4.23 -1.26 0.11 115.64 119.08 3kxy s THR 29 Ca 0.00 -1.68 -0.14 0.00 -1.18 0.00 0.00 61.69 58.69 3kxy s THR 29 Cb -0.16 -3.00 -0.05 0.00 1.34 0.00 0.00 72.50 70.63 3kxy s THR 29 CO -0.07 -0.21 0.36 -0.60 -0.54 0.00 0.00 174.62 173.56 3kxy s ARG 30 N -3.84 4.04 0.22 3.99 3.52 -1.26 -5.01 118.95 120.60 3kxy s ARG 30 Ca 0.37 0.28 0.09 0.00 -0.13 0.00 0.00 55.73 56.35 3kxy s ARG 30 Cb -0.03 -3.31 -0.04 0.00 -1.56 0.00 0.00 34.95 30.00 3kxy s ARG 30 CO 0.23 0.48 -0.08 0.00 -0.81 0.00 0.00 175.30 175.12 3kxy s ALA 31 N -0.35 2.98 0.31 6.12 0.00 -1.26 -5.11 121.76 124.45 3kxy s ALA 31 Ca 0.21 -1.58 -0.28 0.00 0.00 0.00 0.00 51.96 50.31 3kxy s ALA 31 Cb -0.15 -0.69 -0.09 0.00 0.00 0.00 0.00 23.12 22.19 3kxy s ALA 31 CO 0.09 0.38 1.13 0.00 0.00 0.00 0.00 175.76 177.36 3kxy s ALA 32 N -1.98 3.36 -0.00 0.00 0.00 -1.26 -4.98 121.76 116.89 3kxy s ALA 32 Ca 0.27 0.93 -0.25 0.00 0.00 0.00 0.00 51.96 52.91 3kxy s ALA 32 Cb -0.08 -3.35 -0.19 0.00 0.00 0.00 0.00 23.12 19.51 3kxy s ALA 32 CO 0.16 -0.27 1.34 -0.39 0.00 0.00 0.00 175.76 176.60 3kxy h VAL 33 N 2.91 1.28 -6.42 0.00 -1.51 -2.07 -3.48 116.25 106.96 3kxy h VAL 33 Ca -0.47 -0.93 -0.42 0.00 -1.23 0.00 0.00 66.70 63.65 3kxy h VAL 33 Cb 1.22 1.90 0.02 0.00 -2.13 0.00 0.00 31.29 32.30 3kxy h VAL 33 CO 0.66 0.24 -0.87 0.54 -1.23 0.00 0.00 177.57 176.91 3kxy n ARG 34 N -4.91 -1.16 -0.01 5.19 1.74 -1.26 -4.88 116.66 111.37 3kxy n ARG 34 Ca -0.08 0.64 -0.09 0.00 -0.77 0.00 0.00 57.85 57.55 3kxy n ARG 34 Cb 0.21 -3.41 -0.03 0.00 -1.02 0.00 0.00 32.46 28.22 3kxy n ARG 34 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3kxy h GLY 35 N -1.12 0.03 2.00 -0.13 0.00 -1.94 -2.26 103.07 99.65 3kxy h GLY 35 Ca -0.57 0.12 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3kxy h GLY 35 CO 0.42 -0.11 0.00 -2.09 0.00 0.00 0.00 176.54 174.76 3kxy h GLU 36 N -0.09 0.00 0.00 4.80 4.81 -1.96 -2.71 114.58 119.42 3kxy h GLU 36 Ca 0.09 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3kxy h GLU 36 Cb 0.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.60 3kxy h GLU 36 CO -0.20 0.00 0.00 -3.47 -0.73 0.00 0.00 179.01 174.61 3kxy n ASP 37 N -2.50 0.00 -4.12 1.04 2.03 -0.85 -4.77 116.55 107.38 3kxy n ASP 37 Ca 0.02 0.24 -0.09 0.00 0.52 0.00 0.00 54.79 55.47 3kxy n ASP 37 Cb 0.25 -0.36 -0.10 0.00 -0.72 0.00 0.00 41.12 40.19 3kxy n ASP 37 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kxy s ARG 38 N -2.72 0.92 0.12 -0.67 1.70 -1.02 -5.12 118.95 112.16 3kxy s ARG 38 Ca 0.11 -1.39 -0.35 0.00 -0.47 0.00 0.00 55.73 53.63 3kxy s ARG 38 Cb 0.09 0.25 -0.17 0.00 -0.57 0.00 0.00 34.95 34.56 3kxy s ARG 38 CO 0.22 -0.26 1.15 0.45 -1.08 0.00 0.00 175.30 175.78 3kxy n SER 39 N -0.09 1.04 -4.59 -2.89 2.88 -1.26 -4.98 113.62 103.72 3kxy n SER 39 Ca -0.07 1.14 -0.28 0.00 -1.33 0.00 0.00 58.87 58.34 3kxy n SER 39 Cb 0.63 -1.14 -0.10 0.00 -0.75 0.00 0.00 64.21 62.85 3kxy n SER 39 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3kxy s SER 40 N 0.06 3.62 0.17 -3.46 1.04 -1.26 -5.04 113.70 108.82 3kxy s SER 40 Ca 0.78 -1.42 -0.08 0.00 0.48 0.00 0.00 55.95 55.71 3kxy s SER 40 Cb -0.95 -0.18 0.04 0.00 0.10 0.00 0.00 66.02 65.02 3kxy s SER 40 CO 0.52 -0.55 1.53 0.58 0.98 0.00 0.00 173.24 176.30 3kxy h VAL 41 N 1.77 1.28 -0.25 5.02 2.07 -2.00 -2.94 116.25 121.20 3kxy h VAL 41 Ca -0.43 -1.49 -0.05 0.00 0.82 0.00 0.00 66.70 65.54 3kxy h VAL 41 Cb 1.25 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 3kxy h VAL 41 CO 0.77 0.50 -0.09 0.00 0.02 0.00 0.00 177.57 178.77 3kxy h ALA 42 N 0.89 1.40 -0.25 1.67 0.00 -1.99 -1.88 119.26 119.09 3kxy h ALA 42 Ca 0.07 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 3kxy h ALA 42 Cb 0.90 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3kxy h ALA 42 CO 0.08 0.42 -0.23 0.78 0.00 0.00 0.00 179.25 180.30 3kxy h GLY 43 N 0.82 0.51 1.20 0.00 0.00 -1.93 -2.24 103.07 101.43 3kxy h GLY 43 Ca 0.08 -0.40 -0.21 0.00 0.00 0.00 0.00 47.33 46.79 3kxy h GLY 43 CO 0.02 0.37 -0.72 -2.00 0.00 0.00 0.00 176.54 174.21 3kxy h LEU 44 N 0.42 0.93 -1.02 3.11 6.46 -1.29 -2.72 115.31 121.21 3kxy h LEU 44 Ca 0.07 -0.58 0.03 0.00 -0.12 0.00 0.00 57.88 57.27 3kxy h LEU 44 Cb 0.63 -0.27 -0.06 0.00 -0.73 0.00 0.00 40.66 40.23 3kxy h LEU 44 CO 0.04 1.38 0.66 0.00 -0.62 0.00 0.00 178.44 179.91 3kxy h ALA 45 N 0.61 1.33 0.00 1.25 0.00 -1.11 0.04 119.26 121.38 3kxy h ALA 45 Ca -0.03 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 3kxy h ALA 45 Cb 1.34 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3kxy h ALA 45 CO 0.15 0.59 -0.39 0.00 0.00 0.00 0.00 179.25 179.60 3kxy h ARG 46 N 1.30 0.00 -0.01 0.00 3.08 -1.40 -2.04 114.38 115.31 3kxy h ARG 46 Ca 0.39 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 60.22 3kxy h ARG 46 Cb -0.05 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.00 3kxy h ARG 46 CO -0.11 0.39 -0.91 2.35 -1.07 0.00 0.00 179.97 180.63 3kxy h TRP 47 N 0.00 0.56 0.05 3.04 7.01 -0.91 -2.83 115.95 122.87 3kxy h TRP 47 Ca -0.00 -0.30 -0.00 0.00 2.11 0.00 0.00 58.89 60.70 3kxy h TRP 47 Cb 0.95 -0.07 0.00 0.00 -2.10 0.00 0.00 29.16 27.95 3kxy h TRP 47 CO 0.00 1.11 -0.02 -0.07 -2.79 0.00 0.00 178.44 176.66 3kxy h LEU 48 N 0.22 -0.06 -2.19 0.65 3.38 -0.91 -2.66 115.31 113.74 3kxy h LEU 48 Ca -0.07 -0.47 0.06 0.00 0.09 0.00 0.00 57.88 57.50 3kxy h LEU 48 Cb 1.53 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.29 3kxy h LEU 48 CO 0.15 0.46 0.22 0.00 0.09 0.00 0.00 178.44 179.36 3kxy h ALA 49 N 0.30 1.89 0.04 1.53 0.00 -1.46 -0.42 119.26 121.13 3kxy h ALA 49 Ca -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3kxy h ALA 49 Cb 0.52 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3kxy h ALA 49 CO 0.01 -0.32 -0.02 -0.09 0.00 0.00 0.00 179.25 178.83 3kxy h ARG 50 N 0.00 -0.05 0.00 0.00 2.43 -1.42 -2.48 114.38 112.87 3kxy h ARG 50 Ca 0.10 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3kxy h ARG 50 Cb 0.53 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 3kxy h ARG 50 CO -0.00 0.62 0.00 -0.91 -1.51 0.00 0.00 179.97 178.17 3kxy h ASN 51 N -0.84 0.00 0.22 -3.80 -0.26 -1.10 -2.98 115.58 106.83 3kxy h ASN 51 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 3kxy h ASN 51 Cb 0.69 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.95 3kxy h ASN 51 CO 0.01 0.00 -1.06 0.55 -1.06 0.00 0.00 177.43 175.87 3kxy n VAL 52 N -2.47 0.06 -1.95 2.81 3.14 -0.21 -4.95 118.33 114.77 3kxy n VAL 52 Ca 0.04 -0.14 -0.42 0.00 -2.96 0.00 0.00 64.34 60.85 3kxy n VAL 52 Cb 0.36 0.50 -0.03 0.00 -1.06 0.00 0.00 33.84 33.61 3kxy n VAL 52 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3kxy s ALA 53 N -3.13 3.75 0.00 1.55 0.00 -0.93 -2.99 121.76 120.00 3kxy s ALA 53 Ca 0.05 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.33 3kxy s ALA 53 Cb 0.15 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.64 3kxy s ALA 53 CO 0.83 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 176.17 3kxy n GLY 54 N 3.78 0.91 3.15 0.00 0.00 -1.26 -5.04 105.19 106.73 3kxy n GLY 54 Ca 0.14 -0.47 0.04 0.00 0.00 0.00 0.00 46.02 45.74 3kxy n GLY 54 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kxy s ASP 55 N -2.45 -1.48 0.64 1.61 2.15 -1.16 -5.16 116.67 110.82 3kxy s ASP 55 Ca 0.00 0.17 -0.12 0.00 0.43 0.00 0.00 52.55 53.03 3kxy s ASP 55 Cb 0.00 1.94 -0.02 0.00 -0.30 0.00 0.00 42.92 44.54 3kxy s ASP 55 CO 0.00 -0.27 1.04 -2.84 -0.17 0.00 0.00 175.17 172.93 3kxy s PRO 56 N 2.85 3.32 -0.28 4.34 0.02 -1.26 -3.41 135.00 140.57 3kxy s PRO 56 Ca 0.12 0.93 0.12 0.00 0.02 0.00 0.00 61.00 62.19 3kxy s PRO 56 Cb -0.09 -2.04 0.66 0.00 0.02 0.00 0.00 34.50 33.05 3kxy s PRO 56 CO -0.26 -0.80 1.66 2.89 -0.33 0.00 0.00 177.00 180.16 3kxy n ARG 57 N -2.67 3.32 0.31 5.54 0.00 -1.26 -4.88 116.66 117.02 3kxy n ARG 57 Ca 0.07 -3.05 0.19 0.00 -0.00 0.00 0.00 57.85 55.06 3kxy n ARG 57 Cb 0.54 -2.07 0.99 0.00 -0.00 0.00 0.00 32.46 31.92 3kxy n ARG 57 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 3kxy h SER 58 N 2.28 0.00 -0.15 2.89 4.64 -1.91 0.23 113.55 121.53 3kxy h SER 58 Ca 0.17 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.35 3kxy h SER 58 Cb 1.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.08 3kxy h SER 58 CO 0.54 0.02 -0.48 -0.33 -0.87 0.00 0.00 176.83 175.71 3kxy h GLU 59 N 0.00 0.59 -0.13 4.77 5.08 -1.80 -1.71 114.58 121.38 3kxy h GLU 59 Ca -0.00 -0.44 -0.12 0.00 -1.00 0.00 0.00 59.36 57.80 3kxy h GLU 59 Cb 0.18 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3kxy h GLU 59 CO 0.00 1.06 -0.45 0.37 -1.00 0.00 0.00 179.01 178.99 3kxy h GLN 60 N 0.24 0.32 0.00 2.33 5.75 -1.47 -1.13 115.11 121.15 3kxy h GLN 60 Ca -0.02 -0.17 -0.09 0.00 -0.15 0.00 0.00 58.65 58.22 3kxy h GLN 60 Cb 1.11 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.65 3kxy h GLN 60 CO 0.10 0.71 -0.44 0.00 -2.65 0.00 0.00 178.83 176.55 3kxy h ALA 61 N 1.27 1.23 -0.04 3.38 0.00 -0.63 -0.67 119.26 123.79 3kxy h ALA 61 Ca 0.02 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 3kxy h ALA 61 Cb 0.89 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 3kxy h ALA 61 CO 0.07 0.55 -0.04 1.25 0.00 0.00 0.00 179.25 181.08 3kxy h LEU 62 N 0.00 0.11 -1.34 0.00 6.46 -0.74 -2.87 115.31 116.93 3kxy h LEU 62 Ca -0.00 -0.49 0.03 0.00 -0.12 0.00 0.00 57.88 57.29 3kxy h LEU 62 Cb 0.80 -0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 40.66 3kxy h LEU 62 CO 0.06 0.57 0.46 1.56 -0.62 0.00 0.00 178.44 180.48 3kxy h GLN 63 N -0.36 0.85 0.00 1.25 1.08 -1.06 -1.33 115.11 115.54 3kxy h GLN 63 Ca 0.01 -0.05 -0.05 0.00 -1.45 0.00 0.00 58.65 57.11 3kxy h GLN 63 Cb 0.54 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.78 3kxy h GLN 63 CO 0.01 0.56 -0.22 -0.09 -0.95 0.00 0.00 178.83 178.14 3kxy h ARG 64 N 0.87 0.00 0.23 1.46 2.43 -1.07 -1.26 114.38 117.05 3kxy h ARG 64 Ca 0.27 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 59.13 3kxy h ARG 64 Cb 0.02 0.00 0.04 0.00 -0.42 0.00 0.00 29.97 29.61 3kxy h ARG 64 CO -0.07 0.22 -1.37 -0.07 -1.51 0.00 0.00 179.97 177.17 3kxy h LEU 65 N 0.00 0.80 -1.49 3.80 4.07 -1.07 -2.93 115.31 118.49 3kxy h LEU 65 Ca -0.00 -0.92 -0.00 0.00 0.08 0.00 0.00 57.88 57.04 3kxy h LEU 65 Cb 0.44 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.90 3kxy h LEU 65 CO 0.03 1.66 0.29 0.00 -1.08 0.00 0.00 178.44 179.34 3kxy h ALA 66 N 0.15 1.62 0.00 1.53 0.00 -0.84 -1.40 119.26 120.32 3kxy h ALA 66 Ca -0.24 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.51 3kxy h ALA 66 Cb 2.08 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.66 3kxy h ALA 66 CO 0.26 0.34 -0.56 -0.44 0.00 0.00 0.00 179.25 178.84 3kxy h ASP 67 N 0.65 0.00 0.00 0.00 3.32 -1.33 -3.47 116.42 115.59 3kxy h ASP 67 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 3kxy h ASP 67 Cb -0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.51 3kxy h ASP 67 CO -0.03 0.56 0.00 0.61 -1.72 0.00 0.00 179.24 178.66 3kxy n GLY 68 N 0.90 1.68 3.42 2.75 0.00 -0.53 -4.98 105.19 108.43 3kxy n GLY 68 Ca 0.01 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.58 3kxy n GLY 68 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kxy s ASP 69 N -3.16 6.78 0.98 1.61 -0.00 -1.18 -4.99 116.67 116.70 3kxy s ASP 69 Ca 0.00 -2.44 -0.05 0.00 -0.00 0.00 0.00 52.55 50.06 3kxy s ASP 69 Cb 0.00 -2.35 0.06 0.00 -0.00 0.00 0.00 42.92 40.63 3kxy s ASP 69 CO 0.00 -0.86 0.37 0.61 -0.00 0.00 0.00 175.17 175.29 3kxy n GLY 70 N 4.77 -1.16 3.70 0.21 0.00 -1.26 -4.81 105.19 106.63 3kxy n GLY 70 Ca 0.24 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.15 3kxy n GLY 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kxy s THR 71 N -1.78 4.45 0.33 2.61 2.01 -1.26 -5.00 115.64 117.00 3kxy s THR 71 Ca 0.21 1.75 -0.28 0.00 0.31 0.00 0.00 61.69 63.68 3kxy s THR 71 Cb -0.01 -4.13 -0.12 0.00 0.01 0.00 0.00 72.50 68.25 3kxy s THR 71 CO 0.15 0.06 1.30 -2.65 -0.69 0.00 0.00 174.62 172.79 3kxy n PRO 72 N 4.61 2.13 0.28 4.92 -0.02 -1.26 -4.86 135.00 140.80 3kxy n PRO 72 Ca 0.09 0.75 0.16 0.00 -2.02 0.00 0.00 63.50 62.47 3kxy n PRO 72 Cb 0.48 -2.34 0.85 0.00 -0.02 0.00 0.00 33.50 32.46 3kxy n PRO 72 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3kxy h LEU 73 N 2.72 0.00 -0.91 2.45 5.85 -1.96 -2.08 115.31 121.38 3kxy h LEU 73 Ca -0.46 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.16 3kxy h LEU 73 Cb 1.28 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 3kxy h LEU 73 CO 0.64 0.07 -0.50 -0.33 -0.34 0.00 0.00 178.44 177.98 3kxy h GLU 74 N 0.00 0.00 0.00 1.25 4.39 -2.04 -2.70 114.58 115.48 3kxy h GLU 74 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3kxy h GLU 74 Cb 0.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 3kxy h GLU 74 CO 0.01 0.50 0.00 0.00 -1.16 0.00 0.00 179.01 178.36 3kxy n ALA 75 N -2.39 2.18 -1.87 3.43 0.00 -0.78 -4.79 120.51 116.28 3kxy n ALA 75 Ca -0.01 -0.07 -0.38 0.00 0.00 0.00 0.00 53.44 52.98 3kxy n ALA 75 Cb 0.54 -1.43 -0.06 0.00 0.00 0.00 0.00 19.45 18.51 3kxy n ALA 75 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3kxy s ARG 76 N -3.03 4.58 -0.06 0.00 1.81 -1.02 -5.07 118.95 116.16 3kxy s ARG 76 Ca 0.12 1.25 -0.10 0.00 -1.72 0.00 0.00 55.73 55.27 3kxy s ARG 76 Cb 0.16 -3.02 -0.05 0.00 -0.45 0.00 0.00 34.95 31.59 3kxy s ARG 76 CO 0.49 0.42 0.26 0.95 -0.68 0.00 0.00 175.30 176.73 3kxy s THR 77 N -1.40 5.30 0.00 0.02 -4.23 -1.26 -5.05 115.64 109.02 3kxy s THR 77 Ca 0.44 0.46 0.01 0.00 -1.18 0.00 0.00 61.69 61.43 3kxy s THR 77 Cb -0.21 -3.53 -0.01 0.00 1.34 0.00 0.00 72.50 70.09 3kxy s THR 77 CO 0.26 0.59 -0.05 0.54 -0.54 0.00 0.00 174.62 175.42 3kxy s VAL 78 N -1.06 0.36 0.03 2.29 0.11 -1.26 -5.15 120.40 115.72 3kxy s VAL 78 Ca 0.19 -0.36 0.04 0.00 -2.93 0.00 0.00 61.98 58.93 3kxy s VAL 78 Cb -0.14 -0.34 -0.02 0.00 -1.53 0.00 0.00 36.38 34.35 3kxy s VAL 78 CO 0.08 -0.00 -0.13 0.00 -3.33 0.00 0.00 175.10 171.72 3kxy s ARG 79 N -0.39 0.89 0.55 1.54 1.70 -1.26 -5.14 118.95 116.84 3kxy s ARG 79 Ca -0.01 -0.69 -0.19 0.00 -0.47 0.00 0.00 55.73 54.37 3kxy s ARG 79 Cb -0.03 -0.87 -0.06 0.00 -0.57 0.00 0.00 34.95 33.42 3kxy s ARG 79 CO -0.00 0.22 1.14 0.50 -1.08 0.00 0.00 175.30 176.08 3kxy s ARG 80 N -1.01 3.30 0.00 3.89 3.52 -1.26 -5.36 118.95 122.04 3kxy s ARG 80 Ca 0.01 1.65 0.00 0.00 -0.13 0.00 0.00 55.73 57.26 3kxy s ARG 80 Cb -0.07 -2.00 0.00 0.00 -1.56 0.00 0.00 34.95 31.32 3kxy s ARG 80 CO 0.01 -0.90 0.00 -2.13 -0.81 0.00 0.00 175.30 171.47