#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4j h SER 12 N 0.00 0.00 -4.05 1.61 4.64 -2.10 -3.50 113.55 110.15 2k4j h SER 12 Ca 0.00 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.42 2k4j h SER 12 Cb 0.00 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 61.86 2k4j h SER 12 CO 0.00 0.19 0.58 -1.83 -0.87 0.00 0.00 176.83 174.90 2k4j s GLU 13 N -1.23 0.55 0.00 4.77 -1.05 -1.26 -5.17 118.70 115.31 2k4j s GLU 13 Ca -0.01 0.13 0.00 0.00 -0.15 0.00 0.00 54.97 54.94 2k4j s GLU 13 Cb 0.00 0.26 0.00 0.00 -0.44 0.00 0.00 34.13 33.95 2k4j s GLU 13 CO 0.01 -0.17 0.00 -0.85 0.95 0.00 0.00 175.26 175.20 2k4j n GLU 14 N 0.69 0.00 -2.41 -4.83 0.28 -1.26 -5.15 120.64 107.96 2k4j n GLU 14 Ca -0.09 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.56 2k4j n GLU 14 Cb 0.58 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.43 2k4j n GLU 14 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2k4j s VAL 15 N 2.03 3.53 0.48 3.84 1.01 -1.26 -5.00 120.40 125.02 2k4j s VAL 15 Ca 0.00 0.95 -0.23 0.00 0.00 0.00 0.00 61.98 62.69 2k4j s VAL 15 Cb 0.00 -3.38 -0.08 0.00 0.00 0.00 0.00 36.38 32.92 2k4j s VAL 15 CO 0.00 -0.22 1.22 -1.54 0.00 0.00 0.00 175.10 174.56 2k4j n SER 16 N -1.15 2.19 -4.94 3.32 3.41 -1.26 -5.01 113.62 110.18 2k4j n SER 16 Ca 0.10 1.03 -0.26 0.00 -0.26 0.00 0.00 58.87 59.48 2k4j n SER 16 Cb 0.52 -1.49 -0.03 0.00 -0.26 0.00 0.00 64.21 62.96 2k4j n SER 16 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2k4j s GLU 17 N -2.42 3.50 0.79 4.33 2.02 -1.26 -4.78 118.70 120.87 2k4j s GLU 17 Ca 0.66 -0.42 -0.11 0.00 0.02 0.00 0.00 54.97 55.12 2k4j s GLU 17 Cb -0.48 -2.82 0.07 0.00 0.10 0.00 0.00 34.13 31.01 2k4j s GLU 17 CO 0.54 0.36 1.12 -1.25 0.02 0.00 0.00 175.26 176.05 2k4j s PRO 18 N -3.63 2.01 0.11 0.39 0.04 -1.26 -4.70 135.00 127.96 2k4j s PRO 18 Ca 0.38 1.34 0.07 0.00 0.04 0.00 0.00 61.00 62.83 2k4j s PRO 18 Cb -0.10 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.54 2k4j s PRO 18 CO 0.30 -1.85 -0.17 0.20 0.04 0.00 0.00 177.00 175.52 2k4j s GLY 19 N -2.99 1.11 0.25 0.56 0.00 -0.59 -5.02 107.32 100.64 2k4j s GLY 19 Ca 0.64 -1.22 0.08 0.00 0.00 0.00 0.00 44.72 44.22 2k4j s GLY 19 CO 0.54 -1.25 -0.11 0.51 0.00 0.00 0.00 173.10 172.78 2k4j s ASP 20 N -2.12 2.80 -0.44 1.64 -4.77 -1.26 -0.14 116.67 112.38 2k4j s ASP 20 Ca 0.06 -1.11 0.06 0.00 -3.30 0.00 0.00 52.55 48.26 2k4j s ASP 20 Cb -0.08 -0.17 0.18 0.00 -1.09 0.00 0.00 42.92 41.75 2k4j s ASP 20 CO 0.04 -0.23 0.58 0.00 0.70 0.00 0.00 175.17 176.26 2k4j s ALA 21 N -2.93 -1.58 0.00 2.11 0.00 -0.13 -4.96 121.76 114.27 2k4j s ALA 21 Ca 0.27 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.77 2k4j s ALA 21 Cb 0.01 -2.50 0.00 0.00 0.00 0.00 0.00 23.12 20.63 2k4j s ALA 21 CO 0.10 -2.19 0.00 -1.71 0.00 0.00 0.00 175.76 171.96 2k4j n ASN 22 N 3.78 0.00 0.14 0.00 4.05 -1.26 -1.64 115.26 120.34 2k4j n ASN 22 Ca 0.15 0.00 0.12 0.00 0.45 0.00 0.00 54.58 55.30 2k4j n ASN 22 Cb 0.53 0.00 0.15 0.00 1.23 0.00 0.00 39.78 41.70 2k4j n ASN 22 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 177.26 174.61 2k4j h ILE 23 N 0.00 0.00 -3.20 -1.44 2.04 -1.97 -3.48 117.51 109.46 2k4j h ILE 23 Ca 0.00 -0.84 -0.42 0.00 1.00 0.00 0.00 64.86 64.60 2k4j h ILE 23 Cb 0.00 1.62 -0.14 0.00 -0.74 0.00 0.00 36.82 37.56 2k4j h ILE 23 CO 0.00 0.00 -0.62 0.72 0.00 0.00 0.00 178.15 178.25 2k4j s PHE 24 N -3.23 1.78 -0.17 1.37 -0.71 -0.65 -1.63 117.98 114.74 2k4j s PHE 24 Ca 0.05 -1.02 -0.15 0.00 -1.04 0.00 0.00 56.93 54.76 2k4j s PHE 24 Cb 0.09 -1.11 0.05 0.00 -1.21 0.00 0.00 43.02 40.83 2k4j s PHE 24 CO 0.70 -0.11 0.45 0.50 -1.34 0.00 0.00 175.22 175.43 2k4j s ARG 25 N -3.93 0.52 -0.16 1.99 3.52 -0.40 -0.95 118.95 119.53 2k4j s ARG 25 Ca 0.36 0.64 -0.07 0.00 -0.13 0.00 0.00 55.73 56.53 2k4j s ARG 25 Cb 0.08 0.24 -0.04 0.00 -1.56 0.00 0.00 34.95 33.67 2k4j s ARG 25 CO 0.14 -0.07 0.06 0.54 -0.81 0.00 0.00 175.30 175.17 2k4j s VAL 26 N 0.31 4.82 -0.35 7.11 0.11 0.80 -0.42 120.40 132.79 2k4j s VAL 26 Ca -0.01 -0.03 -0.12 0.00 -2.93 0.00 0.00 61.98 58.89 2k4j s VAL 26 Cb -0.03 -3.14 -0.00 0.00 -1.53 0.00 0.00 36.38 31.67 2k4j s VAL 26 CO -0.00 0.50 0.22 -0.62 -3.33 0.00 0.00 175.10 171.87 2k4j s ASP 27 N 0.02 5.87 0.26 3.54 -1.08 -0.32 -1.54 116.67 123.41 2k4j s ASP 27 Ca 0.06 -0.61 0.22 0.00 -0.52 0.00 0.00 52.55 51.70 2k4j s ASP 27 Cb -0.12 -2.09 0.08 0.00 -1.46 0.00 0.00 42.92 39.33 2k4j s ASP 27 CO 0.01 -0.28 1.19 0.11 0.52 0.00 0.00 175.17 176.72 2k4j h LYS 28 N 8.46 0.00 0.00 4.34 1.57 -1.84 -1.44 116.57 127.67 2k4j h LYS 28 Ca -0.30 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.39 2k4j h LYS 28 Cb 1.14 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 2k4j h LYS 28 CO 0.65 0.06 -0.48 0.22 -0.57 0.00 0.00 179.45 179.32 2k4j h ASP 29 N 0.00 0.02 0.91 0.86 3.58 -1.91 -3.36 116.42 116.51 2k4j h ASP 29 Ca -0.02 -0.82 0.00 0.00 0.42 0.00 0.00 57.03 56.61 2k4j h ASP 29 Cb 1.08 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.12 2k4j h ASP 29 CO 0.01 1.19 -0.56 -0.24 -2.88 0.00 0.00 179.24 176.76 2k4j n SER 30 N -4.53 0.70 -2.40 2.28 2.88 -1.26 -5.01 113.62 106.28 2k4j n SER 30 Ca -0.18 0.16 -0.00 0.00 -1.33 0.00 0.00 58.87 57.51 2k4j n SER 30 Cb 0.56 0.06 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 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 -2.10 -0.83 -4.05 -1.46 3.00 -1.00 -5.08 116.66 105.14 2k4j n ARG 31 Ca 0.04 1.12 -0.09 0.00 -0.00 0.00 0.00 57.85 58.92 2k4j n ARG 31 Cb 0.43 -3.98 -0.09 0.00 0.00 0.00 0.00 32.46 28.83 2k4j n ARG 31 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2k4j s GLU 32 N -2.90 0.84 -0.04 -0.14 2.02 -0.58 -4.40 118.70 113.50 2k4j s GLU 32 Ca 0.01 -1.23 -0.01 0.00 0.02 0.00 0.00 54.97 53.76 2k4j s GLU 32 Cb -0.00 0.27 0.03 0.00 0.10 0.00 0.00 34.13 34.53 2k4j s GLU 32 CO 0.44 -0.24 0.07 0.54 0.02 0.00 0.00 175.26 176.09 2k4j s VAL 33 N -3.96 -0.07 -0.09 2.63 0.11 0.34 -1.18 120.40 118.17 2k4j s VAL 33 Ca 0.14 0.24 -0.03 0.00 -2.93 0.00 0.00 61.98 59.40 2k4j s VAL 33 Cb 0.07 -0.14 -0.03 0.00 -1.53 0.00 0.00 36.38 34.75 2k4j s VAL 33 CO -0.05 0.10 0.03 -0.31 -3.33 0.00 0.00 175.10 171.54 2k4j s TYR 34 N 1.28 3.25 0.25 1.54 2.02 0.44 -1.52 117.35 124.61 2k4j s TYR 34 Ca -0.07 0.26 0.07 0.00 -0.37 0.00 0.00 57.07 56.97 2k4j s TYR 34 Cb -0.13 -1.82 -0.04 0.00 -0.40 0.00 0.00 41.96 39.58 2k4j s TYR 34 CO -0.04 0.52 0.17 -1.64 -1.57 0.00 0.00 175.55 172.99 2k4j s MET 35 N -0.91 2.83 0.48 -0.62 -1.94 0.29 -1.28 119.30 118.16 2k4j s MET 35 Ca 0.14 -1.10 0.29 0.00 -1.71 0.00 0.00 55.69 53.30 2k4j s MET 35 Cb -0.11 -2.51 1.37 0.00 2.01 0.00 0.00 34.83 35.58 2k4j s MET 35 CO 0.03 0.40 1.79 1.25 -0.01 0.00 0.00 175.02 178.47 2k4j h HIS 36 N 1.57 0.28 0.00 -0.03 2.76 -1.70 -1.35 115.15 116.69 2k4j h HIS 36 Ca -0.48 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.70 2k4j h HIS 36 Cb 1.24 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 30.12 2k4j h HIS 36 CO 0.57 0.02 -1.27 0.39 -1.30 0.00 0.00 177.93 176.34 2k4j n GLU 37 N -4.38 0.36 -3.59 5.26 4.71 -1.26 -5.05 120.64 116.69 2k4j n GLU 37 Ca 0.25 -0.04 -0.10 0.00 -0.01 0.00 0.00 57.16 57.26 2k4j n GLU 37 Cb 1.09 -1.58 -0.05 0.00 -1.01 0.00 0.00 31.44 29.89 2k4j n GLU 37 CO 0.00 0.00 0.00 -1.59 0.09 0.00 0.00 177.13 175.63 2k4j s LYS 38 N -3.26 0.56 0.11 3.49 -2.85 -0.51 -5.03 119.74 112.25 2k4j s LYS 38 Ca 0.01 0.20 -0.26 0.00 -1.00 0.00 0.00 55.97 54.93 2k4j s LYS 38 Cb 0.14 0.26 -0.07 0.00 -2.06 0.00 0.00 37.83 36.11 2k4j s LYS 38 CO 0.84 -0.16 0.80 0.15 0.10 0.00 0.00 175.35 177.08 2k4j s LYS 39 N -0.90 4.56 0.02 1.78 -0.14 -1.26 -0.55 119.74 123.25 2k4j s LYS 39 Ca -0.01 1.16 0.00 0.00 -1.36 0.00 0.00 55.97 55.77 2k4j s LYS 39 Cb -0.01 -3.32 -0.02 0.00 -1.68 0.00 0.00 37.83 32.80 2k4j s LYS 39 CO 0.00 0.40 -0.03 -0.48 -0.76 0.00 0.00 175.35 174.48 2k4j s LEU 40 N -0.54 2.25 -0.09 3.17 0.05 -0.57 -4.89 118.68 118.05 2k4j s LEU 40 Ca 0.38 -0.52 0.19 0.00 0.05 0.00 0.00 54.13 54.24 2k4j s LEU 40 Cb -0.22 0.09 0.41 0.00 -2.05 0.00 0.00 46.19 44.42 2k4j s LEU 40 CO 0.25 -0.30 1.19 0.47 -0.55 0.00 0.00 176.35 177.41 2k4j n ASP 41 N 1.55 1.30 -4.04 1.48 8.00 -1.26 -0.51 116.55 123.07 2k4j n ASP 41 Ca -0.24 -2.82 -0.30 0.00 0.71 0.00 0.00 54.79 52.15 2k4j n ASP 41 Cb 0.55 -0.40 0.20 0.00 -0.02 0.00 0.00 41.12 41.45 2k4j n ASP 41 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2k4j s LEU 42 N -1.40 2.64 0.55 0.64 2.96 -1.26 -4.78 118.68 118.03 2k4j s LEU 42 Ca 0.35 0.23 -0.01 0.00 -0.22 0.00 0.00 54.13 54.48 2k4j s LEU 42 Cb 0.37 -2.22 0.03 0.00 0.50 0.00 0.00 46.19 44.87 2k4j s LEU 42 CO -0.12 -2.88 0.80 -0.89 -1.32 0.00 0.00 176.35 171.94 2k4j s THR 43 N -3.88 3.03 0.26 3.68 2.01 -1.26 -4.46 115.64 115.02 2k4j s THR 43 Ca 0.75 -0.49 -0.02 0.00 0.31 0.00 0.00 61.69 62.24 2k4j s THR 43 Cb -0.03 -3.16 0.24 0.00 0.01 0.00 0.00 72.50 69.55 2k4j s THR 43 CO 0.54 -0.13 1.73 -0.09 -0.69 0.00 0.00 174.62 175.98 2k4j h ARG 44 N 0.02 0.47 0.33 4.92 2.43 -1.98 0.11 114.38 120.68 2k4j h ARG 44 Ca -0.44 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 58.69 2k4j h ARG 44 Cb 1.28 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 2k4j h ARG 44 CO 0.55 0.31 -0.16 0.00 -1.51 0.00 0.00 179.97 179.17 2k4j h ALA 45 N 1.59 -0.44 -0.95 2.80 0.00 -1.98 -0.64 119.26 119.64 2k4j h ALA 45 Ca 0.46 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 55.29 2k4j h ALA 45 Cb 0.73 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.62 2k4j h ALA 45 CO -0.42 -0.67 0.61 0.93 0.00 0.00 0.00 179.25 179.71 2k4j h GLU 46 N -0.60 1.05 0.02 0.00 3.07 -1.62 -1.37 114.58 115.13 2k4j h GLU 46 Ca -0.04 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.36 58.75 2k4j h GLU 46 Cb 0.44 -0.24 0.00 0.00 -0.84 0.00 0.00 28.75 28.11 2k4j h GLU 46 CO 0.07 0.70 -0.01 -0.92 -1.40 0.00 0.00 179.01 177.45 2k4j h TYR 47 N 1.09 -0.02 -0.62 4.33 3.20 -0.77 -1.63 116.97 122.54 2k4j h TYR 47 Ca 0.41 -0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.41 2k4j h TYR 47 Cb 0.19 0.01 -0.11 0.00 1.54 0.00 0.00 36.73 38.36 2k4j h TYR 47 CO -0.00 0.08 -0.05 1.49 -1.64 0.00 0.00 178.16 178.04 2k4j h GLU 48 N -0.12 0.08 0.36 1.82 4.22 -0.04 0.14 114.58 121.03 2k4j h GLU 48 Ca -0.00 -0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.42 2k4j h GLU 48 Cb 0.11 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2k4j h GLU 48 CO 0.00 0.05 -0.17 0.82 -2.18 0.00 0.00 179.01 177.53 2k4j h ILE 49 N 0.08 0.65 -0.34 2.32 2.04 -1.23 -1.74 117.51 119.28 2k4j h ILE 49 Ca 0.32 -0.39 -0.14 0.00 1.00 0.00 0.00 64.86 65.65 2k4j h ILE 49 Cb 0.51 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 2k4j h ILE 49 CO -0.56 0.08 -0.35 0.25 0.00 0.00 0.00 178.15 177.56 2k4j h LEU 50 N -0.71 0.80 -0.19 1.44 6.46 -1.02 0.42 115.31 122.52 2k4j h LEU 50 Ca -0.05 -0.34 0.05 0.00 -0.12 0.00 0.00 57.88 57.42 2k4j h LEU 50 Cb 0.49 -0.22 -0.07 0.00 -0.73 0.00 0.00 40.66 40.13 2k4j h LEU 50 CO 0.08 1.07 -0.41 -1.28 -0.62 0.00 0.00 178.44 177.28 2k4j h SER 51 N 0.64 -1.30 -0.14 1.25 0.87 -0.78 -0.37 113.55 113.71 2k4j h SER 51 Ca 0.06 0.18 -0.04 0.00 -1.23 0.00 0.00 61.79 60.76 2k4j h SER 51 Cb 0.89 0.54 -0.01 0.00 -0.44 0.00 0.00 62.40 63.37 2k4j h SER 51 CO 0.08 -0.41 -0.03 0.25 -0.53 0.00 0.00 176.83 176.19 2k4j h LEU 52 N -0.45 0.37 -0.05 2.23 5.85 -1.03 -1.36 115.31 120.87 2k4j h LEU 52 Ca 0.09 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 2k4j h LEU 52 Cb 0.61 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.54 2k4j h LEU 52 CO -0.43 0.45 0.03 0.25 -0.34 0.00 0.00 178.44 178.41 2k4j h LEU 53 N 0.38 0.06 -0.85 2.25 5.85 -0.33 0.83 115.31 123.50 2k4j h LEU 53 Ca 0.08 -0.04 -0.12 0.00 0.84 0.00 0.00 57.88 58.65 2k4j h LEU 53 Cb 0.30 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 2k4j h LEU 53 CO 0.01 0.08 -0.54 0.40 -0.34 0.00 0.00 178.44 178.05 2k4j h ILE 54 N 0.04 1.38 -0.27 4.05 1.08 -0.87 0.33 117.51 123.25 2k4j h ILE 54 Ca 0.02 -1.86 -0.01 0.00 -0.39 0.00 0.00 64.86 62.61 2k4j h ILE 54 Cb 0.03 1.97 -0.01 0.00 -3.07 0.00 0.00 36.82 35.74 2k4j h ILE 54 CO -0.00 0.54 0.12 -1.28 -0.69 0.00 0.00 178.15 176.84 2k4j h SER 55 N 0.06 0.36 0.36 1.72 0.87 -1.02 -3.36 113.55 112.55 2k4j h SER 55 Ca -0.00 -0.14 -0.32 0.00 -1.23 0.00 0.00 61.79 60.09 2k4j h SER 55 Cb 0.98 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.83 2k4j h SER 55 CO 0.08 0.41 -1.71 0.07 -0.53 0.00 0.00 176.83 175.14 2k4j h LYS 56 N 0.30 0.21 0.00 2.24 2.10 -0.71 -3.50 116.57 117.20 2k4j h LYS 56 Ca 0.09 -0.35 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 2k4j h LYS 56 Cb 0.15 0.13 0.00 0.00 -0.90 0.00 0.00 32.23 31.61 2k4j h LYS 56 CO -0.01 1.02 0.00 0.36 -2.00 0.00 0.00 179.45 178.82 2k4j n LYS 57 N -3.38 0.00 0.17 0.07 2.85 0.09 -5.09 118.16 112.88 2k4j n LYS 57 Ca -0.21 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 56.91 2k4j n LYS 57 Cb 1.05 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 35.35 2k4j n LYS 57 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 2k4j h GLY 58 N 0.00 -1.16 0.00 2.58 0.00 -1.74 -3.43 103.07 99.32 2k4j h GLY 58 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 47.33 47.90 2k4j h GLY 58 CO 0.00 -0.33 0.00 2.98 0.00 0.00 0.00 176.54 179.19 2k4j n TYR 59 N -4.77 -1.41 -3.08 5.60 9.36 -0.41 -4.35 117.16 118.10 2k4j n TYR 59 Ca -0.08 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.71 2k4j n TYR 59 Cb 0.34 0.22 -0.06 0.00 -0.63 0.00 0.00 39.34 39.20 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 4.78 -0.36 2.97 1.01 -1.26 -1.27 120.40 126.27 2k4j s VAL 60 Ca 0.00 0.14 -0.28 0.00 0.00 0.00 0.00 61.98 61.84 2k4j s VAL 60 Cb 0.00 -4.24 0.02 0.00 0.00 0.00 0.00 36.38 32.16 2k4j s VAL 60 CO 0.00 -0.65 1.03 0.12 0.00 0.00 0.00 175.10 175.61 2k4j s PHE 61 N 2.93 3.07 0.15 5.22 5.36 0.05 -4.86 117.98 129.90 2k4j s PHE 61 Ca 0.24 0.97 0.08 0.00 -0.96 0.00 0.00 56.93 57.26 2k4j s PHE 61 Cb -0.14 -3.80 -0.04 0.00 -0.34 0.00 0.00 43.02 38.70 2k4j s PHE 61 CO 0.19 -0.87 -0.18 -1.12 -1.46 0.00 0.00 175.22 171.78 2k4j s SER 62 N 1.87 2.61 0.14 6.13 0.01 -1.26 -1.57 113.70 121.63 2k4j s SER 62 Ca 0.43 -0.83 -0.30 0.00 1.31 0.00 0.00 55.95 56.56 2k4j s SER 62 Cb -0.11 -0.15 -0.06 0.00 0.21 0.00 0.00 66.02 65.91 2k4j s SER 62 CO 0.19 -0.03 1.56 -0.09 0.41 0.00 0.00 173.24 175.28 2k4j h ARG 63 N 3.41 -0.34 -0.24 12.44 1.12 -1.95 0.75 114.38 129.56 2k4j h ARG 63 Ca -0.43 0.02 -0.02 0.00 -1.11 0.00 0.00 59.98 58.45 2k4j h ARG 63 Cb 1.20 0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 31.23 2k4j h ARG 63 CO 0.49 -0.22 0.08 0.93 -3.11 0.00 0.00 179.97 178.13 2k4j h GLU 64 N -0.35 0.37 -0.81 0.20 5.08 -1.94 -1.55 114.58 115.58 2k4j h GLU 64 Ca 0.11 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2k4j h GLU 64 Cb 0.59 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.75 2k4j h GLU 64 CO -0.61 0.44 0.48 0.77 -1.00 0.00 0.00 179.01 179.09 2k4j h SER 65 N 0.22 0.97 -0.20 1.42 0.02 -1.85 0.11 113.55 114.24 2k4j h SER 65 Ca 0.08 -0.07 0.04 0.00 -0.84 0.00 0.00 61.79 61.00 2k4j h SER 65 Cb 0.23 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.47 2k4j h SER 65 CO -0.00 0.76 -0.08 0.40 -1.14 0.00 0.00 176.83 176.76 2k4j h ILE 66 N 1.11 0.73 0.00 3.27 1.08 -0.82 -0.77 117.51 122.11 2k4j h ILE 66 Ca 0.29 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.76 2k4j h ILE 66 Cb -0.03 0.73 0.00 0.00 -3.07 0.00 0.00 36.82 34.44 2k4j h ILE 66 CO -0.05 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 177.41 2k4j h ALA 67 N 1.14 1.00 0.16 1.87 0.00 -0.60 -0.03 119.26 122.80 2k4j h ALA 67 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.70 2k4j h ALA 67 Cb 0.21 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.01 2k4j h ALA 67 CO -0.24 0.00 -1.55 0.82 0.00 0.00 0.00 179.25 178.28 2k4j h ILE 68 N 0.00 1.03 0.14 0.00 2.04 -0.29 -3.26 117.51 117.17 2k4j h ILE 68 Ca 0.00 -2.48 -0.24 0.00 1.00 0.00 0.00 64.86 63.14 2k4j h ILE 68 Cb 0.37 2.79 0.01 0.00 -0.74 0.00 0.00 36.82 39.25 2k4j h ILE 68 CO 0.00 0.79 -1.14 -0.33 0.00 0.00 0.00 178.15 177.47 2k4j h GLU 69 N -0.07 0.29 0.00 2.37 3.07 -0.75 -3.41 114.58 116.09 2k4j h GLU 69 Ca -0.31 -0.50 0.00 0.00 -0.50 0.00 0.00 59.36 58.05 2k4j h GLU 69 Cb 1.96 0.18 0.00 0.00 -0.84 0.00 0.00 28.75 30.05 2k4j h GLU 69 CO 0.14 1.24 -0.29 1.03 -1.40 0.00 0.00 179.01 179.73 2k4j h SER 70 N -0.31 0.00 -1.04 1.42 0.87 -1.27 -3.43 113.55 109.79 2k4j h SER 70 Ca -0.23 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.02 2k4j h SER 70 Cb 1.73 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 63.59 2k4j h SER 70 CO 0.12 0.48 -0.31 1.21 -0.53 0.00 0.00 176.83 177.80 2k4j n GLU 71 N -3.87 -1.09 0.18 2.24 2.13 -1.23 -4.91 120.64 114.09 2k4j n GLU 71 Ca -0.04 0.97 0.03 0.00 0.66 0.00 0.00 57.16 58.78 2k4j n GLU 71 Cb 0.15 -5.16 0.39 0.00 0.27 0.00 0.00 31.44 27.09 2k4j n GLU 71 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2k4j h SER 72 N 0.00 0.06 -3.55 4.31 0.87 -1.91 -3.40 113.55 109.93 2k4j h SER 72 Ca -0.32 -0.02 -0.61 0.00 -1.23 0.00 0.00 61.79 59.61 2k4j h SER 72 Cb 1.05 -0.02 -0.13 0.00 -0.44 0.00 0.00 62.40 62.86 2k4j h SER 72 CO 0.45 0.35 -0.34 -0.63 -0.53 0.00 0.00 176.83 176.13 2k4j s ILE 73 N -4.38 5.27 0.08 2.23 -1.09 -1.26 -5.04 121.20 117.00 2k4j s ILE 73 Ca -0.04 0.46 -0.22 0.00 -2.23 0.00 0.00 60.65 58.62 2k4j s ILE 73 Cb 0.15 -3.63 -0.13 0.00 -1.58 0.00 0.00 42.46 37.28 2k4j s ILE 73 CO 0.72 0.28 1.64 0.78 -1.23 0.00 0.00 174.94 177.13 2k4j h ASN 74 N 7.52 0.12 -2.70 3.58 4.21 -2.00 -3.39 115.58 122.92 2k4j h ASN 74 Ca -0.36 -0.13 -0.56 0.00 1.21 0.00 0.00 56.30 56.46 2k4j h ASN 74 Cb 1.17 -0.03 -0.04 0.00 -1.12 0.00 0.00 38.32 38.30 2k4j h ASN 74 CO 0.68 0.21 1.23 -2.16 -1.29 0.00 0.00 177.43 176.11 2k4j s PRO 75 N -5.68 3.27 0.44 0.81 0.04 -1.26 -4.89 135.00 127.72 2k4j s PRO 75 Ca -0.14 1.13 0.19 0.00 0.04 0.00 0.00 61.00 62.22 2k4j s PRO 75 Cb 0.06 -4.19 1.02 0.00 0.04 0.00 0.00 34.50 31.43 2k4j s PRO 75 CO 0.68 -1.94 1.93 1.05 0.04 0.00 0.00 177.00 178.76 2k4j h GLU 76 N 12.65 0.00 -0.15 4.56 4.11 -1.94 -2.30 114.58 131.51 2k4j h GLU 76 Ca -0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.12 2k4j h GLU 76 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 2k4j h GLU 76 CO 1.08 0.25 0.00 0.43 0.07 0.00 0.00 179.01 180.84 2k4j n SER 77 N -3.93 1.08 -4.60 3.06 7.64 -1.26 -4.53 113.62 111.07 2k4j n SER 77 Ca -0.02 -1.77 -0.43 0.00 1.01 0.00 0.00 58.87 57.66 2k4j n SER 77 Cb 0.33 -0.10 -0.03 0.00 -1.01 0.00 0.00 64.21 63.40 2k4j n SER 77 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2k4j s SER 78 N -1.32 5.44 0.41 6.43 0.15 -0.87 -4.87 113.70 119.07 2k4j s SER 78 Ca 0.23 1.82 0.17 0.00 0.70 0.00 0.00 55.95 58.88 2k4j s SER 78 Cb 0.12 -2.51 0.87 0.00 -1.71 0.00 0.00 66.02 62.79 2k4j s SER 78 CO 0.18 -1.99 1.86 -1.13 1.20 0.00 0.00 173.24 173.37 2k4j h ASN 79 N 15.13 0.00 0.06 5.45 -1.24 -1.91 -2.87 115.58 130.20 2k4j h ASN 79 Ca -0.40 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 56.57 2k4j h ASN 79 Cb 1.24 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.28 2k4j h ASN 79 CO 0.97 0.31 -0.14 0.11 -1.29 0.00 0.00 177.43 177.40 2k4j h LYS 80 N 0.00 0.17 -0.19 6.67 1.57 -1.98 0.17 116.57 122.97 2k4j h LYS 80 Ca -0.00 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2k4j h LYS 80 Cb 0.63 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 2k4j h LYS 80 CO 0.04 0.32 0.07 1.03 -0.57 0.00 0.00 179.45 180.34 2k4j h SER 81 N 0.16 0.27 -0.11 0.86 0.87 -1.90 -0.08 113.55 113.62 2k4j h SER 81 Ca 0.03 -0.17 -0.04 0.00 -1.23 0.00 0.00 61.79 60.38 2k4j h SER 81 Cb 0.35 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 2k4j h SER 81 CO 0.02 0.37 -0.04 -0.29 -0.53 0.00 0.00 176.83 176.36 2k4j h ILE 82 N 0.15 1.17 -0.36 2.23 6.09 -1.31 -1.68 117.51 123.80 2k4j h ILE 82 Ca 0.06 -0.71 -0.09 0.00 -1.37 0.00 0.00 64.86 62.75 2k4j h ILE 82 Cb 0.19 1.04 -0.02 0.00 0.47 0.00 0.00 36.82 38.50 2k4j h ILE 82 CO -0.00 0.23 -0.16 0.44 -3.07 0.00 0.00 178.15 175.59 2k4j h ASP 83 N 0.36 0.66 0.36 2.19 3.32 -0.49 0.21 116.42 123.04 2k4j h ASP 83 Ca 0.08 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 2k4j h ASP 83 Cb 0.31 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 2k4j h ASP 83 CO 0.01 0.84 -0.27 0.58 -1.72 0.00 0.00 179.24 178.68 2k4j h VAL 84 N 0.60 0.44 0.45 -1.35 2.07 -0.53 -0.61 116.25 117.32 2k4j h VAL 84 Ca 0.10 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.60 2k4j h VAL 84 Cb 0.62 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 2k4j h VAL 84 CO 0.04 0.00 -0.22 0.40 0.02 0.00 0.00 177.57 177.81 2k4j h ILE 85 N -0.62 0.54 0.06 4.57 2.04 -0.76 -0.45 117.51 122.89 2k4j h ILE 85 Ca -0.03 -0.21 0.01 0.00 1.00 0.00 0.00 64.86 65.62 2k4j h ILE 85 Cb 0.54 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 2k4j h ILE 85 CO 0.00 0.04 -0.09 0.40 0.00 0.00 0.00 178.15 178.50 2k4j h ILE 86 N -0.74 0.78 -0.63 -0.67 1.08 -0.71 -0.22 117.51 116.40 2k4j h ILE 86 Ca -0.06 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.35 2k4j h ILE 86 Cb 0.53 0.78 -0.03 0.00 -3.07 0.00 0.00 36.82 35.04 2k4j h ILE 86 CO 0.10 0.00 0.17 1.23 -0.69 0.00 0.00 178.15 178.96 2k4j h GLY 87 N -0.19 1.08 1.42 5.37 0.00 -1.02 -0.79 103.07 108.94 2k4j h GLY 87 Ca 0.01 -0.66 -0.21 0.00 0.00 0.00 0.00 47.33 46.47 2k4j h GLY 87 CO -0.05 0.62 -1.27 3.21 0.00 0.00 0.00 176.54 179.05 2k4j h ARG 88 N 0.92 0.00 0.24 4.80 -0.00 -1.08 -0.86 114.38 118.40 2k4j h ARG 88 Ca 0.20 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.68 2k4j h ARG 88 Cb 0.33 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 30.28 2k4j h ARG 88 CO -0.00 0.59 -0.24 1.25 0.00 0.00 0.00 179.97 181.57 2k4j h LEU 89 N 0.00 -0.65 -0.56 3.04 6.46 -0.94 -1.06 115.31 121.60 2k4j h LEU 89 Ca -0.14 0.06 0.08 0.00 -0.12 0.00 0.00 57.88 57.76 2k4j h LEU 89 Cb 1.76 0.22 -0.07 0.00 -0.73 0.00 0.00 40.66 41.85 2k4j h LEU 89 CO 0.08 -0.35 0.21 0.03 -0.62 0.00 0.00 178.44 177.79 2k4j h ARG 90 N -0.52 0.38 -0.52 1.25 2.47 -1.18 -0.98 114.38 115.29 2k4j h ARG 90 Ca -0.00 -0.02 -0.11 0.00 -1.26 0.00 0.00 59.98 58.58 2k4j h ARG 90 Cb 0.48 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.70 2k4j h ARG 90 CO -0.06 0.25 -0.11 0.66 0.56 0.00 0.00 179.97 181.28 2k4j h SER 91 N 0.39 0.96 -0.11 7.04 4.64 -0.98 0.13 113.55 125.62 2k4j h SER 91 Ca 0.28 -0.31 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2k4j h SER 91 Cb 0.32 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 2k4j h SER 91 CO -0.28 1.08 0.06 0.11 -0.87 0.00 0.00 176.83 176.93 2k4j h LYS 92 N 0.86 0.14 0.00 4.77 6.56 -0.79 -1.62 116.57 126.49 2k4j h LYS 92 Ca 0.14 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.71 2k4j h LYS 92 Cb 0.65 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.28 2k4j h LYS 92 CO 0.05 0.14 0.00 0.44 -2.06 0.00 0.00 179.45 178.02 2k4j n ILE 93 N -4.99 0.02 0.04 1.86 -6.64 -0.41 -1.56 119.36 107.69 2k4j n ILE 93 Ca -0.05 0.01 -0.22 0.00 -1.77 0.00 0.00 62.75 60.71 2k4j n ILE 93 Cb 0.05 -0.51 -0.14 0.00 -1.44 0.00 0.00 39.64 37.60 2k4j n ILE 93 CO 0.00 0.00 0.00 -0.08 -1.77 0.00 0.00 176.55 174.70 2k4j h GLU 94 N 0.00 0.32 -0.15 6.28 4.81 -0.59 -3.40 114.58 121.85 2k4j h GLU 94 Ca 0.00 -0.54 -0.17 0.00 -0.13 0.00 0.00 59.36 58.52 2k4j h GLU 94 Cb 0.34 0.20 0.01 0.00 0.63 0.00 0.00 28.75 29.93 2k4j h GLU 94 CO 0.00 1.26 -0.58 -0.22 -0.73 0.00 0.00 179.01 178.74 2k4j h LYS 95 N -0.13 0.66 -7.14 1.92 3.64 -1.19 -3.44 116.57 110.90 2k4j h LYS 95 Ca -0.31 -0.51 -0.49 0.00 -1.27 0.00 0.00 60.65 58.07 2k4j h LYS 95 Cb 1.91 0.10 0.05 0.00 -0.41 0.00 0.00 32.23 33.88 2k4j h LYS 95 CO 0.12 1.13 0.39 -0.80 -2.27 0.00 0.00 179.45 178.01 2k4j s ASN 96 N -6.83 5.92 0.36 4.20 -0.87 -0.60 -4.99 114.94 112.13 2k4j s ASN 96 Ca -0.12 1.92 0.18 0.00 -1.57 0.00 0.00 52.86 53.28 2k4j s ASN 96 Cb 0.07 -2.55 0.61 0.00 -0.02 0.00 0.00 41.25 39.36 2k4j s ASN 96 CO 0.86 -1.07 1.70 1.55 -2.57 0.00 0.00 177.10 177.56 2k4j h PRO 97 N 0.91 0.00 -6.62 -0.60 0.13 -1.85 -3.45 132.00 120.53 2k4j h PRO 97 Ca -0.48 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.12 2k4j h PRO 97 Cb 1.23 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.37 2k4j h PRO 97 CO 0.58 0.39 0.56 0.21 -0.23 0.00 0.00 178.00 179.51 2k4j s LYS 98 N -3.52 4.48 0.09 0.86 2.47 -1.26 -5.05 119.74 117.81 2k4j s LYS 98 Ca 0.01 1.85 -0.00 0.00 -1.56 0.00 0.00 55.97 56.27 2k4j s LYS 98 Cb 0.10 -3.27 -0.04 0.00 -1.46 0.00 0.00 37.83 33.17 2k4j s LYS 98 CO 0.69 -0.13 -0.02 1.14 0.16 0.00 0.00 175.35 177.19 2k4j s GLN 99 N 0.10 0.78 0.72 4.03 -2.07 -1.26 -4.63 119.66 117.32 2k4j s GLN 99 Ca 0.54 -1.33 -0.11 0.00 -1.82 0.00 0.00 55.36 52.65 2k4j s GLN 99 Cb -0.32 0.07 0.02 0.00 -1.09 0.00 0.00 33.01 31.69 2k4j s GLN 99 CO 0.35 -0.12 1.07 -1.25 -1.32 0.00 0.00 175.29 174.02 2k4j s PRO 100 N -3.93 2.70 0.00 9.60 0.04 -1.26 -4.96 135.00 137.19 2k4j s PRO 100 Ca 0.13 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.24 2k4j s PRO 100 Cb 0.07 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.65 2k4j s PRO 100 CO -0.05 -1.29 0.00 0.00 0.04 0.00 0.00 177.00 175.70 2k4j n GLN 101 N -3.20 0.00 -0.24 4.56 10.64 -1.26 -4.90 117.38 122.98 2k4j n GLN 101 Ca 0.08 0.00 0.10 0.00 -1.83 0.00 0.00 57.00 55.35 2k4j n GLN 101 Cb 0.53 -0.08 0.26 0.00 -0.86 0.00 0.00 30.24 30.10 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 -0.89 0.64 -3.60 2.61 4.01 -1.26 -4.87 117.16 113.80 2k4j n TYR 102 Ca 0.00 -0.32 -0.37 0.00 -0.16 0.00 0.00 57.90 57.05 2k4j n TYR 102 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 38.97 2k4j n TYR 102 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2k4j s ILE 103 N -1.36 5.24 -0.10 -0.72 1.09 -1.26 -3.93 121.20 120.16 2k4j s ILE 103 Ca 0.37 0.59 0.03 0.00 -1.10 0.00 0.00 60.65 60.55 2k4j s ILE 103 Cb 0.20 -3.61 0.00 0.00 -1.06 0.00 0.00 42.46 37.99 2k4j s ILE 103 CO 0.27 0.52 -0.21 -0.63 -0.10 0.00 0.00 174.94 174.79 2k4j s ILE 104 N -0.51 1.88 0.15 2.92 1.01 0.21 -5.00 121.20 121.85 2k4j s ILE 104 Ca 0.19 -0.90 -0.23 0.00 0.00 0.00 0.00 60.65 59.71 2k4j s ILE 104 Cb -0.14 -1.64 -0.08 0.00 0.01 0.00 0.00 42.46 40.61 2k4j s ILE 104 CO 0.08 0.52 0.72 -0.94 0.00 0.00 0.00 174.94 175.31 2k4j s SER 105 N 0.51 7.25 -0.44 3.58 1.04 -1.26 -0.32 113.70 124.06 2k4j s SER 105 Ca -0.16 1.51 0.03 0.00 0.48 0.00 0.00 55.95 57.82 2k4j s SER 105 Cb -0.17 -2.45 0.16 0.00 0.10 0.00 0.00 66.02 63.66 2k4j s SER 105 CO 0.06 0.19 0.33 -0.69 0.98 0.00 0.00 173.24 174.11 2k4j s VAL 106 N -1.21 0.73 0.23 5.02 1.01 0.10 -4.93 120.40 121.35 2k4j s VAL 106 Ca 0.35 -2.68 -0.32 0.00 0.00 0.00 0.00 61.98 59.34 2k4j s VAL 106 Cb -0.21 -1.51 -0.12 0.00 0.00 0.00 0.00 36.38 34.54 2k4j s VAL 106 CO 0.24 -1.13 1.66 -1.14 0.00 0.00 0.00 175.10 174.73 2k4j n ARG 107 N 3.02 2.67 -0.04 2.72 0.63 -1.26 -1.42 116.66 122.98 2k4j n ARG 107 Ca 0.23 0.96 0.00 0.00 -0.92 0.00 0.00 57.85 58.12 2k4j n ARG 107 Cb 0.43 -2.77 0.00 0.00 0.45 0.00 0.00 32.46 30.57 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 3.30 0.76 1.34 5.14 0.00 -1.26 -4.85 105.19 109.62 2k4j n GLY 108 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 0.55 0.00 -0.61 5.41 -0.75 -5.13 119.36 116.83 2k4j n ILE 109 Ca 0.00 0.18 0.00 0.00 1.00 0.00 0.00 62.75 63.93 2k4j n ILE 109 Cb 0.00 -1.22 0.00 0.00 -0.71 0.00 0.00 39.64 37.71 2k4j n ILE 109 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2k4j n GLY 110 N 2.74 -0.40 2.88 7.39 0.00 -0.51 -4.21 105.19 113.08 2k4j n GLY 110 Ca 0.00 -0.47 -0.15 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.31 -0.16 0.03 1.61 1.13 -0.61 -0.72 117.35 115.32 2k4j s TYR 111 Ca 0.00 0.51 -0.23 0.00 -1.41 0.00 0.00 57.07 55.95 2k4j s TYR 111 Cb 0.00 -0.17 -0.06 0.00 -1.10 0.00 0.00 41.96 40.63 2k4j s TYR 111 CO 0.00 -0.20 0.68 0.21 -2.51 0.00 0.00 175.55 173.72 2k4j s LYS 112 N 1.63 4.40 0.25 -3.49 2.36 0.56 -0.77 119.74 124.69 2k4j s LYS 112 Ca -0.04 0.91 -0.08 0.00 -2.55 0.00 0.00 55.97 54.21 2k4j s LYS 112 Cb -0.12 -3.34 -0.01 0.00 -1.05 0.00 0.00 37.83 33.31 2k4j s LYS 112 CO -0.06 0.36 0.38 -0.48 1.55 0.00 0.00 175.35 177.10 2k4j s LEU 113 N -0.23 0.68 -0.03 5.43 2.34 -0.40 -0.62 118.68 125.85 2k4j s LEU 113 Ca 0.34 -1.17 -0.18 0.00 0.06 0.00 0.00 54.13 53.18 2k4j s LEU 113 Cb -0.20 1.33 0.03 0.00 -0.56 0.00 0.00 46.19 46.80 2k4j s LEU 113 CO 0.20 -1.09 0.40 -1.83 -1.06 0.00 0.00 176.35 172.97 2k4j s GLU 114 N -3.87 0.75 0.00 1.48 -1.05 -1.25 -1.28 118.70 113.48 2k4j s GLU 114 Ca 0.29 -0.05 0.28 0.00 -0.15 0.00 0.00 54.97 55.34 2k4j s GLU 114 Cb 0.01 0.34 1.12 0.00 -0.44 0.00 0.00 34.13 35.17 2k4j s GLU 114 CO 0.12 -0.21 1.79 2.48 0.95 0.00 0.00 175.26 180.39