#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4j s SER 12 N 0.00 5.92 -1.33 1.61 0.15 -1.26 -5.01 113.70 113.77 2k4j s SER 12 Ca 0.00 0.70 -0.13 0.00 0.70 0.00 0.00 55.95 57.22 2k4j s SER 12 Cb 0.00 -1.89 0.11 0.00 -1.71 0.00 0.00 66.02 62.53 2k4j s SER 12 CO 0.00 -0.78 1.91 -0.62 1.20 0.00 0.00 173.24 174.95 2k4j n GLU 13 N -2.33 3.26 -3.73 5.44 1.02 -1.26 -4.90 120.64 118.14 2k4j n GLU 13 Ca 0.02 -3.23 -0.14 0.00 -0.02 0.00 0.00 57.16 53.79 2k4j n GLU 13 Cb 0.57 -3.15 -0.09 0.00 -0.02 0.00 0.00 31.44 28.74 2k4j n GLU 13 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2k4j s GLU 14 N 2.10 0.65 -0.14 3.49 2.56 -1.26 -5.09 118.70 121.01 2k4j s GLU 14 Ca 0.45 0.08 -0.23 0.00 0.00 0.00 0.00 54.97 55.27 2k4j s GLU 14 Cb 0.08 0.30 -0.20 0.00 2.00 0.00 0.00 34.13 36.31 2k4j s GLU 14 CO -0.02 -0.16 0.55 0.28 -0.56 0.00 0.00 175.26 175.36 2k4j h VAL 15 N 3.97 1.36 -0.35 3.70 2.07 -2.06 -3.36 116.25 121.57 2k4j h VAL 15 Ca -0.28 -2.08 -0.23 0.00 0.82 0.00 0.00 66.70 64.92 2k4j h VAL 15 Cb 1.17 2.63 -0.09 0.00 -1.52 0.00 0.00 31.29 33.48 2k4j h VAL 15 CO 0.35 0.46 0.20 -1.20 0.02 0.00 0.00 177.57 177.40 2k4j n SER 16 N -4.61 6.00 -4.71 0.57 7.64 -1.26 -4.99 113.62 112.26 2k4j n SER 16 Ca -0.11 -2.82 -0.43 0.00 1.01 0.00 0.00 58.87 56.52 2k4j n SER 16 Cb 0.43 -1.14 -0.02 0.00 -1.01 0.00 0.00 64.21 62.47 2k4j n SER 16 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2k4j n GLU 17 N 1.00 2.36 -1.25 1.43 2.13 -1.26 -4.38 120.64 120.67 2k4j n GLU 17 Ca 0.24 0.84 -0.31 0.00 0.66 0.00 0.00 57.16 58.60 2k4j n GLU 17 Cb 0.59 -2.55 0.10 0.00 0.27 0.00 0.00 31.44 29.85 2k4j n GLU 17 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 2k4j s PRO 18 N -0.63 1.98 0.25 5.31 0.04 -1.26 -4.78 135.00 135.91 2k4j s PRO 18 Ca 0.65 1.06 0.08 0.00 0.04 0.00 0.00 61.00 62.83 2k4j s PRO 18 Cb -0.57 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.06 2k4j s PRO 18 CO 0.51 -1.81 0.05 0.20 0.04 0.00 0.00 177.00 175.99 2k4j s GLY 19 N -3.42 1.60 0.08 0.56 0.00 -0.36 -5.01 107.32 100.77 2k4j s GLY 19 Ca 0.62 -1.54 0.01 0.00 0.00 0.00 0.00 44.72 43.81 2k4j s GLY 19 CO 0.56 -1.59 -0.06 0.99 0.00 0.00 0.00 173.10 173.00 2k4j s ASP 20 N -3.59 0.93 -0.45 1.64 1.01 -1.26 -0.46 116.67 114.48 2k4j s ASP 20 Ca 0.31 -0.92 0.07 0.00 0.71 0.00 0.00 52.55 52.72 2k4j s ASP 20 Cb -0.07 0.11 0.30 0.00 1.01 0.00 0.00 42.92 44.27 2k4j s ASP 20 CO 0.21 -0.45 0.99 0.00 0.21 0.00 0.00 175.17 176.13 2k4j n ALA 21 N 0.27 -0.44 -0.77 5.23 0.00 0.03 -4.94 120.51 119.89 2k4j n ALA 21 Ca -0.15 -1.78 0.00 0.00 0.00 0.00 0.00 53.44 51.52 2k4j n ALA 21 Cb 0.60 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.89 2k4j n ALA 21 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2k4j n ASN 22 N 0.70 0.00 0.01 0.00 4.13 -1.26 -1.75 115.26 117.09 2k4j n ASN 22 Ca 0.10 0.00 0.11 0.00 1.68 0.00 0.00 54.58 56.47 2k4j n ASN 22 Cb 0.67 0.00 0.02 0.00 -1.54 0.00 0.00 39.78 38.93 2k4j n ASN 22 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 2k4j n ILE 23 N 0.00 0.04 -4.31 2.41 -0.00 -1.26 -4.95 119.36 111.30 2k4j n ILE 23 Ca 0.00 -0.08 -0.16 0.00 -0.00 0.00 0.00 62.75 62.51 2k4j n ILE 23 Cb 0.00 0.55 -0.10 0.00 -0.00 0.00 0.00 39.64 40.08 2k4j n ILE 23 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.55 177.27 2k4j s PHE 24 N -3.07 1.48 0.07 1.39 -0.71 -0.72 -0.97 117.98 115.44 2k4j s PHE 24 Ca 0.07 -1.08 -0.08 0.00 -1.04 0.00 0.00 56.93 54.79 2k4j s PHE 24 Cb 0.16 -0.87 -0.00 0.00 -1.21 0.00 0.00 43.02 41.10 2k4j s PHE 24 CO 0.81 -0.23 0.18 1.03 -1.34 0.00 0.00 175.22 175.66 2k4j s ARG 25 N -3.97 0.77 -0.06 1.99 0.52 -0.41 -0.79 118.95 117.00 2k4j s ARG 25 Ca 0.32 -0.84 0.04 0.00 -0.52 0.00 0.00 55.73 54.73 2k4j s ARG 25 Cb 0.07 0.31 0.00 0.00 0.52 0.00 0.00 34.95 35.85 2k4j s ARG 25 CO 0.10 -0.23 -0.17 0.54 0.02 0.00 0.00 175.30 175.57 2k4j s VAL 26 N -3.34 1.44 -0.37 3.52 0.11 0.40 -1.05 120.40 121.11 2k4j s VAL 26 Ca 0.01 -0.69 -0.12 0.00 -2.93 0.00 0.00 61.98 58.24 2k4j s VAL 26 Cb 0.03 -1.26 0.01 0.00 -1.53 0.00 0.00 36.38 33.63 2k4j s VAL 26 CO -0.08 0.42 0.23 -0.62 -3.33 0.00 0.00 175.10 171.72 2k4j s ASP 27 N 0.26 5.87 0.29 3.54 -1.08 -0.56 -1.22 116.67 123.76 2k4j s ASP 27 Ca -0.09 -0.83 0.22 0.00 -0.52 0.00 0.00 52.55 51.33 2k4j s ASP 27 Cb -0.14 -2.08 0.12 0.00 -1.46 0.00 0.00 42.92 39.37 2k4j s ASP 27 CO 0.04 -0.36 1.27 0.50 0.52 0.00 0.00 175.17 177.14 2k4j h LYS 28 N 8.49 0.00 0.03 4.34 3.64 -1.85 -0.70 116.57 130.53 2k4j h LYS 28 Ca -0.28 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.10 2k4j h LYS 28 Cb 1.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 2k4j h LYS 28 CO 0.68 0.06 -0.01 0.22 -2.27 0.00 0.00 179.45 178.12 2k4j h ASP 29 N 0.00 -0.03 0.54 4.20 3.58 -1.92 -3.33 116.42 119.45 2k4j h ASP 29 Ca -0.01 -0.57 0.00 0.00 0.42 0.00 0.00 57.03 56.87 2k4j h ASP 29 Cb 1.07 0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.13 2k4j h ASP 29 CO 0.01 0.57 -1.00 -0.24 -2.88 0.00 0.00 179.24 175.70 2k4j n SER 30 N -4.82 0.62 -2.30 2.28 2.88 -1.26 -5.03 113.62 105.99 2k4j n SER 30 Ca -0.09 -0.10 -0.01 0.00 -1.33 0.00 0.00 58.87 57.35 2k4j n SER 30 Cb 0.30 0.71 0.00 0.00 -0.75 0.00 0.00 64.21 64.47 2k4j n SER 30 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2k4j n ARG 31 N -2.07 -0.73 -4.24 -1.46 0.63 -0.62 -5.06 116.66 103.12 2k4j n ARG 31 Ca 0.02 0.94 -0.13 0.00 -0.92 0.00 0.00 57.85 57.75 2k4j n ARG 31 Cb 0.45 -3.67 -0.10 0.00 0.45 0.00 0.00 32.46 29.59 2k4j n ARG 31 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2k4j s GLU 32 N -3.08 1.05 -0.02 -0.14 2.02 -0.37 -4.31 118.70 113.85 2k4j s GLU 32 Ca 0.03 -1.47 0.01 0.00 0.02 0.00 0.00 54.97 53.55 2k4j s GLU 32 Cb -0.00 -0.43 0.01 0.00 0.10 0.00 0.00 34.13 33.81 2k4j s GLU 32 CO 0.38 -0.02 -0.01 0.54 0.02 0.00 0.00 175.26 176.17 2k4j s VAL 33 N -3.49 0.21 -0.09 2.63 0.11 -0.19 -1.50 120.40 118.07 2k4j s VAL 33 Ca 0.19 -0.02 -0.02 0.00 -2.93 0.00 0.00 61.98 59.20 2k4j s VAL 33 Cb 0.04 -0.24 -0.03 0.00 -1.53 0.00 0.00 36.38 34.62 2k4j s VAL 33 CO 0.01 0.11 -0.01 -0.31 -3.33 0.00 0.00 175.10 171.56 2k4j s TYR 34 N 0.49 3.10 0.23 1.54 1.51 -0.22 -0.87 117.35 123.14 2k4j s TYR 34 Ca -0.05 0.10 -0.02 0.00 -1.01 0.00 0.00 57.07 56.09 2k4j s TYR 34 Cb -0.08 -1.80 -0.05 0.00 -0.11 0.00 0.00 41.96 39.93 2k4j s TYR 34 CO -0.01 0.38 0.45 1.41 -1.11 0.00 0.00 175.55 176.67 2k4j s MET 35 N -0.70 3.57 0.57 -0.62 1.75 0.06 -1.29 119.30 122.64 2k4j s MET 35 Ca 0.11 -0.20 0.28 0.00 -1.25 0.00 0.00 55.69 54.63 2k4j s MET 35 Cb -0.12 -2.77 1.49 0.00 2.84 0.00 0.00 34.83 36.27 2k4j s MET 35 CO 0.02 0.34 1.94 1.25 -0.65 0.00 0.00 175.02 177.92 2k4j h HIS 36 N 1.93 0.00 0.00 4.11 2.76 -1.42 -0.92 115.15 121.61 2k4j h HIS 36 Ca -0.48 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.69 2k4j h HIS 36 Cb 1.19 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.15 2k4j h HIS 36 CO 0.56 0.00 -1.23 0.39 -1.30 0.00 0.00 177.93 176.35 2k4j n GLU 37 N -3.91 0.59 -3.57 5.26 -0.58 -1.26 -5.04 120.64 112.13 2k4j n GLU 37 Ca 0.09 0.04 -0.14 0.00 -0.42 0.00 0.00 57.16 56.73 2k4j n GLU 37 Cb 0.65 -1.73 -0.06 0.00 -0.57 0.00 0.00 31.44 29.72 2k4j n GLU 37 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 2k4j s LYS 38 N -3.38 0.81 -0.04 3.49 -2.85 -0.35 -5.00 119.74 112.41 2k4j s LYS 38 Ca -0.02 0.36 -0.22 0.00 -1.00 0.00 0.00 55.97 55.10 2k4j s LYS 38 Cb 0.11 0.38 -0.05 0.00 -2.06 0.00 0.00 37.83 36.22 2k4j s LYS 38 CO 0.82 -0.22 0.63 0.21 0.10 0.00 0.00 175.35 176.89 2k4j s LYS 39 N -0.78 4.38 0.13 1.78 2.36 -1.26 -0.76 119.74 125.59 2k4j s LYS 39 Ca -0.05 0.77 0.06 0.00 -2.55 0.00 0.00 55.97 54.20 2k4j s LYS 39 Cb -0.01 -3.40 -0.04 0.00 -1.05 0.00 0.00 37.83 33.33 2k4j s LYS 39 CO 0.04 0.21 -0.13 -0.51 1.55 0.00 0.00 175.35 176.51 2k4j s LEU 40 N 0.32 2.43 -0.40 5.43 1.02 -0.04 -4.91 118.68 122.53 2k4j s LEU 40 Ca 0.33 -0.85 0.03 0.00 0.02 0.00 0.00 54.13 53.66 2k4j s LEU 40 Cb -0.18 -0.53 0.17 0.00 0.02 0.00 0.00 46.19 45.67 2k4j s LEU 40 CO 0.17 -0.17 0.35 -0.62 0.02 0.00 0.00 176.35 176.09 2k4j s ASP 41 N -2.62 1.46 0.24 2.29 2.15 -1.26 -1.02 116.67 117.91 2k4j s ASP 41 Ca 0.11 -2.75 0.03 0.00 0.43 0.00 0.00 52.55 50.38 2k4j s ASP 41 Cb -0.03 -0.21 -0.05 0.00 -0.30 0.00 0.00 42.92 42.32 2k4j s ASP 41 CO 0.03 -0.19 0.01 -0.22 -0.17 0.00 0.00 175.17 174.63 2k4j s LEU 42 N 0.37 2.14 0.70 -1.34 2.96 -1.26 -4.96 118.68 117.28 2k4j s LEU 42 Ca 0.29 -1.25 -0.10 0.00 -0.22 0.00 0.00 54.13 52.85 2k4j s LEU 42 Cb -0.02 -0.26 0.03 0.00 0.50 0.00 0.00 46.19 46.44 2k4j s LEU 42 CO -0.14 -0.54 1.06 -0.89 -1.32 0.00 0.00 176.35 174.52 2k4j s THR 43 N -3.43 3.13 0.30 3.68 2.01 -1.26 -4.43 115.64 115.63 2k4j s THR 43 Ca 0.30 0.22 0.03 0.00 0.31 0.00 0.00 61.69 62.54 2k4j s THR 43 Cb 0.06 -3.34 0.35 0.00 0.01 0.00 0.00 72.50 69.58 2k4j s THR 43 CO 0.10 -0.42 1.61 -0.09 -0.69 0.00 0.00 174.62 175.14 2k4j h ARG 44 N -0.62 0.10 0.26 4.92 1.12 -1.98 0.19 114.38 118.37 2k4j h ARG 44 Ca -0.45 -0.01 -0.00 0.00 -1.11 0.00 0.00 59.98 58.41 2k4j h ARG 44 Cb 1.27 -0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 31.20 2k4j h ARG 44 CO 0.63 0.07 -0.19 0.00 -3.11 0.00 0.00 179.97 177.37 2k4j h ALA 45 N 1.87 -0.44 -0.68 2.80 0.00 -1.98 0.49 119.26 121.32 2k4j h ALA 45 Ca 0.58 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.39 2k4j h ALA 45 Cb 1.21 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 19.22 2k4j h ALA 45 CO -0.77 -0.76 0.31 0.93 0.00 0.00 0.00 179.25 178.96 2k4j h GLU 46 N -0.46 0.97 0.34 0.00 3.07 -1.10 -1.52 114.58 115.88 2k4j h GLU 46 Ca -0.02 -0.13 -0.01 0.00 -0.50 0.00 0.00 59.36 58.69 2k4j h GLU 46 Cb 0.40 -0.18 -0.00 0.00 -0.84 0.00 0.00 28.75 28.13 2k4j h GLU 46 CO -0.00 0.76 -0.18 -0.92 -1.40 0.00 0.00 179.01 177.26 2k4j h TYR 47 N 0.96 -0.47 -0.72 4.33 3.20 -0.72 -1.95 116.97 121.60 2k4j h TYR 47 Ca 0.23 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.15 2k4j h TYR 47 Cb 0.12 0.16 -0.06 0.00 1.54 0.00 0.00 36.73 38.49 2k4j h TYR 47 CO 0.01 -0.29 0.42 1.49 -1.64 0.00 0.00 178.16 178.15 2k4j h GLU 48 N -0.48 0.75 -0.18 1.82 4.57 -0.30 0.99 114.58 121.75 2k4j h GLU 48 Ca -0.04 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.06 2k4j h GLU 48 Cb 0.38 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 2k4j h GLU 48 CO 0.06 0.50 -0.01 -0.84 -1.18 0.00 0.00 179.01 177.54 2k4j h ILE 49 N 0.77 1.26 -0.22 2.32 3.07 -1.27 -1.87 117.51 121.57 2k4j h ILE 49 Ca 0.32 -0.88 -0.15 0.00 1.55 0.00 0.00 64.86 65.70 2k4j h ILE 49 Cb 0.17 1.48 0.00 0.00 -0.27 0.00 0.00 36.82 38.20 2k4j h ILE 49 CO -0.17 0.27 -0.45 0.25 -1.05 0.00 0.00 178.15 176.99 2k4j h LEU 50 N 0.08 0.77 -0.53 0.16 6.46 -0.99 -1.16 115.31 120.09 2k4j h LEU 50 Ca 0.05 -0.55 0.02 0.00 -0.12 0.00 0.00 57.88 57.28 2k4j h LEU 50 Cb 0.40 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 40.08 2k4j h LEU 50 CO 0.01 1.18 0.33 0.77 -0.62 0.00 0.00 178.44 180.10 2k4j h SER 51 N 0.40 0.54 -0.60 1.25 4.64 -0.87 -1.27 113.55 117.64 2k4j h SER 51 Ca 0.01 -0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 2k4j h SER 51 Cb 1.05 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 63.00 2k4j h SER 51 CO 0.10 0.38 0.10 0.25 -0.87 0.00 0.00 176.83 176.80 2k4j h LEU 52 N 0.65 0.97 -0.59 5.97 7.12 -1.29 -1.14 115.31 127.01 2k4j h LEU 52 Ca 0.21 -0.22 0.02 0.00 0.13 0.00 0.00 57.88 58.02 2k4j h LEU 52 Cb -0.01 -0.26 -0.04 0.00 -0.53 0.00 0.00 40.66 39.83 2k4j h LEU 52 CO -0.08 0.97 0.37 0.25 -0.13 0.00 0.00 178.44 179.81 2k4j h LEU 53 N 0.96 0.61 -0.67 2.25 5.85 -0.65 -0.38 115.31 123.28 2k4j h LEU 53 Ca 0.19 -0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.78 2k4j h LEU 53 Cb 0.41 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 2k4j h LEU 53 CO 0.01 0.43 -0.39 0.40 -0.34 0.00 0.00 178.44 178.56 2k4j h ILE 54 N 0.73 1.29 -0.71 4.05 1.08 -1.14 -0.96 117.51 121.86 2k4j h ILE 54 Ca 0.23 -1.54 -0.01 0.00 -0.39 0.00 0.00 64.86 63.15 2k4j h ILE 54 Cb -0.01 1.52 -0.03 0.00 -3.07 0.00 0.00 36.82 35.22 2k4j h ILE 54 CO -0.08 0.49 0.42 -1.28 -0.69 0.00 0.00 178.15 177.01 2k4j h SER 55 N 0.49 0.85 0.25 1.72 0.87 -0.36 -3.25 113.55 114.13 2k4j h SER 55 Ca 0.05 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 2k4j h SER 55 Cb 0.89 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 2k4j h SER 55 CO 0.08 0.67 -0.12 0.07 -0.53 0.00 0.00 176.83 177.00 2k4j h LYS 56 N 0.96 -0.32 0.00 2.24 2.10 -1.13 -3.51 116.57 116.91 2k4j h LYS 56 Ca 0.25 0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.92 2k4j h LYS 56 Cb -0.02 0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.38 2k4j h LYS 56 CO -0.05 -0.12 0.00 1.17 -2.00 0.00 0.00 179.45 178.45 2k4j n LYS 57 N -5.00 0.00 -0.24 0.07 0.00 -0.37 -5.08 118.16 107.54 2k4j n LYS 57 Ca -0.05 0.00 0.04 0.00 0.00 0.00 0.00 58.31 58.30 2k4j n LYS 57 Cb 0.18 0.00 0.15 0.00 0.00 0.00 0.00 35.03 35.36 2k4j n LYS 57 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 2k4j h GLY 58 N 0.00 0.84 0.00 3.14 0.00 -1.75 -3.43 103.07 101.87 2k4j h GLY 58 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.40 2k4j h GLY 58 CO 0.00 -0.24 0.00 2.98 0.00 0.00 0.00 176.54 179.28 2k4j n TYR 59 N -5.28 -0.79 -4.00 5.60 9.36 -0.87 -4.12 117.16 117.07 2k4j n TYR 59 Ca 0.12 0.00 -0.34 0.00 3.32 0.00 0.00 57.90 61.00 2k4j n TYR 59 Cb 0.44 0.18 -0.15 0.00 -0.63 0.00 0.00 39.34 39.18 2k4j n TYR 59 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2k4j s VAL 60 N 0.00 2.74 -0.96 2.97 1.01 -1.26 -1.11 120.40 123.78 2k4j s VAL 60 Ca 0.00 -0.86 -0.21 0.00 0.00 0.00 0.00 61.98 60.91 2k4j s VAL 60 Cb 0.00 -2.29 0.09 0.00 0.00 0.00 0.00 36.38 34.18 2k4j s VAL 60 CO 0.00 0.36 1.28 0.12 0.00 0.00 0.00 175.10 176.87 2k4j s PHE 61 N 1.35 2.79 0.09 5.22 5.36 -0.47 -4.81 117.98 127.52 2k4j s PHE 61 Ca 0.03 -1.06 -0.01 0.00 -0.96 0.00 0.00 56.93 54.93 2k4j s PHE 61 Cb -0.15 -4.50 -0.04 0.00 -0.34 0.00 0.00 43.02 37.99 2k4j s PHE 61 CO -0.07 -1.73 0.26 -1.12 -1.46 0.00 0.00 175.22 171.10 2k4j s SER 62 N 4.30 6.38 0.23 6.13 0.01 -1.26 -1.56 113.70 127.94 2k4j s SER 62 Ca 0.39 0.32 -0.07 0.00 1.31 0.00 0.00 55.95 57.90 2k4j s SER 62 Cb -0.03 -1.98 0.39 0.00 0.21 0.00 0.00 66.02 64.62 2k4j s SER 62 CO -0.09 0.12 1.68 0.03 0.41 0.00 0.00 173.24 175.39 2k4j h ARG 63 N 2.86 0.20 -0.24 12.44 3.08 -1.89 0.15 114.38 130.98 2k4j h ARG 63 Ca -0.46 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 59.53 2k4j h ARG 63 Cb 1.17 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.16 2k4j h ARG 63 CO 0.74 0.13 -0.04 1.49 -1.07 0.00 0.00 179.97 181.23 2k4j h GLU 64 N 0.21 0.45 -0.94 0.04 4.81 -1.82 -1.50 114.58 115.82 2k4j h GLU 64 Ca 0.38 -0.16 0.03 0.00 -0.13 0.00 0.00 59.36 59.47 2k4j h GLU 64 Cb 0.63 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.93 2k4j h GLU 64 CO -0.52 0.66 0.62 0.77 -0.73 0.00 0.00 179.01 179.81 2k4j h SER 65 N 0.20 1.04 -0.30 1.04 0.02 -1.70 0.42 113.55 114.27 2k4j h SER 65 Ca 0.06 -0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.01 2k4j h SER 65 Cb 0.48 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 2k4j h SER 65 CO 0.02 0.73 0.17 0.40 -1.14 0.00 0.00 176.83 177.01 2k4j h ILE 66 N 1.22 1.03 0.00 3.27 1.08 -0.66 0.59 117.51 124.04 2k4j h ILE 66 Ca 0.36 -0.12 0.00 0.00 -0.39 0.00 0.00 64.86 64.71 2k4j h ILE 66 Cb -0.05 0.64 0.00 0.00 -3.07 0.00 0.00 36.82 34.34 2k4j h ILE 66 CO -0.10 0.06 0.00 0.00 -0.69 0.00 0.00 178.15 177.42 2k4j h ALA 67 N 1.14 1.00 0.17 1.87 0.00 -0.66 0.29 119.26 123.07 2k4j h ALA 67 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.70 2k4j h ALA 67 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.80 2k4j h ALA 67 CO -0.06 0.00 -1.60 0.82 0.00 0.00 0.00 179.25 178.41 2k4j h ILE 68 N 0.00 1.02 0.00 0.00 2.04 -0.25 -3.35 117.51 116.98 2k4j h ILE 68 Ca 0.00 -2.50 -0.25 0.00 1.00 0.00 0.00 64.86 63.11 2k4j h ILE 68 Cb 0.27 2.80 -0.04 0.00 -0.74 0.00 0.00 36.82 39.11 2k4j h ILE 68 CO 0.00 0.81 -1.32 -0.08 0.00 0.00 0.00 178.15 177.56 2k4j h GLU 69 N -0.01 0.01 0.00 2.37 4.57 0.19 -3.42 114.58 118.29 2k4j h GLU 69 Ca -0.32 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 57.84 2k4j h GLU 69 Cb 2.00 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 30.60 2k4j h GLU 69 CO 0.16 0.79 -0.38 0.45 -1.18 0.00 0.00 179.01 178.85 2k4j n SER 70 N -3.22 1.39 -1.21 1.04 2.88 -0.01 -4.49 113.62 109.99 2k4j n SER 70 Ca -0.08 0.20 -0.12 0.00 -1.33 0.00 0.00 58.87 57.55 2k4j n SER 70 Cb 0.99 -0.47 -0.02 0.00 -0.75 0.00 0.00 64.21 63.96 2k4j n SER 70 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2k4j n GLU 71 N -3.83 -0.91 0.00 -1.46 2.13 -1.24 -4.91 120.64 110.43 2k4j n GLU 71 Ca -0.05 0.70 0.10 0.00 0.66 0.00 0.00 57.16 58.56 2k4j n GLU 71 Cb 0.19 -4.80 0.58 0.00 0.27 0.00 0.00 31.44 27.68 2k4j n GLU 71 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 2k4j n SER 72 N -0.16 0.00 -4.43 4.31 3.41 -1.26 -4.86 113.62 110.63 2k4j n SER 72 Ca -0.13 -0.57 -0.33 0.00 -0.26 0.00 0.00 58.87 57.58 2k4j n SER 72 Cb 0.53 -0.02 -0.14 0.00 -0.26 0.00 0.00 64.21 64.32 2k4j n SER 72 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2k4j s ILE 73 N -2.05 3.04 0.03 -1.33 -1.09 -1.26 -5.08 121.20 113.46 2k4j s ILE 73 Ca 0.29 -0.70 -0.27 0.00 -2.23 0.00 0.00 60.65 57.73 2k4j s ILE 73 Cb 0.14 -2.22 -0.17 0.00 -1.58 0.00 0.00 42.46 38.63 2k4j s ILE 73 CO 0.24 0.57 1.32 -1.13 -1.23 0.00 0.00 174.94 174.70 2k4j h ASN 74 N 5.88 -0.51 -3.49 3.58 -0.73 -2.01 -3.43 115.58 114.86 2k4j h ASN 74 Ca -0.38 -0.08 -0.52 0.00 1.87 0.00 0.00 56.30 57.18 2k4j h ASN 74 Cb 1.18 0.13 0.02 0.00 0.27 0.00 0.00 38.32 39.91 2k4j h ASN 74 CO 0.52 -0.19 0.54 -2.16 -0.37 0.00 0.00 177.43 175.77 2k4j s PRO 75 N -5.05 4.51 0.49 6.67 0.04 -1.26 -4.95 135.00 135.45 2k4j s PRO 75 Ca -0.15 1.85 0.33 0.00 0.04 0.00 0.00 61.00 63.07 2k4j s PRO 75 Cb 0.02 -3.25 1.57 0.00 0.04 0.00 0.00 34.50 32.88 2k4j s PRO 75 CO 0.54 -0.07 1.99 1.05 0.04 0.00 0.00 177.00 180.56 2k4j h GLU 76 N 5.26 0.00 0.00 4.56 4.11 -1.98 -1.63 114.58 124.90 2k4j h GLU 76 Ca -0.44 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 58.94 2k4j h GLU 76 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 2k4j h GLU 76 CO 0.74 0.00 -0.24 0.77 0.07 0.00 0.00 179.01 180.35 2k4j h SER 77 N 0.00 0.00 -1.85 3.06 0.02 -1.92 -3.42 113.55 109.44 2k4j h SER 77 Ca 0.00 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.68 2k4j h SER 77 Cb 0.25 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.71 2k4j h SER 77 CO 0.00 0.24 -0.27 -1.20 -1.14 0.00 0.00 176.83 174.46 2k4j n SER 78 N -3.21 -3.67 -0.17 3.07 7.64 -0.62 -4.64 113.62 112.02 2k4j n SER 78 Ca 0.02 0.30 -0.02 0.00 1.01 0.00 0.00 58.87 60.18 2k4j n SER 78 Cb 0.57 -3.35 0.07 0.00 -1.01 0.00 0.00 64.21 60.49 2k4j n SER 78 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 2k4j h ASN 79 N 0.00 0.07 0.95 6.43 -1.24 -1.93 -0.38 115.58 119.48 2k4j h ASN 79 Ca -0.28 0.08 -0.10 0.00 0.71 0.00 0.00 56.30 56.71 2k4j h ASN 79 Cb 0.95 0.10 -0.01 0.00 0.73 0.00 0.00 38.32 40.09 2k4j h ASN 79 CO 0.40 0.06 -0.49 0.50 -1.29 0.00 0.00 177.43 176.61 2k4j h LYS 80 N 0.28 0.00 0.23 6.67 1.63 -1.99 -1.41 116.57 121.99 2k4j h LYS 80 Ca 0.26 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 60.05 2k4j h LYS 80 Cb 0.33 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.96 2k4j h LYS 80 CO -0.31 0.49 -0.11 1.03 -3.45 0.00 0.00 179.45 177.10 2k4j h SER 81 N 0.00 -0.27 -0.30 4.20 0.87 -1.52 -0.90 113.55 115.63 2k4j h SER 81 Ca -0.00 -0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.50 2k4j h SER 81 Cb 1.10 0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 63.11 2k4j h SER 81 CO 0.06 -0.13 0.17 0.40 -0.53 0.00 0.00 176.83 176.80 2k4j h ILE 82 N -0.39 1.11 -0.44 2.23 5.03 -0.84 0.22 117.51 124.44 2k4j h ILE 82 Ca -0.03 -0.31 -0.01 0.00 -0.12 0.00 0.00 64.86 64.39 2k4j h ILE 82 Cb 0.30 0.68 -0.02 0.00 -3.03 0.00 0.00 36.82 34.75 2k4j h ILE 82 CO 0.05 0.13 0.22 0.44 -0.68 0.00 0.00 178.15 178.31 2k4j h ASP 83 N 0.46 0.57 -0.56 1.72 3.32 -1.19 0.17 116.42 120.91 2k4j h ASP 83 Ca 0.12 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2k4j h ASP 83 Cb 0.04 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 2k4j h ASP 83 CO -0.02 0.53 0.37 0.58 -1.72 0.00 0.00 179.24 178.98 2k4j h VAL 84 N 0.58 1.15 0.20 -1.35 2.07 0.38 -1.15 116.25 118.12 2k4j h VAL 84 Ca 0.15 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 2k4j h VAL 84 Cb 0.10 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 2k4j h VAL 84 CO -0.02 0.14 -0.09 0.40 0.02 0.00 0.00 177.57 178.02 2k4j h ILE 85 N 0.76 0.88 -0.46 4.57 1.08 -0.32 0.41 117.51 124.43 2k4j h ILE 85 Ca 0.20 -0.84 -0.02 0.00 -0.39 0.00 0.00 64.86 63.82 2k4j h ILE 85 Cb -0.08 1.35 -0.02 0.00 -3.07 0.00 0.00 36.82 35.00 2k4j h ILE 85 CO -0.04 0.18 0.21 0.40 -0.69 0.00 0.00 178.15 178.20 2k4j h ILE 86 N -0.71 1.19 -0.31 -0.67 2.04 -1.05 0.16 117.51 118.16 2k4j h ILE 86 Ca -0.03 -0.56 -0.04 0.00 1.00 0.00 0.00 64.86 65.23 2k4j h ILE 86 Cb 0.49 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 2k4j h ILE 86 CO 0.04 0.22 0.03 1.23 0.00 0.00 0.00 178.15 179.67 2k4j h GLY 87 N 0.61 0.57 1.46 5.37 0.00 -1.21 -1.69 103.07 108.18 2k4j h GLY 87 Ca 0.16 -0.39 -0.18 0.00 0.00 0.00 0.00 47.33 46.92 2k4j h GLY 87 CO -0.02 0.36 -1.13 -0.09 0.00 0.00 0.00 176.54 175.67 2k4j h ARG 88 N 0.34 0.00 0.31 4.80 2.43 -0.87 0.18 114.38 121.57 2k4j h ARG 88 Ca 0.09 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 2k4j h ARG 88 Cb 0.38 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 2k4j h ARG 88 CO 0.01 0.51 -0.15 1.25 -1.51 0.00 0.00 179.97 180.08 2k4j h LEU 89 N 0.00 -0.35 -0.73 3.80 6.46 -1.03 -0.55 115.31 122.91 2k4j h LEU 89 Ca -0.11 -0.02 0.10 0.00 -0.12 0.00 0.00 57.88 57.72 2k4j h LEU 89 Cb 1.63 0.09 -0.07 0.00 -0.73 0.00 0.00 40.66 41.58 2k4j h LEU 89 CO 0.07 -0.21 0.36 0.03 -0.62 0.00 0.00 178.44 178.08 2k4j h ARG 90 N -0.47 0.60 -0.64 1.25 3.08 -1.30 -1.42 114.38 115.48 2k4j h ARG 90 Ca -0.04 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.00 2k4j h ARG 90 Cb 0.35 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.23 2k4j h ARG 90 CO 0.07 0.39 0.40 1.03 -1.07 0.00 0.00 179.97 180.79 2k4j h SER 91 N 0.61 0.66 -0.07 7.04 0.87 -0.78 0.72 113.55 122.60 2k4j h SER 91 Ca 0.36 -0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.82 2k4j h SER 91 Cb 0.38 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 2k4j h SER 91 CO -0.27 0.46 -0.24 0.11 -0.53 0.00 0.00 176.83 176.36 2k4j h LYS 92 N 0.79 0.49 -0.00 2.24 1.79 -0.41 -0.85 116.57 120.62 2k4j h LYS 92 Ca 0.25 -0.18 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 2k4j h LYS 92 Cb 0.00 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.62 2k4j h LYS 92 CO -0.10 0.70 -0.23 0.44 -1.08 0.00 0.00 179.45 179.19 2k4j n ILE 93 N -4.13 0.00 0.10 1.86 -6.64 -0.60 -1.52 119.36 108.43 2k4j n ILE 93 Ca -0.00 -0.01 -0.23 0.00 -1.77 0.00 0.00 62.75 60.74 2k4j n ILE 93 Cb 0.40 -0.11 -0.15 0.00 -1.44 0.00 0.00 39.64 38.34 2k4j n ILE 93 CO 0.00 0.00 0.00 -0.33 -1.77 0.00 0.00 176.55 174.45 2k4j h GLU 94 N 0.11 0.43 0.14 6.28 4.39 -0.67 -3.41 114.58 121.86 2k4j h GLU 94 Ca 0.00 -0.73 -0.01 0.00 0.34 0.00 0.00 59.36 58.96 2k4j h GLU 94 Cb 0.48 0.27 0.00 0.00 -0.10 0.00 0.00 28.75 29.40 2k4j h GLU 94 CO 0.00 1.34 -0.07 -0.22 -1.16 0.00 0.00 179.01 178.90 2k4j h LYS 95 N 0.12 -0.18 -7.16 2.33 3.64 -1.15 -3.45 116.57 110.70 2k4j h LYS 95 Ca -0.30 0.01 -0.46 0.00 -1.27 0.00 0.00 60.65 58.62 2k4j h LYS 95 Cb 2.12 0.04 0.01 0.00 -0.41 0.00 0.00 32.23 33.99 2k4j h LYS 95 CO 0.21 0.27 0.37 0.54 -2.27 0.00 0.00 179.45 178.57 2k4j s ASN 96 N -5.51 6.67 0.47 4.20 2.20 -0.57 -4.99 114.94 117.41 2k4j s ASN 96 Ca -0.13 1.61 0.31 0.00 -0.94 0.00 0.00 52.86 53.71 2k4j s ASN 96 Cb 0.01 -2.52 1.26 0.00 -2.00 0.00 0.00 41.25 37.99 2k4j s ASN 96 CO 0.51 -0.56 1.91 1.55 -2.94 0.00 0.00 177.10 177.57 2k4j h PRO 97 N 1.14 0.00 -6.58 3.55 0.13 -1.88 -3.44 132.00 124.93 2k4j h PRO 97 Ca -0.47 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.13 2k4j h PRO 97 Cb 1.19 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.32 2k4j h PRO 97 CO 0.61 0.00 0.54 0.21 -0.23 0.00 0.00 178.00 179.13 2k4j s LYS 98 N -3.57 4.49 0.12 0.86 2.47 -1.26 -5.06 119.74 117.80 2k4j s LYS 98 Ca 0.02 1.78 0.05 0.00 -1.56 0.00 0.00 55.97 56.27 2k4j s LYS 98 Cb 0.09 -3.30 -0.04 0.00 -1.46 0.00 0.00 37.83 33.12 2k4j s LYS 98 CO 0.50 -0.12 -0.13 1.14 0.16 0.00 0.00 175.35 176.90 2k4j s GLN 99 N 0.33 1.01 0.64 4.03 -2.07 -1.26 -4.59 119.66 117.75 2k4j s GLN 99 Ca 0.55 -1.25 -0.11 0.00 -1.82 0.00 0.00 55.36 52.73 2k4j s GLN 99 Cb -0.30 -0.83 -0.03 0.00 -1.09 0.00 0.00 33.01 30.76 2k4j s GLN 99 CO 0.33 0.15 1.04 -1.25 -1.32 0.00 0.00 175.29 174.24 2k4j s PRO 100 N -2.80 3.42 0.00 9.60 0.04 -1.26 -4.97 135.00 139.04 2k4j s PRO 100 Ca 0.09 0.80 0.00 0.00 0.04 0.00 0.00 61.00 61.93 2k4j s PRO 100 Cb -0.04 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.44 2k4j s PRO 100 CO 0.02 -0.71 0.00 0.00 0.04 0.00 0.00 177.00 176.35 2k4j n GLN 101 N -2.85 0.00 -0.31 4.56 10.64 -1.26 -4.94 117.38 123.23 2k4j n GLN 101 Ca 0.06 0.00 0.09 0.00 -1.83 0.00 0.00 57.00 55.32 2k4j n GLN 101 Cb 0.54 0.00 0.25 0.00 -0.86 0.00 0.00 30.24 30.17 2k4j n GLN 101 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 2k4j n TYR 102 N -0.83 0.80 -5.06 2.61 4.01 -1.26 -4.81 117.16 112.62 2k4j n TYR 102 Ca 0.00 -0.38 -0.29 0.00 -0.16 0.00 0.00 57.90 57.07 2k4j n TYR 102 Cb 0.00 -0.03 -0.16 0.00 -0.31 0.00 0.00 39.34 38.84 2k4j n TYR 102 CO 0.00 0.00 0.00 -1.50 -0.46 0.00 0.00 176.86 174.90 2k4j s ILE 103 N -1.33 1.76 -0.07 -0.72 2.07 -1.26 -3.71 121.20 117.94 2k4j s ILE 103 Ca 0.37 -0.89 0.02 0.00 -1.41 0.00 0.00 60.65 58.74 2k4j s ILE 103 Cb 0.20 -1.51 0.01 0.00 0.13 0.00 0.00 42.46 41.30 2k4j s ILE 103 CO 0.24 0.50 -0.12 -0.63 -1.91 0.00 0.00 174.94 173.02 2k4j s ILE 104 N 0.02 1.14 -0.08 2.00 1.01 0.07 -4.99 121.20 120.37 2k4j s ILE 104 Ca -0.06 -0.47 -0.26 0.00 0.00 0.00 0.00 60.65 59.87 2k4j s ILE 104 Cb -0.13 -1.05 -0.03 0.00 0.01 0.00 0.00 42.46 41.25 2k4j s ILE 104 CO 0.04 0.36 0.80 -0.94 0.00 0.00 0.00 174.94 175.20 2k4j s SER 105 N 0.78 7.07 -0.43 3.58 1.04 -1.26 -0.34 113.70 124.14 2k4j s SER 105 Ca -0.12 1.30 0.03 0.00 0.48 0.00 0.00 55.95 57.64 2k4j s SER 105 Cb -0.15 -2.46 0.12 0.00 0.10 0.00 0.00 66.02 63.62 2k4j s SER 105 CO 0.02 -0.23 0.17 -0.69 0.98 0.00 0.00 173.24 173.49 2k4j s VAL 106 N 1.21 2.18 0.19 5.02 1.01 0.33 -4.97 120.40 125.37 2k4j s VAL 106 Ca 0.41 -2.71 -0.32 0.00 0.00 0.00 0.00 61.98 59.36 2k4j s VAL 106 Cb -0.18 -2.56 -0.12 0.00 0.00 0.00 0.00 36.38 33.52 2k4j s VAL 106 CO 0.19 -0.73 1.74 -1.14 0.00 0.00 0.00 175.10 175.16 2k4j n ARG 107 N 3.73 2.75 0.00 2.72 0.63 -1.26 -1.53 116.66 123.69 2k4j n ARG 107 Ca 0.04 0.99 0.00 0.00 -0.92 0.00 0.00 57.85 57.97 2k4j n ARG 107 Cb 0.37 -2.84 0.00 0.00 0.45 0.00 0.00 32.46 30.43 2k4j n ARG 107 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2k4j n GLY 108 N 3.99 2.14 0.72 5.14 0.00 -1.26 -4.85 105.19 111.07 2k4j n GLY 108 Ca 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.15 2k4j n GLY 108 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2k4j n ILE 109 N -2.00 1.30 -3.30 -0.61 2.08 -0.73 -5.07 119.36 111.03 2k4j n ILE 109 Ca 0.00 0.32 0.00 0.00 0.56 0.00 0.00 62.75 63.63 2k4j n ILE 109 Cb 0.00 -1.83 0.00 0.00 -0.75 0.00 0.00 39.64 37.06 2k4j n ILE 109 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2k4j n GLY 110 N 2.81 -0.48 3.04 7.39 0.00 -0.58 -4.31 105.19 113.06 2k4j n GLY 110 Ca -0.05 -1.29 -0.32 0.00 0.00 0.00 0.00 46.02 44.37 2k4j n GLY 110 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2k4j s TYR 111 N -2.94 3.37 0.18 1.61 1.13 -0.60 -0.51 117.35 119.58 2k4j s TYR 111 Ca 0.00 -2.51 -0.30 0.00 -1.41 0.00 0.00 57.07 52.85 2k4j s TYR 111 Cb 0.00 -2.23 -0.08 0.00 -1.10 0.00 0.00 41.96 38.55 2k4j s TYR 111 CO 0.00 -0.90 1.27 0.21 -2.51 0.00 0.00 175.55 173.62 2k4j s LYS 112 N 1.06 4.42 0.15 -3.49 2.36 0.54 -1.37 119.74 123.41 2k4j s LYS 112 Ca -0.02 1.97 -0.04 0.00 -2.55 0.00 0.00 55.97 55.32 2k4j s LYS 112 Cb -0.20 -3.23 -0.03 0.00 -1.05 0.00 0.00 37.83 33.33 2k4j s LYS 112 CO -0.06 -0.21 0.15 -1.17 1.55 0.00 0.00 175.35 175.61 2k4j s LEU 113 N 0.04 1.39 0.08 5.43 0.20 -0.27 -0.75 118.68 124.80 2k4j s LEU 113 Ca 0.56 -1.11 -0.15 0.00 0.69 0.00 0.00 54.13 54.12 2k4j s LEU 113 Cb -0.34 0.64 0.03 0.00 -0.43 0.00 0.00 46.19 46.08 2k4j s LEU 113 CO 0.36 -0.81 0.34 -1.83 -0.29 0.00 0.00 176.35 174.13 2k4j s GLU 114 N -4.03 0.94 0.00 1.98 -1.05 -1.24 -2.05 118.70 113.24 2k4j s GLU 114 Ca 0.23 -0.63 0.00 0.00 -0.15 0.00 0.00 54.97 54.42 2k4j s GLU 114 Cb 0.06 0.41 0.00 0.00 -0.44 0.00 0.00 34.13 34.15 2k4j s GLU 114 CO 0.03 -0.33 0.48 0.98 0.95 0.00 0.00 175.26 177.37