#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k1e s PRO 11 N 0.00 1.58 0.18 2.98 0.02 -1.26 -5.07 135.00 133.43 3k1e s PRO 11 Ca 0.00 1.66 -0.31 0.00 0.02 0.00 0.00 61.00 62.37 3k1e s PRO 11 Cb 0.00 -1.78 -0.10 0.00 0.02 0.00 0.00 34.50 32.64 3k1e s PRO 11 CO 0.00 -2.24 1.53 -2.14 -0.33 0.00 0.00 177.00 173.82 3k1e s PRO 12 N -4.29 4.23 0.29 5.54 0.02 -1.26 -4.89 135.00 134.64 3k1e s PRO 12 Ca 0.71 2.33 0.02 0.00 0.02 0.00 0.00 61.00 64.08 3k1e s PRO 12 Cb -0.26 -3.15 0.71 0.00 0.02 0.00 0.00 34.50 31.82 3k1e s PRO 12 CO 0.52 -0.56 1.64 -1.35 -0.33 0.00 0.00 177.00 176.92 3k1e h PRO 13 N 6.41 0.18 -0.17 5.54 0.11 -2.00 -1.31 132.00 140.77 3k1e h PRO 13 Ca -0.43 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 3k1e h PRO 13 Cb 1.21 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3k1e h PRO 13 CO 0.88 0.12 -0.03 1.05 -0.21 0.00 0.00 178.00 179.82 3k1e h GLU 14 N 0.19 0.24 -0.11 1.05 9.09 -2.00 -1.22 114.58 121.82 3k1e h GLU 14 Ca 0.55 -0.04 -0.06 0.00 0.05 0.00 0.00 59.36 59.86 3k1e h GLU 14 Cb 1.12 -0.04 -0.00 0.00 -1.65 0.00 0.00 28.75 28.18 3k1e h GLU 14 CO -0.67 0.29 -0.18 0.35 0.05 0.00 0.00 179.01 178.85 3k1e h PHE 15 N 0.24 0.39 -0.79 2.06 3.57 -1.62 -1.81 116.94 118.96 3k1e h PHE 15 Ca 0.06 -0.13 0.12 0.00 3.53 0.00 0.00 57.97 61.55 3k1e h PHE 15 Cb 0.21 -0.07 -0.09 0.00 2.79 0.00 0.00 35.95 38.79 3k1e h PHE 15 CO 0.00 0.78 0.40 -0.07 -2.23 0.00 0.00 178.31 177.19 3k1e h LEU 16 N -0.12 0.49 -0.26 0.59 3.38 -1.12 -1.20 115.31 117.07 3k1e h LEU 16 Ca 0.01 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 3k1e h LEU 16 Cb 0.75 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 3k1e h LEU 16 CO 0.04 0.23 0.03 -0.08 0.09 0.00 0.00 178.44 178.75 3k1e h GLU 17 N 0.61 0.44 -0.29 1.13 4.81 -1.21 -2.97 114.58 117.09 3k1e h GLU 17 Ca 0.42 -0.12 -0.08 0.00 -0.13 0.00 0.00 59.36 59.44 3k1e h GLU 17 Cb 0.54 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 3k1e h GLU 17 CO -0.33 0.57 -0.18 0.00 -0.73 0.00 0.00 179.01 178.34 3k1e h ALA 18 N 0.85 1.15 0.00 2.92 0.00 -0.78 -2.95 119.26 120.44 3k1e h ALA 18 Ca 0.08 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 3k1e h ALA 18 Cb 0.36 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3k1e h ALA 18 CO 0.01 0.53 -0.40 0.52 0.00 0.00 0.00 179.25 179.91 3k1e h MET 19 N 0.47 0.00 -0.57 0.00 2.86 -1.24 -3.38 114.93 113.07 3k1e h MET 19 Ca 0.08 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 57.83 3k1e h MET 19 Cb 0.58 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 32.13 3k1e h MET 19 CO 0.04 0.40 -0.27 -0.22 1.06 0.00 0.00 176.91 177.92 3k1e h LYS 20 N 0.00 -0.12 0.00 1.72 1.63 -1.35 0.69 116.57 119.14 3k1e h LYS 20 Ca -0.00 0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.77 3k1e h LYS 20 Cb 1.12 0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.78 3k1e h LYS 20 CO 0.05 -0.08 -0.16 -1.00 -3.45 0.00 0.00 179.45 174.81 3k1e h PRO 21 N -0.12 0.00 -0.12 1.90 0.13 -1.79 -1.71 132.00 130.29 3k1e h PRO 21 Ca 0.25 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.26 3k1e h PRO 21 Cb 0.52 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.66 3k1e h PRO 21 CO -0.65 0.16 -0.38 -0.07 -0.23 0.00 0.00 178.00 176.83 3k1e h LEU 22 N 0.00 0.54 -0.31 1.56 3.38 -1.18 -2.67 115.31 116.63 3k1e h LEU 22 Ca -0.00 -0.61 0.05 0.00 0.09 0.00 0.00 57.88 57.41 3k1e h LEU 22 Cb 0.34 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 3k1e h LEU 22 CO 0.02 1.05 0.02 -0.09 0.09 0.00 0.00 178.44 179.53 3k1e h ARG 23 N 0.05 0.11 -0.08 1.13 2.43 -0.79 -0.95 114.38 116.29 3k1e h ARG 23 Ca -0.01 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.18 3k1e h ARG 23 Cb 1.00 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.49 3k1e h ARG 23 CO 0.08 0.08 -0.12 0.93 -1.51 0.00 0.00 179.97 179.42 3k1e h GLU 24 N 0.12 -0.16 -0.34 0.20 5.08 -1.30 0.85 114.58 119.03 3k1e h GLU 24 Ca 0.15 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.54 3k1e h GLU 24 Cb 0.19 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 3k1e h GLU 24 CO -0.23 -0.11 0.17 0.82 -1.00 0.00 0.00 179.01 178.66 3k1e h ILE 25 N -0.17 0.99 0.03 3.13 2.04 -1.32 -2.83 117.51 119.37 3k1e h ILE 25 Ca 0.07 -0.12 -0.21 0.00 1.00 0.00 0.00 64.86 65.60 3k1e h ILE 25 Cb 0.27 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 3k1e h ILE 25 CO -0.18 0.06 -0.96 0.00 0.00 0.00 0.00 178.15 177.07 3k1e h ILE 27 N 0.09 1.21 -0.43 0.00 2.04 -0.85 -1.33 117.51 118.24 3k1e h ILE 27 Ca -0.06 -0.63 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 3k1e h ILE 27 Cb 1.63 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 38.41 3k1e h ILE 27 CO 0.15 0.24 0.24 0.50 0.00 0.00 0.00 178.15 179.28 3k1e h LYS 28 N 0.64 0.59 -0.54 2.37 3.64 -1.30 -1.08 116.57 120.89 3k1e h LYS 28 Ca 0.16 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.37 3k1e h LYS 28 Cb 0.18 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 3k1e h LYS 28 CO -0.01 0.46 -0.11 -0.22 -2.27 0.00 0.00 179.45 177.29 3k1e h LYS 29 N 0.56 1.01 0.00 1.90 3.64 -1.01 -3.36 116.57 119.31 3k1e h LYS 29 Ca 0.15 -0.37 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 3k1e h LYS 29 Cb 0.03 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 3k1e h LYS 29 CO -0.03 1.05 -1.41 0.25 -2.27 0.00 0.00 179.45 177.04 3k1e n THR 30 N -4.14 0.00 -1.08 1.00 -2.24 -0.52 -5.00 114.28 102.30 3k1e n THR 30 Ca 0.02 -0.29 -0.03 0.00 -2.27 0.00 0.00 64.05 61.48 3k1e n THR 30 Cb 0.40 0.41 -0.01 0.00 -2.10 0.00 0.00 70.33 69.03 3k1e n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k1e n GLY 31 N 1.52 0.56 3.75 3.38 0.00 -0.41 -4.78 105.19 109.20 3k1e n GLY 31 Ca -0.01 -0.30 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 3k1e n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k1e s VAL 32 N -1.91 2.50 0.27 1.61 0.11 -1.26 -4.99 120.40 116.74 3k1e s VAL 32 Ca 0.00 0.32 -0.15 0.00 -2.93 0.00 0.00 61.98 59.22 3k1e s VAL 32 Cb 0.00 -3.13 -0.08 0.00 -1.53 0.00 0.00 36.38 31.63 3k1e s VAL 32 CO 0.00 -0.06 0.67 0.42 -3.33 0.00 0.00 175.10 172.80 3k1e s THR 33 N -1.53 4.73 0.38 5.04 -4.23 -1.26 -4.95 115.64 113.83 3k1e s THR 33 Ca 0.77 0.89 0.08 0.00 -1.18 0.00 0.00 61.69 62.26 3k1e s THR 33 Cb -0.32 -3.67 0.30 0.00 1.34 0.00 0.00 72.50 70.15 3k1e s THR 33 CO 0.35 -0.05 1.97 -0.33 -0.54 0.00 0.00 174.62 176.03 3k1e h GLU 34 N 2.66 0.63 -0.45 3.99 5.08 -2.01 -2.61 114.58 121.86 3k1e h GLU 34 Ca -0.48 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 57.72 3k1e h GLU 34 Cb 1.18 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 3k1e h GLU 34 CO 0.66 0.41 -0.21 0.93 -1.00 0.00 0.00 179.01 179.81 3k1e h GLU 35 N 0.64 0.90 -0.75 2.33 3.07 -2.00 -2.40 114.58 116.39 3k1e h GLU 35 Ca 0.29 -0.37 0.04 0.00 -0.50 0.00 0.00 59.36 58.82 3k1e h GLU 35 Cb 0.32 -0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 28.14 3k1e h GLU 35 CO -0.09 1.02 0.47 0.00 -1.40 0.00 0.00 179.01 179.01 3k1e h ALA 36 N 0.97 0.98 -0.05 3.43 0.00 -1.87 0.03 119.26 122.75 3k1e h ALA 36 Ca 0.11 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3k1e h ALA 36 Cb 0.76 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 3k1e h ALA 36 CO 0.06 0.25 0.03 0.82 0.00 0.00 0.00 179.25 180.41 3k1e h ILE 37 N 0.90 1.07 -0.27 0.00 2.04 -1.28 -1.71 117.51 118.27 3k1e h ILE 37 Ca 0.30 -0.21 -0.12 0.00 1.00 0.00 0.00 64.86 65.83 3k1e h ILE 37 Cb 0.04 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 3k1e h ILE 37 CO -0.12 0.06 -0.34 0.16 0.00 0.00 0.00 178.15 177.91 3k1e h ILE 38 N -0.00 1.29 -0.24 -0.67 3.07 -1.20 0.03 117.51 119.78 3k1e h ILE 38 Ca 0.02 -1.47 0.01 0.00 1.55 0.00 0.00 64.86 64.96 3k1e h ILE 38 Cb 0.07 1.45 -0.01 0.00 -0.27 0.00 0.00 36.82 38.06 3k1e h ILE 38 CO -0.00 0.47 0.15 -0.33 -1.05 0.00 0.00 178.15 177.38 3k1e h GLU 39 N 0.50 0.29 -0.53 0.16 5.08 -0.88 -1.56 114.58 117.64 3k1e h GLU 39 Ca 0.05 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.29 3k1e h GLU 39 Cb 0.83 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 3k1e h GLU 39 CO 0.07 0.19 -0.08 0.35 -1.00 0.00 0.00 179.01 178.54 3k1e h PHE 40 N 0.30 1.06 -0.32 4.33 3.57 -1.12 0.12 116.94 124.89 3k1e h PHE 40 Ca 0.09 -0.20 -0.00 0.00 3.53 0.00 0.00 57.97 61.39 3k1e h PHE 40 Cb -0.02 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.44 3k1e h PHE 40 CO -0.07 0.99 0.19 1.03 -2.23 0.00 0.00 178.31 178.21 3k1e h SER 41 N 0.87 0.38 0.00 0.41 0.87 -0.69 -3.37 113.55 112.02 3k1e h SER 41 Ca 0.14 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 3k1e h SER 41 Cb 0.62 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 3k1e h SER 41 CO 0.04 0.33 -0.31 0.47 -0.53 0.00 0.00 176.83 176.82 3k1e n ASP 42 N -4.83 1.44 0.00 6.23 8.00 -0.61 -4.42 116.55 122.37 3k1e n ASP 42 Ca -0.01 -0.36 0.00 0.00 0.71 0.00 0.00 54.79 55.13 3k1e n ASP 42 Cb 0.06 1.01 0.00 0.00 -0.02 0.00 0.00 41.12 42.16 3k1e n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3k1e n GLY 43 N 1.44 3.72 3.81 0.44 0.00 0.42 -5.06 105.19 109.95 3k1e n GLY 43 Ca 0.00 -1.78 -0.32 0.00 0.00 0.00 0.00 46.02 43.91 3k1e n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k1e s LYS 44 N 3.61 3.38 0.18 1.61 1.02 -1.25 -4.86 119.74 123.42 3k1e s LYS 44 Ca 0.00 1.12 -0.31 0.00 0.02 0.00 0.00 55.97 56.79 3k1e s LYS 44 Cb 0.00 -2.04 -0.10 0.00 -0.52 0.00 0.00 37.83 35.17 3k1e s LYS 44 CO 0.00 -0.76 1.54 0.08 -0.92 0.00 0.00 175.35 175.29 3k1e s VAL 45 N -2.58 2.65 0.06 3.17 1.01 -1.26 -4.50 120.40 118.95 3k1e s VAL 45 Ca 0.62 0.48 -0.05 0.00 0.00 0.00 0.00 61.98 63.03 3k1e s VAL 45 Cb -0.15 -3.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.91 3k1e s VAL 45 CO 0.39 0.05 0.08 -1.38 0.00 0.00 0.00 175.10 174.23 3k1e s HIS 46 N 0.90 0.31 -0.22 5.22 -3.43 -1.26 -5.11 115.29 111.70 3k1e s HIS 46 Ca 0.68 -0.76 -0.06 0.00 -0.80 0.00 0.00 55.06 54.11 3k1e s HIS 46 Cb -0.43 -0.21 -0.03 0.00 -1.43 0.00 0.00 32.58 30.48 3k1e s HIS 46 CO 0.34 -0.44 0.03 -1.21 -2.00 0.00 0.00 174.74 171.47 3k1e s GLU 47 N -3.61 3.65 -0.05 -0.38 2.02 -1.26 -5.00 118.70 114.07 3k1e s GLU 47 Ca 0.04 -0.49 0.02 0.00 0.02 0.00 0.00 54.97 54.55 3k1e s GLU 47 Cb 0.05 -3.20 0.02 0.00 0.10 0.00 0.00 34.13 31.10 3k1e s GLU 47 CO -0.09 -0.07 -0.07 0.34 0.02 0.00 0.00 175.26 175.38 3k1e s ASP 48 N 1.27 1.22 0.16 -0.19 2.15 -1.26 -5.07 116.67 114.95 3k1e s ASP 48 Ca 0.04 -0.19 -0.14 0.00 0.43 0.00 0.00 52.55 52.69 3k1e s ASP 48 Cb -0.15 -0.56 0.04 0.00 -0.30 0.00 0.00 42.92 41.96 3k1e s ASP 48 CO 0.02 -0.01 1.75 -0.08 -0.17 0.00 0.00 175.17 176.68 3k1e h GLU 49 N 7.02 0.72 -0.10 4.34 4.81 -2.01 -2.45 114.58 126.91 3k1e h GLU 49 Ca -0.35 -0.10 -0.13 0.00 -0.13 0.00 0.00 59.36 58.65 3k1e h GLU 49 Cb 1.17 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 3k1e h GLU 49 CO 0.48 0.59 -0.51 -0.91 -0.73 0.00 0.00 179.01 177.93 3k1e h ASN 50 N 0.66 0.30 -0.60 1.04 2.35 -1.95 -2.91 115.58 114.48 3k1e h ASN 50 Ca 0.17 -0.15 0.05 0.00 -0.55 0.00 0.00 56.30 55.82 3k1e h ASN 50 Cb 0.10 -0.09 -0.05 0.00 0.05 0.00 0.00 38.32 38.34 3k1e h ASN 50 CO -0.02 0.76 0.33 0.25 -1.65 0.00 0.00 177.43 177.09 3k1e h LEU 51 N 0.22 0.49 -0.62 1.61 5.85 -1.80 0.14 115.31 121.20 3k1e h LEU 51 Ca 0.01 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 3k1e h LEU 51 Cb 0.97 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 3k1e h LEU 51 CO 0.08 0.33 0.34 0.11 -0.34 0.00 0.00 178.44 178.96 3k1e h LYS 52 N 0.63 0.86 0.00 1.25 1.57 -1.28 0.20 116.57 119.80 3k1e h LYS 52 Ca 0.26 -0.10 -0.15 0.00 -1.87 0.00 0.00 60.65 58.80 3k1e h LYS 52 Cb 0.15 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 3k1e h LYS 52 CO -0.16 0.65 -0.71 0.00 -0.57 0.00 0.00 179.45 178.66 3k1e h TYR 54 N 0.00 0.04 -0.56 0.00 3.20 -0.24 0.32 116.97 119.74 3k1e h TYR 54 Ca -0.01 0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.94 3k1e h TYR 54 Cb 1.31 0.01 -0.05 0.00 1.54 0.00 0.00 36.73 39.53 3k1e h TYR 54 CO 0.00 0.01 0.26 0.52 -1.64 0.00 0.00 178.16 177.30 3k1e h MET 55 N 0.10 0.47 -0.63 1.82 2.86 -0.67 -1.13 114.93 117.76 3k1e h MET 55 Ca 0.09 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 3k1e h MET 55 Cb 0.10 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.62 3k1e h MET 55 CO -0.13 0.31 0.35 -0.97 1.06 0.00 0.00 176.91 177.53 3k1e h ASN 56 N 0.49 0.78 -0.54 1.22 -1.24 -1.06 -2.92 115.58 112.30 3k1e h ASN 56 Ca 0.26 -0.09 -0.00 0.00 0.71 0.00 0.00 56.30 57.18 3k1e h ASN 56 Cb 0.22 -0.20 -0.03 0.00 0.73 0.00 0.00 38.32 39.05 3k1e h ASN 56 CO -0.21 0.64 0.32 0.00 -1.29 0.00 0.00 177.43 176.89 3k1e h LEU 58 N 0.72 0.99 -0.47 0.00 3.38 -1.11 0.84 115.31 119.65 3k1e h LEU 58 Ca 0.19 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 3k1e h LEU 58 Cb 0.00 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3k1e h LEU 58 CO -0.03 0.65 0.12 -0.26 0.09 0.00 0.00 178.44 179.01 3k1e h PHE 59 N 1.14 0.79 -0.13 1.13 0.04 -1.20 -0.36 116.94 118.34 3k1e h PHE 59 Ca 0.39 -0.09 -0.01 0.00 2.80 0.00 0.00 57.97 61.06 3k1e h PHE 59 Cb 0.08 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.00 3k1e h PHE 59 CO -0.01 0.71 0.06 1.25 -0.60 0.00 0.00 178.31 179.72 3k1e h HIS 60 N 0.64 0.19 0.00 -0.55 2.76 -0.76 -2.55 115.15 114.87 3k1e h HIS 60 Ca 0.15 -0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.22 3k1e h HIS 60 Cb 0.32 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.21 3k1e h HIS 60 CO 0.02 0.26 -0.40 0.93 -1.30 0.00 0.00 177.93 177.44 3k1e h GLU 61 N 0.07 0.00 0.00 5.26 4.39 -0.76 -2.06 114.58 121.48 3k1e h GLU 61 Ca 0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.74 3k1e h GLU 61 Cb 0.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 3k1e h GLU 61 CO -0.00 0.40 0.00 0.00 -1.16 0.00 0.00 179.01 178.24 3k1e n ALA 62 N -2.37 2.46 -3.60 3.43 0.00 -0.15 -4.92 120.51 115.36 3k1e n ALA 62 Ca -0.01 -0.14 -0.22 0.00 0.00 0.00 0.00 53.44 53.07 3k1e n ALA 62 Cb 0.47 -1.48 0.07 0.00 0.00 0.00 0.00 19.45 18.51 3k1e n ALA 62 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3k1e n LYS 63 N -1.26 -6.62 -0.68 0.00 5.02 -0.77 -4.92 118.16 108.92 3k1e n LYS 63 Ca 0.15 0.77 0.01 0.00 -2.02 0.00 0.00 58.31 57.21 3k1e n LYS 63 Cb 0.22 -5.70 0.20 0.00 -0.02 0.00 0.00 35.03 29.73 3k1e n LYS 63 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3k1e n VAL 64 N -4.51 2.38 -4.37 -0.18 0.24 -0.99 -4.97 118.33 105.93 3k1e n VAL 64 Ca -0.15 -2.90 -0.24 0.00 -2.04 0.00 0.00 64.34 59.01 3k1e n VAL 64 Cb 0.62 -0.28 -0.09 0.00 -1.47 0.00 0.00 33.84 32.62 3k1e n VAL 64 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 3k1e s VAL 65 N -3.22 2.98 0.03 3.34 -7.23 -1.26 -0.70 120.40 114.34 3k1e s VAL 65 Ca 0.41 -2.09 -0.00 0.00 -1.81 0.00 0.00 61.98 58.49 3k1e s VAL 65 Cb 0.38 -2.56 0.01 0.00 0.56 0.00 0.00 36.38 34.77 3k1e s VAL 65 CO -0.02 -0.35 0.04 -0.90 -0.31 0.00 0.00 175.10 173.56 3k1e n ASP 66 N -0.63 0.02 0.31 4.85 5.68 0.14 -4.74 116.55 122.19 3k1e n ASP 66 Ca -0.07 -1.03 0.21 0.00 -0.50 0.00 0.00 54.79 53.40 3k1e n ASP 66 Cb 0.59 -0.03 1.01 0.00 -1.14 0.00 0.00 41.12 41.55 3k1e n ASP 66 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 3k1e h ASP 67 N -0.04 0.00 -0.31 -1.12 2.03 -2.02 -1.61 116.42 113.35 3k1e h ASP 67 Ca -0.01 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.29 3k1e h ASP 67 Cb 0.04 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.54 3k1e h ASP 67 CO 0.01 0.00 0.00 0.35 -1.03 0.00 0.00 179.24 178.57 3k1e n THR 68 N -3.08 0.67 -0.39 1.15 -2.24 -1.26 -4.98 114.28 104.16 3k1e n THR 68 Ca -0.02 -0.84 0.00 0.00 -2.27 0.00 0.00 64.05 60.93 3k1e n THR 68 Cb 0.16 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 3k1e n THR 68 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k1e n GLY 69 N 0.81 0.72 3.80 3.38 0.00 -0.61 -5.06 105.19 108.24 3k1e n GLY 69 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 3k1e n GLY 69 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3k1e s HIS 70 N -2.58 3.42 0.19 1.61 3.76 -1.26 -4.68 115.29 115.75 3k1e s HIS 70 Ca 0.00 1.68 -0.32 0.00 -0.15 0.00 0.00 55.06 56.27 3k1e s HIS 70 Cb 0.00 -2.95 -0.11 0.00 1.11 0.00 0.00 32.58 30.64 3k1e s HIS 70 CO 0.00 -0.14 1.60 0.08 -0.85 0.00 0.00 174.74 175.43 3k1e s VAL 71 N -1.85 2.44 -0.50 -0.90 1.01 -1.26 0.27 120.40 119.59 3k1e s VAL 71 Ca 0.57 0.32 -0.19 0.00 0.00 0.00 0.00 61.98 62.68 3k1e s VAL 71 Cb -0.16 -3.20 0.06 0.00 0.00 0.00 0.00 36.38 33.08 3k1e s VAL 71 CO 0.20 0.03 0.61 -2.28 0.00 0.00 0.00 175.10 173.66 3k1e s HIS 72 N 1.03 3.07 0.39 5.22 2.46 0.12 -4.77 115.29 122.80 3k1e s HIS 72 Ca 0.70 -0.58 0.22 0.00 0.47 0.00 0.00 55.06 55.87 3k1e s HIS 72 Cb -0.45 -3.52 1.17 0.00 -0.13 0.00 0.00 32.58 29.65 3k1e s HIS 72 CO 0.33 -1.02 1.99 -0.07 -2.47 0.00 0.00 174.74 173.50 3k1e h LEU 73 N 9.63 0.00 -0.24 8.88 3.38 -1.93 -1.06 115.31 133.97 3k1e h LEU 73 Ca -0.28 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.56 3k1e h LEU 73 Cb 1.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 3k1e h LEU 73 CO 0.96 0.19 -0.37 -0.33 0.09 0.00 0.00 178.44 178.99 3k1e h GLU 74 N 0.00 0.67 -0.54 1.13 5.08 -1.94 -1.39 114.58 117.59 3k1e h GLU 74 Ca -0.00 -0.40 -0.00 0.00 -1.00 0.00 0.00 59.36 57.95 3k1e h GLU 74 Cb 0.43 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 3k1e h GLU 74 CO 0.03 1.02 0.34 0.87 -1.00 0.00 0.00 179.01 180.26 3k1e h LYS 75 N 0.39 0.73 0.19 2.33 1.57 -1.71 -0.51 116.57 119.56 3k1e h LYS 75 Ca 0.02 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3k1e h LYS 75 Cb 0.96 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.09 3k1e h LYS 75 CO 0.08 0.52 -0.22 1.25 -0.57 0.00 0.00 179.45 180.52 3k1e h LEU 76 N 0.73 -0.59 -0.62 2.94 5.85 -1.20 -0.73 115.31 121.69 3k1e h LEU 76 Ca 0.20 0.06 0.11 0.00 0.84 0.00 0.00 57.88 59.08 3k1e h LEU 76 Cb -0.03 0.21 -0.08 0.00 0.37 0.00 0.00 40.66 41.12 3k1e h LEU 76 CO -0.04 -0.32 0.19 -0.74 -0.34 0.00 0.00 178.44 177.19 3k1e h HIS 77 N -0.45 0.32 -0.01 1.25 2.76 -1.08 -1.47 115.15 116.47 3k1e h HIS 77 Ca 0.01 0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.14 3k1e h HIS 77 Cb 0.43 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.34 3k1e h HIS 77 CO -0.17 0.04 -0.32 0.22 -1.30 0.00 0.00 177.93 176.40 3k1e h ASP 78 N 0.34 0.02 1.81 3.26 3.58 -0.85 -2.80 116.42 121.78 3k1e h ASP 78 Ca 0.32 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.76 3k1e h ASP 78 Cb 0.44 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.48 3k1e h ASP 78 CO -0.36 0.34 -0.04 0.00 -2.88 0.00 0.00 179.24 176.30 3k1e h ALA 79 N 1.66 0.98 -2.62 -0.78 0.00 -0.12 -3.46 119.26 114.93 3k1e h ALA 79 Ca -0.00 -0.04 -0.49 0.00 0.00 0.00 0.00 54.91 54.38 3k1e h ALA 79 Cb 0.57 -0.01 0.04 0.00 0.00 0.00 0.00 17.79 18.39 3k1e h ALA 79 CO 0.04 0.05 0.45 -0.51 0.00 0.00 0.00 179.25 179.28 3k1e s LEU 80 N -6.24 4.15 0.31 0.00 1.43 -0.81 -4.98 118.68 112.54 3k1e s LEU 80 Ca 0.06 2.18 -0.27 0.00 -1.03 0.00 0.00 54.13 55.06 3k1e s LEU 80 Cb 0.06 -4.12 -0.14 0.00 0.03 0.00 0.00 46.19 42.02 3k1e s LEU 80 CO 0.66 -0.60 0.99 -2.65 0.23 0.00 0.00 176.35 174.97 3k1e n PRO 81 N -0.05 1.31 0.20 1.29 -0.02 -1.26 -4.86 135.00 131.62 3k1e n PRO 81 Ca 0.05 0.46 0.10 0.00 -2.02 0.00 0.00 63.50 62.08 3k1e n PRO 81 Cb 0.48 -1.84 0.63 0.00 -0.02 0.00 0.00 33.50 32.76 3k1e n PRO 81 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3k1e h ASP 82 N 1.89 0.03 -0.05 2.55 3.32 -1.93 -0.53 116.42 121.69 3k1e h ASP 82 Ca -0.40 -0.00 0.02 0.00 0.02 0.00 0.00 57.03 56.67 3k1e h ASP 82 Cb 1.34 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.88 3k1e h ASP 82 CO 0.60 0.02 0.11 0.77 -1.72 0.00 0.00 179.24 179.02 3k1e h SER 83 N 0.04 0.00 -0.01 6.45 4.64 -2.02 -1.73 113.55 120.91 3k1e h SER 83 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3k1e h SER 83 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3k1e h SER 83 CO -0.00 0.00 -0.10 0.23 -0.87 0.00 0.00 176.83 176.08 3k1e n MET 84 N -3.42 1.90 -0.00 4.77 2.81 -0.21 -4.68 117.12 118.29 3k1e n MET 84 Ca -0.02 -1.48 -0.09 0.00 -1.81 0.00 0.00 57.70 54.30 3k1e n MET 84 Cb 0.19 -1.47 -0.03 0.00 -0.71 0.00 0.00 33.22 31.20 3k1e n MET 84 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3k1e h HIS 85 N 3.62 -0.26 -0.32 2.03 3.86 -1.35 0.16 115.15 122.89 3k1e h HIS 85 Ca 0.00 0.02 -0.09 0.00 -1.16 0.00 0.00 60.37 59.14 3k1e h HIS 85 Cb 0.83 0.14 -0.01 0.00 1.06 0.00 0.00 27.41 29.42 3k1e h HIS 85 CO 0.00 -0.16 -0.15 -0.44 0.86 0.00 0.00 177.93 178.03 3k1e h ASP 86 N -0.12 0.68 -0.30 2.45 3.32 -1.83 -1.59 116.42 119.03 3k1e h ASP 86 Ca 0.08 -0.41 0.05 0.00 0.02 0.00 0.00 57.03 56.77 3k1e h ASP 86 Cb 0.24 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.56 3k1e h ASP 86 CO -0.20 0.94 0.02 0.40 -1.72 0.00 0.00 179.24 178.68 3k1e h ILE 87 N 0.42 0.80 -1.00 0.35 2.04 -1.80 -2.39 117.51 115.94 3k1e h ILE 87 Ca 0.07 -0.04 0.06 0.00 1.00 0.00 0.00 64.86 65.95 3k1e h ILE 87 Cb 0.68 0.68 -0.07 0.00 -0.74 0.00 0.00 36.82 37.38 3k1e h ILE 87 CO 0.05 0.02 0.65 0.00 0.00 0.00 0.00 178.15 178.86 3k1e h ALA 88 N 1.25 1.37 -0.33 1.87 0.00 -0.51 -1.87 119.26 121.03 3k1e h ALA 88 Ca 0.14 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3k1e h ALA 88 Cb 0.18 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3k1e h ALA 88 CO -0.22 0.46 0.21 1.25 0.00 0.00 0.00 179.25 180.94 3k1e h LEU 89 N 1.19 0.34 -0.45 0.00 5.85 -0.80 0.79 115.31 122.23 3k1e h LEU 89 Ca 0.42 -0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.98 3k1e h LEU 89 Cb 0.14 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 3k1e h LEU 89 CO -0.17 0.25 -0.77 0.45 -0.34 0.00 0.00 178.44 177.86 3k1e h HIS 90 N 0.42 0.00 -0.39 1.25 3.86 -1.18 -1.91 115.15 117.20 3k1e h HIS 90 Ca 0.13 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.25 3k1e h HIS 90 Cb -0.02 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.43 3k1e h HIS 90 CO -0.07 0.77 -0.10 0.52 0.86 0.00 0.00 177.93 179.92 3k1e h MET 91 N 0.00 0.69 0.00 2.45 2.86 -1.14 -3.26 114.93 116.53 3k1e h MET 91 Ca -0.01 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.42 3k1e h MET 91 Cb 1.37 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.96 3k1e h MET 91 CO 0.10 0.77 -0.23 0.78 1.06 0.00 0.00 176.91 179.40 3k1e h GLY 92 N 0.97 0.00 2.00 8.32 0.00 -0.60 -3.39 103.07 110.36 3k1e h GLY 92 Ca 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 3k1e h GLY 92 CO 0.03 0.00 -0.07 0.07 0.00 0.00 0.00 176.54 176.58 3k1e h LYS 93 N 0.00 0.00 0.00 4.80 2.10 -1.39 -0.52 116.57 121.56 3k1e h LYS 93 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 3k1e h LYS 93 Cb 0.96 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.27 3k1e h LYS 93 CO 0.00 0.07 -0.47 0.54 -2.00 0.00 0.00 179.45 177.59 3k1e n ARG 94 N -3.66 1.46 -2.56 0.07 5.12 -1.26 -4.75 116.66 111.07 3k1e n ARG 94 Ca -0.02 -3.14 -0.12 0.00 -1.93 0.00 0.00 57.85 52.64 3k1e n ARG 94 Cb 0.17 -1.51 0.03 0.00 -1.16 0.00 0.00 32.46 29.99 3k1e n ARG 94 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3k1e n LEU 96 N -0.44 0.60 -3.68 0.00 4.77 -1.25 -4.75 117.00 112.25 3k1e n LEU 96 Ca 0.21 0.26 -0.28 0.00 -0.03 0.00 0.00 56.01 56.17 3k1e n LEU 96 Cb 0.81 0.11 -0.11 0.00 -2.33 0.00 0.00 43.42 41.90 3k1e n LEU 96 CO 0.24 0.14 -0.16 -0.31 -1.33 0.00 0.00 177.39 175.97 3k1e s TYR 97 N -3.00 2.46 0.67 -1.77 2.02 -1.26 -5.06 117.35 111.41 3k1e s TYR 97 Ca -0.04 -2.87 -0.16 0.00 -0.37 0.00 0.00 57.07 53.62 3k1e s TYR 97 Cb 0.09 -1.92 0.01 0.00 -0.40 0.00 0.00 41.96 39.74 3k1e s TYR 97 CO 0.83 -0.67 1.19 -2.14 -1.57 0.00 0.00 175.55 173.18 3k1e s PRO 98 N -0.74 2.54 0.04 -1.71 0.02 -1.26 -5.04 135.00 128.84 3k1e s PRO 98 Ca 0.28 1.70 0.09 0.00 0.02 0.00 0.00 61.00 63.08 3k1e s PRO 98 Cb -0.02 -1.89 -0.03 0.00 0.02 0.00 0.00 34.50 32.58 3k1e s PRO 98 CO -0.17 -1.51 -0.25 -1.21 -0.33 0.00 0.00 177.00 173.52 3k1e s GLU 99 N -3.77 1.77 0.00 5.54 0.41 -1.26 -5.03 118.70 116.36 3k1e s GLU 99 Ca 0.74 -1.06 0.00 0.00 -0.41 0.00 0.00 54.97 54.24 3k1e s GLU 99 Cb -0.28 -1.90 0.00 0.00 -1.78 0.00 0.00 34.13 30.17 3k1e s GLU 99 CO 0.41 0.50 0.00 0.41 -0.49 0.00 0.00 175.26 176.08 3k1e n GLY 100 N 1.88 3.32 0.05 -1.39 0.00 -1.26 -4.01 105.19 103.78 3k1e n GLY 100 Ca -0.17 -0.78 0.13 0.00 0.00 0.00 0.00 46.02 45.20 3k1e n GLY 100 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3k1e n GLU 101 N -1.01 0.21 -3.82 1.61 -0.58 -1.26 -4.80 120.64 110.98 3k1e n GLU 101 Ca 0.00 -0.10 -0.08 0.00 -0.42 0.00 0.00 57.16 56.56 3k1e n GLU 101 Cb 0.00 -1.50 0.02 0.00 -0.57 0.00 0.00 31.44 29.39 3k1e n GLU 101 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3k1e s ASN 102 N -2.87 -0.03 0.34 1.62 2.20 -1.26 -5.04 114.94 109.90 3k1e s ASN 102 Ca 0.15 -1.01 0.08 0.00 -0.94 0.00 0.00 52.86 51.14 3k1e s ASN 102 Cb 0.18 0.79 0.60 0.00 -2.00 0.00 0.00 41.25 40.83 3k1e s ASN 102 CO 0.62 -1.56 1.80 -0.07 -2.94 0.00 0.00 177.10 174.95 3k1e h LEU 103 N 2.00 0.24 -0.39 3.54 3.38 -1.95 -1.82 115.31 120.31 3k1e h LEU 103 Ca -0.30 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.54 3k1e h LEU 103 Cb 1.25 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 3k1e h LEU 103 CO 0.38 0.52 0.01 0.00 0.09 0.00 0.00 178.44 179.44 3k1e h GLU 105 N 0.50 0.42 -0.33 0.00 4.39 -1.79 -0.92 114.58 116.86 3k1e h GLU 105 Ca 0.11 -0.05 -0.12 0.00 0.34 0.00 0.00 59.36 59.65 3k1e h GLU 105 Cb 0.45 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 3k1e h GLU 105 CO 0.02 0.35 -0.28 0.87 -1.16 0.00 0.00 179.01 178.81 3k1e h LYS 106 N 0.37 0.67 -0.35 2.33 1.57 -1.30 0.19 116.57 120.06 3k1e h LYS 106 Ca 0.11 -0.29 -0.03 0.00 -1.87 0.00 0.00 60.65 58.57 3k1e h LYS 106 Cb 0.05 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3k1e h LYS 106 CO -0.02 0.88 0.11 0.00 -0.57 0.00 0.00 179.45 179.85 3k1e h ALA 107 N 1.11 0.46 -0.52 3.86 0.00 -0.75 -2.22 119.26 121.20 3k1e h ALA 107 Ca 0.07 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.84 3k1e h ALA 107 Cb 0.77 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 3k1e h ALA 107 CO 0.06 0.09 0.34 0.35 0.00 0.00 0.00 179.25 180.09 3k1e h PHE 108 N 0.41 0.64 -0.77 0.00 3.57 -1.04 -2.54 116.94 117.21 3k1e h PHE 108 Ca 0.11 0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.77 3k1e h PHE 108 Cb 0.24 -0.21 -0.09 0.00 2.79 0.00 0.00 35.95 38.68 3k1e h PHE 108 CO 0.01 0.39 0.32 2.35 -2.23 0.00 0.00 178.31 179.15 3k1e h TRP 109 N 0.68 0.54 0.10 0.41 7.01 -0.68 0.12 115.95 124.13 3k1e h TRP 109 Ca 0.20 0.04 -0.00 0.00 2.11 0.00 0.00 58.89 61.23 3k1e h TRP 109 Cb -0.06 -0.12 0.00 0.00 -2.10 0.00 0.00 29.16 26.88 3k1e h TRP 109 CO -0.04 0.08 -0.05 -0.07 -2.79 0.00 0.00 178.44 175.56 3k1e h LEU 110 N 0.46 -0.11 -0.68 0.65 3.38 -1.10 -0.55 115.31 117.36 3k1e h LEU 110 Ca 0.42 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 58.23 3k1e h LEU 110 Cb 0.63 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 3k1e h LEU 110 CO -0.40 0.12 0.43 0.45 0.09 0.00 0.00 178.44 179.14 3k1e h HIS 111 N -0.35 0.82 -0.55 1.13 3.86 -0.99 0.56 115.15 119.63 3k1e h HIS 111 Ca -0.01 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 3k1e h HIS 111 Cb 0.29 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.46 3k1e h HIS 111 CO -0.00 0.49 0.32 -0.22 0.86 0.00 0.00 177.93 179.38 3k1e h LYS 112 N 0.86 0.76 -0.51 2.45 3.64 -0.74 -0.05 116.57 122.98 3k1e h LYS 112 Ca 0.26 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.54 3k1e h LYS 112 Cb -0.03 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.61 3k1e h LYS 112 CO -0.09 0.56 0.20 0.00 -2.27 0.00 0.00 179.45 177.85 3k1e h TRP 114 N 0.69 0.48 -0.64 0.00 6.55 -0.75 -1.59 115.95 120.70 3k1e h TRP 114 Ca 0.17 -0.04 -0.07 0.00 0.95 0.00 0.00 58.89 59.90 3k1e h TRP 114 Cb 0.21 -0.14 -0.03 0.00 -0.86 0.00 0.00 29.16 28.34 3k1e h TRP 114 CO 0.01 0.48 0.11 -0.22 -1.05 0.00 0.00 178.44 177.77 3k1e h LYS 115 N 0.34 1.04 -0.23 0.49 3.64 -0.75 -1.46 116.57 119.65 3k1e h LYS 115 Ca 0.10 -0.26 -0.07 0.00 -1.27 0.00 0.00 60.65 59.14 3k1e h LYS 115 Cb 0.21 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 3k1e h LYS 115 CO -0.01 0.95 -0.18 0.93 -2.27 0.00 0.00 179.45 178.88 3k1e h GLU 116 N 0.98 0.40 0.00 1.90 5.08 -0.61 -2.44 114.58 119.89 3k1e h GLU 116 Ca 0.20 -0.12 -0.23 0.00 -1.00 0.00 0.00 59.36 58.20 3k1e h GLU 116 Cb 0.41 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.63 3k1e h GLU 116 CO 0.01 0.57 -0.96 0.77 -1.00 0.00 0.00 179.01 178.40 3k1e h SER 117 N 0.37 0.59 -1.10 1.42 0.02 -0.60 -3.41 113.55 110.84 3k1e h SER 117 Ca 0.06 -0.48 -0.36 0.00 -0.84 0.00 0.00 61.79 60.18 3k1e h SER 117 Cb 0.53 -0.18 -0.25 0.00 0.14 0.00 0.00 62.40 62.64 3k1e h SER 117 CO 0.03 1.28 -0.74 -0.67 -1.14 0.00 0.00 176.83 175.59 3k1e n ASP 118 N -3.76 -1.80 -0.20 3.07 -0.08 -0.61 -4.96 116.55 108.21 3k1e n ASP 118 Ca -0.07 -2.92 0.09 0.00 -1.51 0.00 0.00 54.79 50.37 3k1e n ASP 118 Cb 0.84 0.78 0.38 0.00 2.34 0.00 0.00 41.12 45.46 3k1e n ASP 118 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3k1e h PRO 119 N 4.43 0.68 -0.85 -0.67 0.13 -1.66 0.06 132.00 134.12 3k1e h PRO 119 Ca 0.01 -0.04 0.01 0.00 -0.87 0.00 0.00 66.00 65.12 3k1e h PRO 119 Cb 0.99 -0.15 -0.04 0.00 0.13 0.00 0.00 31.00 31.92 3k1e h PRO 119 CO 0.31 0.45 0.57 -0.22 -0.23 0.00 0.00 178.00 178.88 3k1e h LYS 120 N 0.70 1.11 0.00 0.86 1.63 -1.95 -3.01 116.57 115.92 3k1e h LYS 120 Ca 0.35 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 60.08 3k1e h LYS 120 Cb 0.44 -0.25 0.00 0.00 -0.60 0.00 0.00 32.23 31.82 3k1e h LYS 120 CO -0.13 0.73 -0.92 0.72 -3.45 0.00 0.00 179.45 176.40 3k1e n HIS 121 N -4.41 0.00 -2.22 1.91 8.25 -0.94 -4.95 115.22 112.86 3k1e n HIS 121 Ca 0.10 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.15 3k1e n HIS 121 Cb 0.04 -0.03 -0.03 0.00 1.12 0.00 0.00 29.99 31.09 3k1e n HIS 121 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 3k1e s TYR 122 N -2.76 3.21 0.11 4.41 5.04 -0.03 -5.03 117.35 122.30 3k1e s TYR 122 Ca 0.06 1.43 -0.13 0.00 -2.44 0.00 0.00 57.07 56.00 3k1e s TYR 122 Cb 0.14 -3.57 0.02 0.00 0.35 0.00 0.00 41.96 38.89 3k1e s TYR 122 CO 0.75 -1.57 0.31 -0.59 -1.34 0.00 0.00 175.55 173.11 3k1e s PHE 123 N -0.86 -0.05 -0.06 4.97 -0.71 -1.26 -4.85 117.98 115.16 3k1e s PHE 123 Ca 0.50 -0.32 0.03 0.00 -1.04 0.00 0.00 56.93 56.10 3k1e s PHE 123 Cb -0.37 0.12 0.01 0.00 -1.21 0.00 0.00 43.02 41.56 3k1e s PHE 123 CO 0.47 -0.63 -0.14 -1.17 -1.34 0.00 0.00 175.22 172.41 3k1e s LEU 124 N -2.83 1.75 0.00 -1.99 2.96 -1.26 -4.97 118.68 112.34 3k1e s LEU 124 Ca 0.04 -0.31 0.16 0.00 -0.22 0.00 0.00 54.13 53.80 3k1e s LEU 124 Cb 0.03 -0.85 0.13 0.00 0.50 0.00 0.00 46.19 46.00 3k1e s LEU 124 CO -0.12 0.07 1.01 2.30 -1.32 0.00 0.00 176.35 178.30