#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 -0.66 0.00 1.61 1.04 -1.26 -5.07 113.70 109.36 2k4j s SER 12 Ca 0.00 0.74 0.00 0.00 0.48 0.00 0.00 55.95 57.17 2k4j s SER 12 Cb 0.00 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.69 2k4j s SER 12 CO 0.00 -0.60 0.00 -0.62 0.98 0.00 0.00 173.24 173.00 2k4j n GLU 13 N 0.96 1.54 -2.26 4.02 1.02 -1.26 -5.13 120.64 119.53 2k4j n GLU 13 Ca -0.19 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.58 2k4j n GLU 13 Cb 0.57 -0.13 -0.01 0.00 -0.02 0.00 0.00 31.44 31.85 2k4j n GLU 13 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2k4j s GLU 14 N 0.00 3.82 0.00 3.49 1.03 -1.26 -4.97 118.70 120.81 2k4j s GLU 14 Ca 0.00 1.79 0.30 0.00 0.03 0.00 0.00 54.97 57.09 2k4j s GLU 14 Cb 0.00 -2.46 1.46 0.00 -0.80 0.00 0.00 34.13 32.32 2k4j s GLU 14 CO 0.00 -0.51 2.02 1.33 -1.33 0.00 0.00 175.26 176.77 2k4j n VAL 15 N -0.37 0.00 -3.97 1.83 0.24 -1.26 -4.83 118.33 109.96 2k4j n VAL 15 Ca 0.07 -0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.27 2k4j n VAL 15 Cb 0.48 -0.46 -0.10 0.00 -1.47 0.00 0.00 33.84 32.28 2k4j n VAL 15 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2k4j s SER 16 N -2.63 0.25 0.04 -1.34 0.01 -1.26 -5.19 113.70 103.58 2k4j s SER 16 Ca 0.26 -0.60 0.00 0.00 1.31 0.00 0.00 55.95 56.92 2k4j s SER 16 Cb 0.20 0.18 -0.03 0.00 0.21 0.00 0.00 66.02 66.58 2k4j s SER 16 CO 0.47 -0.46 -0.04 -1.61 0.41 0.00 0.00 173.24 172.02 2k4j s GLU 17 N -2.46 0.47 0.84 12.44 2.02 -1.26 -5.08 118.70 125.67 2k4j s GLU 17 Ca -0.06 -0.88 -0.12 0.00 0.02 0.00 0.00 54.97 53.93 2k4j s GLU 17 Cb -0.02 0.08 0.09 0.00 0.10 0.00 0.00 34.13 34.38 2k4j s GLU 17 CO -0.04 -0.06 1.10 -1.25 0.02 0.00 0.00 175.26 175.03 2k4j s PRO 18 N -2.44 1.73 -0.16 0.39 0.04 -1.26 -4.79 135.00 128.51 2k4j s PRO 18 Ca -0.06 0.60 -0.02 0.00 0.04 0.00 0.00 61.00 61.56 2k4j s PRO 18 Cb -0.03 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.61 2k4j s PRO 18 CO -0.04 -1.86 -0.08 0.20 0.04 0.00 0.00 177.00 175.26 2k4j s GLY 19 N -3.84 1.61 0.13 0.56 0.00 -0.50 -5.02 107.32 100.25 2k4j s GLY 19 Ca 0.62 -0.93 0.03 0.00 0.00 0.00 0.00 44.72 44.44 2k4j s GLY 19 CO 0.55 -0.01 0.16 -0.35 0.00 0.00 0.00 173.10 173.44 2k4j s ASP 20 N 0.61 5.78 -0.37 1.64 -1.08 -1.26 -0.32 116.67 121.68 2k4j s ASP 20 Ca -0.05 0.01 0.13 0.00 -0.52 0.00 0.00 52.55 52.12 2k4j s ASP 20 Cb -0.15 -1.61 0.40 0.00 -1.46 0.00 0.00 42.92 40.10 2k4j s ASP 20 CO 0.03 0.11 0.98 0.00 0.52 0.00 0.00 175.17 176.81 2k4j n ALA 21 N -0.09 2.11 -0.26 3.66 0.00 0.24 -4.93 120.51 121.24 2k4j n ALA 21 Ca -0.08 -2.67 0.00 0.00 0.00 0.00 0.00 53.44 50.69 2k4j n ALA 21 Cb 0.53 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 19.01 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 -0.01 0.00 0.12 0.00 4.13 -1.26 -1.81 115.26 116.43 2k4j n ASN 22 Ca 0.11 0.00 0.12 0.00 1.68 0.00 0.00 54.58 56.49 2k4j n ASN 22 Cb 0.77 0.00 0.05 0.00 -1.54 0.00 0.00 39.78 39.06 2k4j n ASN 22 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 2k4j h ILE 23 N 0.00 0.00 -4.57 2.41 5.03 -1.96 -3.48 117.51 114.94 2k4j h ILE 23 Ca 0.00 -0.95 -0.44 0.00 -0.12 0.00 0.00 64.86 63.36 2k4j h ILE 23 Cb 0.00 1.55 -0.11 0.00 -3.03 0.00 0.00 36.82 35.23 2k4j h ILE 23 CO 0.00 0.00 -0.42 2.22 -0.68 0.00 0.00 178.15 179.27 2k4j n PHE 24 N -2.70 -0.60 -3.74 1.37 -1.74 -0.75 -1.05 117.46 108.24 2k4j n PHE 24 Ca 0.01 -2.49 -0.13 0.00 -0.56 0.00 0.00 57.45 54.28 2k4j n PHE 24 Cb 0.53 0.23 -0.08 0.00 1.52 0.00 0.00 39.48 41.68 2k4j n PHE 24 CO 0.00 0.00 0.00 0.50 -0.56 0.00 0.00 176.76 176.70 2k4j s ARG 25 N -3.24 0.73 -0.14 3.97 3.52 -0.18 -0.59 118.95 123.02 2k4j s ARG 25 Ca 0.33 -0.26 0.00 0.00 -0.13 0.00 0.00 55.73 55.68 2k4j s ARG 25 Cb 0.02 0.32 -0.01 0.00 -1.56 0.00 0.00 34.95 33.72 2k4j s ARG 25 CO 0.24 -0.22 -0.15 0.54 -0.81 0.00 0.00 175.30 174.91 2k4j s VAL 26 N -1.67 2.80 -0.46 7.11 0.11 0.56 -0.88 120.40 127.97 2k4j s VAL 26 Ca -0.11 -0.73 -0.09 0.00 -2.93 0.00 0.00 61.98 58.11 2k4j s VAL 26 Cb -0.04 -2.18 0.11 0.00 -1.53 0.00 0.00 36.38 32.74 2k4j s VAL 26 CO 0.02 0.52 0.33 -1.81 -3.33 0.00 0.00 175.10 170.83 2k4j s ASP 27 N 0.62 5.71 0.21 3.54 1.11 0.18 -1.41 116.67 126.63 2k4j s ASP 27 Ca -0.08 -1.79 0.25 0.00 0.18 0.00 0.00 52.55 51.11 2k4j s ASP 27 Cb -0.16 -2.01 0.89 0.00 1.07 0.00 0.00 42.92 42.71 2k4j s ASP 27 CO 0.03 -0.66 1.75 0.29 1.18 0.00 0.00 175.17 177.76 2k4j n LYS 28 N 4.93 0.22 -0.04 8.23 5.02 -1.26 -1.39 118.16 133.86 2k4j n LYS 28 Ca -0.09 0.29 -0.13 0.00 -2.02 0.00 0.00 58.31 56.36 2k4j n LYS 28 Cb 0.41 -1.81 -0.08 0.00 -0.02 0.00 0.00 35.03 33.53 2k4j n LYS 28 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2k4j h ASP 29 N 0.00 0.29 0.00 4.39 3.32 -1.93 -3.26 116.42 119.23 2k4j h ASP 29 Ca 0.00 -0.52 0.00 0.00 0.02 0.00 0.00 57.03 56.53 2k4j h ASP 29 Cb 0.57 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.04 2k4j h ASP 29 CO 0.00 0.75 -1.06 -1.20 -1.72 0.00 0.00 179.24 176.01 2k4j n SER 30 N -4.61 0.89 -2.33 6.45 7.64 -1.25 -5.05 113.62 115.36 2k4j n SER 30 Ca -0.07 -0.89 -0.03 0.00 1.01 0.00 0.00 58.87 58.89 2k4j n SER 30 Cb 0.36 1.09 0.00 0.00 -1.01 0.00 0.00 64.21 64.65 2k4j n SER 30 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2k4j n ARG 31 N -1.55 -1.19 -3.70 1.43 0.63 -0.54 -5.08 116.66 106.67 2k4j n ARG 31 Ca 0.03 1.33 -0.10 0.00 -0.92 0.00 0.00 57.85 58.19 2k4j n ARG 31 Cb 0.34 -3.95 -0.05 0.00 0.45 0.00 0.00 32.46 29.25 2k4j n ARG 31 CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 2k4j s GLU 32 N -2.29 1.12 -0.06 -0.14 -1.05 -0.49 -4.44 118.70 111.36 2k4j s GLU 32 Ca 0.10 -0.80 -0.02 0.00 -0.15 0.00 0.00 54.97 54.10 2k4j s GLU 32 Cb -0.03 0.46 0.04 0.00 -0.44 0.00 0.00 34.13 34.16 2k4j s GLU 32 CO 0.44 -0.44 0.10 0.14 0.95 0.00 0.00 175.26 176.45 2k4j s VAL 33 N -3.84 -0.16 -0.19 1.83 -7.23 0.63 -0.65 120.40 110.81 2k4j s VAL 33 Ca 0.06 0.36 -0.04 0.00 -1.81 0.00 0.00 61.98 60.55 2k4j s VAL 33 Cb 0.02 -0.20 -0.02 0.00 0.56 0.00 0.00 36.38 36.73 2k4j s VAL 33 CO -0.09 0.15 -0.04 -0.31 -0.31 0.00 0.00 175.10 174.50 2k4j s TYR 34 N 2.03 2.98 0.29 2.82 1.51 -0.06 -0.83 117.35 126.08 2k4j s TYR 34 Ca 0.02 -0.57 -0.08 0.00 -1.01 0.00 0.00 57.07 55.43 2k4j s TYR 34 Cb -0.12 -2.03 -0.06 0.00 -0.11 0.00 0.00 41.96 39.64 2k4j s TYR 34 CO -0.04 -0.27 0.59 -1.64 -1.11 0.00 0.00 175.55 173.08 2k4j s MET 35 N 0.89 3.72 0.58 -0.62 -1.94 -0.41 -1.01 119.30 120.51 2k4j s MET 35 Ca -0.00 0.18 0.30 0.00 -1.71 0.00 0.00 55.69 54.46 2k4j s MET 35 Cb -0.15 -2.60 1.44 0.00 2.01 0.00 0.00 34.83 35.53 2k4j s MET 35 CO 0.01 0.21 1.84 1.25 -0.01 0.00 0.00 175.02 178.32 2k4j h HIS 36 N 1.93 0.00 0.11 -0.03 2.76 -1.46 -1.03 115.15 117.43 2k4j h HIS 36 Ca -0.47 0.00 -0.27 0.00 -2.20 0.00 0.00 60.37 57.43 2k4j h HIS 36 Cb 1.18 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.14 2k4j h HIS 36 CO 0.59 0.00 -1.22 0.93 -1.30 0.00 0.00 177.93 176.94 2k4j h GLU 37 N 0.00 0.24 0.00 5.26 5.08 -1.94 -3.50 114.58 119.72 2k4j h GLU 37 Ca 0.30 -0.41 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2k4j h GLU 37 Cb 1.51 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.91 2k4j h GLU 37 CO -0.00 1.19 0.00 0.36 -1.00 0.00 0.00 179.01 179.56 2k4j n LYS 38 N -3.51 0.00 -3.02 2.33 2.85 -0.39 -5.14 118.16 111.29 2k4j n LYS 38 Ca -0.08 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.83 2k4j n LYS 38 Cb 1.01 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 35.33 2k4j n LYS 38 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 2k4j s LYS 39 N -2.00 4.26 0.09 -1.58 -2.85 -1.26 -1.29 119.74 115.11 2k4j s LYS 39 Ca 0.00 0.94 0.01 0.00 -1.00 0.00 0.00 55.97 55.92 2k4j s LYS 39 Cb 0.00 -2.68 -0.04 0.00 -2.06 0.00 0.00 37.83 33.05 2k4j s LYS 39 CO 0.00 0.27 -0.06 -0.51 0.10 0.00 0.00 175.35 175.15 2k4j s LEU 40 N -2.36 2.51 0.00 2.77 1.43 -0.01 -4.91 118.68 118.10 2k4j s LEU 40 Ca 0.49 -1.00 0.17 0.00 -1.03 0.00 0.00 54.13 52.75 2k4j s LEU 40 Cb -0.15 -0.02 0.28 0.00 0.03 0.00 0.00 46.19 46.32 2k4j s LEU 40 CO 0.20 -0.49 1.10 0.47 0.23 0.00 0.00 176.35 177.86 2k4j n ASP 41 N -0.01 0.62 -4.71 2.29 8.00 -1.26 -0.27 116.55 121.21 2k4j n ASP 41 Ca -0.12 -1.99 -0.23 0.00 0.71 0.00 0.00 54.79 53.15 2k4j n ASP 41 Cb 0.61 -0.25 0.10 0.00 -0.02 0.00 0.00 41.12 41.56 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 0.00 3.00 0.75 0.64 2.96 -1.26 -4.80 118.68 119.96 2k4j s LEU 42 Ca 0.22 -0.36 -0.07 0.00 -0.22 0.00 0.00 54.13 53.70 2k4j s LEU 42 Cb 0.25 -2.02 0.09 0.00 0.50 0.00 0.00 46.19 45.01 2k4j s LEU 42 CO -0.11 -1.79 1.06 0.28 -1.32 0.00 0.00 176.35 174.47 2k4j s THR 43 N -3.10 2.21 0.30 3.68 -1.32 -1.26 -4.51 115.64 111.64 2k4j s THR 43 Ca 0.65 -0.28 0.04 0.00 -1.21 0.00 0.00 61.69 60.90 2k4j s THR 43 Cb -0.06 -2.94 0.32 0.00 -1.51 0.00 0.00 72.50 68.31 2k4j s THR 43 CO 0.44 0.00 1.65 0.03 -2.21 0.00 0.00 174.62 174.52 2k4j h ARG 44 N -0.75 0.22 -0.09 7.08 3.08 -1.98 0.22 114.38 122.17 2k4j h ARG 44 Ca -0.43 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 59.55 2k4j h ARG 44 Cb 1.30 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.30 2k4j h ARG 44 CO 0.54 0.15 -0.14 0.00 -1.07 0.00 0.00 179.97 179.44 2k4j h ALA 45 N 1.80 0.13 -0.72 0.04 0.00 -1.93 -1.22 119.26 117.36 2k4j h ALA 45 Ca 0.59 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 2k4j h ALA 45 Cb 1.22 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 2k4j h ALA 45 CO -0.65 0.02 0.23 0.93 0.00 0.00 0.00 179.25 179.79 2k4j h GLU 46 N -0.21 1.11 -0.00 0.00 3.07 -1.57 -1.77 114.58 115.21 2k4j h GLU 46 Ca 0.01 -0.23 0.02 0.00 -0.50 0.00 0.00 59.36 58.66 2k4j h GLU 46 Cb 0.71 -0.17 -0.03 0.00 -0.84 0.00 0.00 28.75 28.42 2k4j h GLU 46 CO 0.03 0.94 -0.15 -0.92 -1.40 0.00 0.00 179.01 177.52 2k4j h TYR 47 N 1.07 -0.37 -0.64 4.33 3.20 -0.64 -1.14 116.97 122.78 2k4j h TYR 47 Ca 0.24 0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.20 2k4j h TYR 47 Cb 0.29 0.17 -0.07 0.00 1.54 0.00 0.00 36.73 38.66 2k4j h TYR 47 CO 0.02 -0.22 0.29 1.49 -1.64 0.00 0.00 178.16 178.10 2k4j h GLU 48 N -0.24 0.49 -0.24 1.82 4.57 -0.53 0.14 114.58 120.59 2k4j h GLU 48 Ca 0.05 -0.03 -0.09 0.00 -1.18 0.00 0.00 59.36 58.11 2k4j h GLU 48 Cb 0.31 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.78 2k4j h GLU 48 CO -0.14 0.33 -0.19 -0.84 -1.18 0.00 0.00 179.01 176.98 2k4j h ILE 49 N 0.51 1.31 0.10 2.32 -0.00 -1.23 -1.85 117.51 118.66 2k4j h ILE 49 Ca 0.31 -1.33 -0.00 0.00 -0.00 0.00 0.00 64.86 63.84 2k4j h ILE 49 Cb 0.33 1.65 0.00 0.00 -0.00 0.00 0.00 36.82 38.80 2k4j h ILE 49 CO -0.27 0.41 -0.05 0.25 -0.00 0.00 0.00 178.15 178.50 2k4j h LEU 50 N 0.26 -0.11 -0.60 0.16 6.46 -0.71 -0.13 115.31 120.65 2k4j h LEU 50 Ca 0.04 -0.18 0.06 0.00 -0.12 0.00 0.00 57.88 57.69 2k4j h LEU 50 Cb 0.73 0.03 -0.08 0.00 -0.73 0.00 0.00 40.66 40.61 2k4j h LEU 50 CO 0.05 0.11 -0.46 -1.28 -0.62 0.00 0.00 178.44 176.25 2k4j h SER 51 N -0.34 -1.62 0.20 1.25 0.87 -0.83 0.09 113.55 113.18 2k4j h SER 51 Ca -0.01 0.23 -0.07 0.00 -1.23 0.00 0.00 61.79 60.71 2k4j h SER 51 Cb 0.28 0.69 -0.01 0.00 -0.44 0.00 0.00 62.40 62.92 2k4j h SER 51 CO 0.02 -0.24 -0.29 0.25 -0.53 0.00 0.00 176.83 176.05 2k4j h LEU 52 N -0.13 0.14 -0.07 2.23 7.12 -1.19 -0.87 115.31 122.54 2k4j h LEU 52 Ca 0.10 -0.04 -0.04 0.00 0.13 0.00 0.00 57.88 58.03 2k4j h LEU 52 Cb 0.38 -0.04 -0.00 0.00 -0.53 0.00 0.00 40.66 40.48 2k4j h LEU 52 CO -0.63 0.43 -0.10 0.25 -0.13 0.00 0.00 178.44 178.26 2k4j h LEU 53 N 0.13 0.20 -0.92 2.25 6.46 -0.62 -0.74 115.31 122.07 2k4j h LEU 53 Ca 0.02 -0.53 -0.01 0.00 -0.12 0.00 0.00 57.88 57.24 2k4j h LEU 53 Cb 0.58 -0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 40.41 2k4j h LEU 53 CO 0.04 0.69 0.55 0.40 -0.62 0.00 0.00 178.44 179.51 2k4j h ILE 54 N -0.28 1.25 -0.74 4.05 1.08 -0.88 -0.03 117.51 121.95 2k4j h ILE 54 Ca 0.01 -0.55 -0.01 0.00 -0.39 0.00 0.00 64.86 63.92 2k4j h ILE 54 Cb 0.65 -0.04 -0.04 0.00 -3.07 0.00 0.00 36.82 34.32 2k4j h ILE 54 CO 0.02 0.26 0.43 -1.28 -0.69 0.00 0.00 178.15 176.90 2k4j h SER 55 N 1.26 0.91 0.87 1.72 0.87 -1.02 -3.21 113.55 114.94 2k4j h SER 55 Ca 0.33 -0.08 -0.17 0.00 -1.23 0.00 0.00 61.79 60.64 2k4j h SER 55 Cb -0.05 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 61.65 2k4j h SER 55 CO -0.06 0.72 -1.22 0.07 -0.53 0.00 0.00 176.83 175.80 2k4j h LYS 56 N 1.02 0.00 0.00 2.24 2.10 -1.02 -3.50 116.57 117.41 2k4j h LYS 56 Ca 0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.91 2k4j h LYS 56 Cb -0.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.32 2k4j h LYS 56 CO -0.05 0.42 0.00 1.17 -2.00 0.00 0.00 179.45 178.99 2k4j n LYS 57 N -3.02 0.00 -0.27 0.07 4.81 -0.03 -5.03 118.16 114.69 2k4j n LYS 57 Ca -0.07 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.43 2k4j n LYS 57 Cb 0.85 0.00 0.17 0.00 0.02 0.00 0.00 35.03 36.08 2k4j n LYS 57 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 2k4j h GLY 58 N 0.00 0.89 0.00 3.14 0.00 -1.74 -3.42 103.07 101.94 2k4j h GLY 58 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.44 2k4j h GLY 58 CO 0.00 -0.31 0.00 2.98 0.00 0.00 0.00 176.54 179.21 2k4j n TYR 59 N -5.36 0.00 -4.60 5.60 9.36 -0.67 -4.04 117.16 117.45 2k4j n TYR 59 Ca 0.15 0.00 -0.26 0.00 3.32 0.00 0.00 57.90 61.11 2k4j n TYR 59 Cb 0.51 0.02 -0.17 0.00 -0.63 0.00 0.00 39.34 39.07 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 1.29 -0.59 2.97 1.01 -1.26 -1.34 120.40 122.48 2k4j s VAL 60 Ca 0.00 -0.56 -0.26 0.00 0.00 0.00 0.00 61.98 61.16 2k4j s VAL 60 Cb 0.00 -1.18 -0.05 0.00 0.00 0.00 0.00 36.38 35.15 2k4j s VAL 60 CO 0.00 0.39 2.14 -0.36 0.00 0.00 0.00 175.10 177.27 2k4j s PHE 61 N 0.74 1.38 -0.07 5.22 0.08 0.38 -4.88 117.98 120.82 2k4j s PHE 61 Ca -0.13 1.20 0.05 0.00 0.12 0.00 0.00 56.93 58.17 2k4j s PHE 61 Cb -0.16 -3.82 -0.01 0.00 -0.57 0.00 0.00 43.02 38.46 2k4j s PHE 61 CO 0.03 -2.31 -0.23 -1.12 -0.10 0.00 0.00 175.22 171.48 2k4j s SER 62 N 10.06 3.22 0.10 1.36 0.01 -1.26 -1.64 113.70 125.55 2k4j s SER 62 Ca 0.82 -0.48 -0.19 0.00 1.31 0.00 0.00 55.95 57.41 2k4j s SER 62 Cb -0.14 -0.98 -0.04 0.00 0.21 0.00 0.00 66.02 65.07 2k4j s SER 62 CO 0.21 0.23 0.96 0.54 0.41 0.00 0.00 173.24 175.59 2k4j n ARG 63 N 3.02 -0.27 -0.13 12.44 1.74 -1.25 -0.50 116.66 131.71 2k4j n ARG 63 Ca -0.18 0.94 -0.10 0.00 -0.77 0.00 0.00 57.85 57.74 2k4j n ARG 63 Cb 0.52 -1.38 -0.01 0.00 -1.02 0.00 0.00 32.46 30.57 2k4j n ARG 63 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2k4j h GLU 64 N 0.00 0.62 -0.70 5.56 3.07 -1.84 -1.38 114.58 119.92 2k4j h GLU 64 Ca 0.10 -0.16 -0.03 0.00 -0.50 0.00 0.00 59.36 58.78 2k4j h GLU 64 Cb 0.26 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.06 2k4j h GLU 64 CO -0.58 0.67 0.33 1.03 -1.40 0.00 0.00 179.01 179.06 2k4j h SER 65 N 0.47 0.90 0.06 1.42 0.87 -1.44 -0.65 113.55 115.18 2k4j h SER 65 Ca 0.12 -0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2k4j h SER 65 Cb 0.35 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 2k4j h SER 65 CO 0.01 0.76 -0.03 0.40 -0.53 0.00 0.00 176.83 177.44 2k4j h ILE 66 N 0.99 1.01 0.00 2.23 1.08 -0.61 0.52 117.51 122.73 2k4j h ILE 66 Ca 0.24 -0.21 -0.01 0.00 -0.39 0.00 0.00 64.86 64.50 2k4j h ILE 66 Cb 0.11 1.15 -0.00 0.00 -3.07 0.00 0.00 36.82 35.00 2k4j h ILE 66 CO -0.03 0.05 -0.02 0.00 -0.69 0.00 0.00 178.15 177.46 2k4j h ALA 67 N 0.77 1.80 -0.04 1.87 0.00 -0.98 0.13 119.26 122.81 2k4j h ALA 67 Ca -0.01 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 2k4j h ALA 67 Cb 0.15 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.94 2k4j h ALA 67 CO 0.01 0.03 -0.48 0.82 0.00 0.00 0.00 179.25 179.64 2k4j h ILE 68 N 0.00 1.43 0.00 0.00 2.04 -0.76 -3.29 117.51 116.92 2k4j h ILE 68 Ca -0.00 -1.93 -0.29 0.00 1.00 0.00 0.00 64.86 63.64 2k4j h ILE 68 Cb 0.05 2.46 -0.05 0.00 -0.74 0.00 0.00 36.82 38.53 2k4j h ILE 68 CO 0.00 0.56 -2.18 1.21 0.00 0.00 0.00 178.15 177.74 2k4j n GLU 69 N -4.30 0.67 -0.14 2.37 4.07 0.14 -4.57 120.64 118.89 2k4j n GLU 69 Ca -0.09 0.02 -0.26 0.00 -0.06 0.00 0.00 57.16 56.76 2k4j n GLU 69 Cb 0.60 -1.57 -0.10 0.00 -0.06 0.00 0.00 31.44 30.30 2k4j n GLU 69 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 2k4j n SER 70 N -2.73 1.96 -0.41 4.31 3.41 0.38 -4.61 113.62 115.94 2k4j n SER 70 Ca -0.25 0.21 -0.05 0.00 -0.26 0.00 0.00 58.87 58.51 2k4j n SER 70 Cb 1.04 -0.70 -0.02 0.00 -0.26 0.00 0.00 64.21 64.27 2k4j n SER 70 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2k4j n GLU 71 N -3.97 -1.23 0.23 4.33 2.13 -1.17 -4.88 120.64 116.07 2k4j n GLU 71 Ca -0.52 0.59 0.12 0.00 0.66 0.00 0.00 57.16 58.00 2k4j n GLU 71 Cb 0.91 -4.65 0.41 0.00 0.27 0.00 0.00 31.44 28.38 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 0.00 -4.12 4.31 0.87 -1.89 -3.44 113.55 109.28 2k4j h SER 72 Ca -0.11 0.00 -0.69 0.00 -1.23 0.00 0.00 61.79 59.76 2k4j h SER 72 Cb 0.78 0.00 -0.25 0.00 -0.44 0.00 0.00 62.40 62.49 2k4j h SER 72 CO 0.16 0.14 -0.79 -0.63 -0.53 0.00 0.00 176.83 175.18 2k4j s ILE 73 N -3.47 2.87 0.04 2.23 -1.09 -1.26 -5.09 121.20 115.42 2k4j s ILE 73 Ca 0.03 -0.80 -0.26 0.00 -2.23 0.00 0.00 60.65 57.39 2k4j s ILE 73 Cb 0.08 -2.10 -0.17 0.00 -1.58 0.00 0.00 42.46 38.69 2k4j s ILE 73 CO 0.63 0.59 1.43 0.78 -1.23 0.00 0.00 174.94 177.13 2k4j h ASN 74 N 5.40 -0.34 -3.85 3.58 4.21 -2.00 -3.45 115.58 119.13 2k4j h ASN 74 Ca -0.45 -0.12 -0.51 0.00 1.21 0.00 0.00 56.30 56.43 2k4j h ASN 74 Cb 1.15 0.09 0.03 0.00 -1.12 0.00 0.00 38.32 38.47 2k4j h ASN 74 CO 0.50 -0.07 0.50 -2.16 -1.29 0.00 0.00 177.43 174.91 2k4j s PRO 75 N -5.24 4.46 0.52 0.81 0.04 -1.26 -4.95 135.00 129.38 2k4j s PRO 75 Ca -0.15 1.85 0.32 0.00 0.04 0.00 0.00 61.00 63.06 2k4j s PRO 75 Cb 0.03 -3.03 1.29 0.00 0.04 0.00 0.00 34.50 32.83 2k4j s PRO 75 CO 0.59 0.04 1.95 0.93 0.04 0.00 0.00 177.00 180.55 2k4j h GLU 76 N 3.45 0.00 0.00 4.56 5.08 -1.96 -2.11 114.58 123.60 2k4j h GLU 76 Ca -0.47 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.85 2k4j h GLU 76 Cb 1.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 2k4j h GLU 76 CO 0.66 0.00 -0.19 1.03 -1.00 0.00 0.00 179.01 179.50 2k4j h SER 77 N 0.00 0.00 0.00 1.42 0.87 -1.92 -3.37 113.55 110.55 2k4j h SER 77 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2k4j h SER 77 Cb 0.52 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 2k4j h SER 77 CO 0.00 0.19 0.00 -1.54 -0.53 0.00 0.00 176.83 174.95 2k4j n SER 78 N -3.41 0.00 -0.34 6.23 3.41 -0.80 -4.70 113.62 114.02 2k4j n SER 78 Ca -0.00 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.70 2k4j n SER 78 Cb 0.38 -1.63 0.26 0.00 -0.26 0.00 0.00 64.21 62.96 2k4j n SER 78 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 2k4j h ASN 79 N 0.00 0.75 1.41 4.04 -1.24 -1.92 0.24 115.58 118.87 2k4j h ASN 79 Ca 0.00 0.08 0.00 0.00 0.71 0.00 0.00 56.30 57.09 2k4j h ASN 79 Cb 0.00 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 38.99 2k4j h ASN 79 CO 0.00 0.33 -0.44 0.11 -1.29 0.00 0.00 177.43 176.14 2k4j h LYS 80 N 0.80 0.00 0.51 6.67 1.57 -1.98 0.02 116.57 124.15 2k4j h LYS 80 Ca 0.51 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.27 2k4j h LYS 80 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.99 2k4j h LYS 80 CO -0.33 0.00 -0.24 1.03 -0.57 0.00 0.00 179.45 179.33 2k4j h SER 81 N 0.00 -0.58 -0.51 0.86 0.87 -1.03 -2.59 113.55 110.57 2k4j h SER 81 Ca 0.00 -0.01 0.06 0.00 -1.23 0.00 0.00 61.79 60.61 2k4j h SER 81 Cb 0.93 0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 63.01 2k4j h SER 81 CO 0.00 -0.36 0.34 0.40 -0.53 0.00 0.00 176.83 176.68 2k4j h ILE 82 N -0.76 0.98 -0.59 2.23 1.08 -0.85 0.48 117.51 120.09 2k4j h ILE 82 Ca -0.07 -0.16 -0.01 0.00 -0.39 0.00 0.00 64.86 64.24 2k4j h ILE 82 Cb 0.56 0.49 -0.03 0.00 -3.07 0.00 0.00 36.82 34.76 2k4j h ILE 82 CO 0.11 0.08 0.34 0.44 -0.69 0.00 0.00 178.15 178.44 2k4j h ASP 83 N 0.45 0.72 -0.52 1.72 3.32 -1.00 0.30 116.42 121.41 2k4j h ASP 83 Ca 0.22 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 2k4j h ASP 83 Cb 0.30 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 2k4j h ASP 83 CO -0.06 0.58 0.26 0.58 -1.72 0.00 0.00 179.24 178.88 2k4j h VAL 84 N 0.79 1.19 0.83 -1.35 2.07 -0.56 -0.76 116.25 118.45 2k4j h VAL 84 Ca 0.21 -0.52 -0.04 0.00 0.82 0.00 0.00 66.70 67.17 2k4j h VAL 84 Cb 0.01 0.58 0.01 0.00 -1.52 0.00 0.00 31.29 30.37 2k4j h VAL 84 CO -0.04 0.21 -0.40 0.40 0.02 0.00 0.00 177.57 177.76 2k4j h ILE 85 N 0.69 0.12 -0.13 4.57 2.04 -0.68 -0.09 117.51 124.02 2k4j h ILE 85 Ca 0.18 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.93 2k4j h ILE 85 Cb 0.10 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.30 2k4j h ILE 85 CO -0.02 0.01 0.08 0.40 0.00 0.00 0.00 178.15 178.61 2k4j h ILE 86 N -1.20 1.08 -0.41 -0.67 2.04 -1.01 -0.85 117.51 116.48 2k4j h ILE 86 Ca -0.11 -0.21 -0.14 0.00 1.00 0.00 0.00 64.86 65.40 2k4j h ILE 86 Cb 0.86 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 2k4j h ILE 86 CO 0.19 0.07 -0.28 1.23 0.00 0.00 0.00 178.15 179.36 2k4j h GLY 87 N 0.13 1.00 1.76 5.37 0.00 -1.17 -0.12 103.07 110.04 2k4j h GLY 87 Ca 0.05 -0.95 -0.25 0.00 0.00 0.00 0.00 47.33 46.18 2k4j h GLY 87 CO -0.01 0.86 -1.14 -0.09 0.00 0.00 0.00 176.54 176.16 2k4j h ARG 88 N 0.74 0.18 0.14 4.80 9.65 -0.99 -0.06 114.38 128.84 2k4j h ARG 88 Ca 0.08 -0.30 -0.00 0.00 -1.10 0.00 0.00 59.98 58.66 2k4j h ARG 88 Cb 0.86 0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 29.55 2k4j h ARG 88 CO 0.08 1.14 -0.08 1.25 2.80 0.00 0.00 179.97 185.15 2k4j h LEU 89 N 0.05 -0.21 -0.57 3.80 6.46 -1.15 -1.07 115.31 122.62 2k4j h LEU 89 Ca -0.09 0.01 0.09 0.00 -0.12 0.00 0.00 57.88 57.78 2k4j h LEU 89 Cb 1.88 0.06 -0.07 0.00 -0.73 0.00 0.00 40.66 41.80 2k4j h LEU 89 CO 0.18 -0.14 0.17 0.03 -0.62 0.00 0.00 178.44 178.06 2k4j h ARG 90 N -0.22 0.32 -0.43 1.25 -0.00 -0.97 -0.76 114.38 113.57 2k4j h ARG 90 Ca -0.01 -0.02 0.02 0.00 -0.50 0.00 0.00 59.98 59.47 2k4j h ARG 90 Cb 0.18 -0.07 -0.03 0.00 0.00 0.00 0.00 29.97 30.05 2k4j h ARG 90 CO 0.01 0.21 0.24 1.03 0.00 0.00 0.00 179.97 181.47 2k4j h SER 91 N 0.33 0.38 0.03 7.04 0.87 -0.79 0.28 113.55 121.69 2k4j h SER 91 Ca 0.29 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.86 2k4j h SER 91 Cb 0.39 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 2k4j h SER 91 CO -0.33 0.28 -0.01 0.11 -0.53 0.00 0.00 176.83 176.34 2k4j h LYS 92 N 0.49 -0.03 0.00 2.24 1.79 -0.68 -1.74 116.57 118.64 2k4j h LYS 92 Ca 0.17 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 2k4j h LYS 92 Cb 0.03 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 2k4j h LYS 92 CO -0.09 0.06 0.00 -0.84 -1.08 0.00 0.00 179.45 177.50 2k4j h ILE 93 N -0.12 0.00 0.13 1.86 -0.00 -0.91 -0.68 117.51 117.79 2k4j h ILE 93 Ca -0.00 -0.47 -0.25 0.00 -0.00 0.00 0.00 64.86 64.14 2k4j h ILE 93 Cb 0.11 1.39 0.01 0.00 -0.00 0.00 0.00 36.82 38.33 2k4j h ILE 93 CO 0.01 0.00 -1.24 -0.08 -0.00 0.00 0.00 178.15 176.84 2k4j h GLU 94 N 0.00 0.28 0.06 0.16 4.81 -0.95 -3.41 114.58 115.53 2k4j h GLU 94 Ca 0.00 -0.47 -0.27 0.00 -0.13 0.00 0.00 59.36 58.49 2k4j h GLU 94 Cb 0.64 0.18 0.02 0.00 0.63 0.00 0.00 28.75 30.22 2k4j h GLU 94 CO 0.00 1.23 -1.12 -0.22 -0.73 0.00 0.00 179.01 178.17 2k4j h LYS 95 N -0.30 0.55 -7.23 1.92 3.64 -1.17 -3.46 116.57 110.52 2k4j h LYS 95 Ca -0.25 -0.68 -0.45 0.00 -1.27 0.00 0.00 60.65 58.00 2k4j h LYS 95 Cb 1.75 0.21 0.07 0.00 -0.41 0.00 0.00 32.23 33.85 2k4j h LYS 95 CO 0.10 1.28 0.19 0.54 -2.27 0.00 0.00 179.45 179.29 2k4j s ASN 96 N -7.28 4.87 0.00 4.20 2.20 -0.27 -5.01 114.94 113.64 2k4j s ASN 96 Ca -0.08 0.38 0.31 0.00 -0.94 0.00 0.00 52.86 52.53 2k4j s ASN 96 Cb 0.07 -1.06 1.72 0.00 -2.00 0.00 0.00 41.25 39.99 2k4j s ASN 96 CO 0.91 -1.54 2.13 -0.81 -2.94 0.00 0.00 177.10 174.84 2k4j n PRO 97 N -2.84 1.07 -2.32 3.55 -0.04 -1.26 -4.77 135.00 128.38 2k4j n PRO 97 Ca 0.08 -0.17 -0.37 0.00 -0.04 0.00 0.00 63.50 63.00 2k4j n PRO 97 Cb 0.60 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.53 2k4j n PRO 97 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2k4j s LYS 98 N -2.05 3.02 0.30 0.54 2.36 -1.26 -5.01 119.74 117.63 2k4j s LYS 98 Ca 0.45 -0.26 -0.23 0.00 -2.55 0.00 0.00 55.97 53.38 2k4j s LYS 98 Cb 0.22 -4.70 -0.09 0.00 -1.05 0.00 0.00 37.83 32.20 2k4j s LYS 98 CO 0.37 -2.56 0.86 -0.65 1.55 0.00 0.00 175.35 174.92 2k4j s GLN 99 N 6.14 4.41 0.63 4.03 -0.21 -1.26 -4.67 119.66 128.72 2k4j s GLN 99 Ca 0.53 1.12 -0.12 0.00 0.02 0.00 0.00 55.36 56.91 2k4j s GLN 99 Cb -0.07 -2.76 -0.03 0.00 1.00 0.00 0.00 33.01 31.15 2k4j s GLN 99 CO 0.07 0.29 1.03 -1.25 -2.12 0.00 0.00 175.29 173.31 2k4j s PRO 100 N -2.16 3.48 0.00 2.91 0.04 -1.26 -4.97 135.00 133.04 2k4j s PRO 100 Ca 0.49 0.82 0.00 0.00 0.04 0.00 0.00 61.00 62.35 2k4j s PRO 100 Cb -0.17 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.31 2k4j s PRO 100 CO 0.22 -0.66 0.00 0.00 0.04 0.00 0.00 177.00 176.59 2k4j n GLN 101 N -2.72 0.00 0.01 4.56 10.64 -1.26 -4.98 117.38 123.63 2k4j n GLN 101 Ca 0.06 0.00 0.11 0.00 -1.83 0.00 0.00 57.00 55.35 2k4j n GLN 101 Cb 0.54 -0.05 0.10 0.00 -0.86 0.00 0.00 30.24 29.97 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 -1.15 0.08 -3.45 2.61 4.01 -1.26 -4.80 117.16 113.20 2k4j n TYR 102 Ca 0.00 0.02 -0.37 0.00 -0.16 0.00 0.00 57.90 57.39 2k4j n TYR 102 Cb 0.00 -0.24 -0.07 0.00 -0.31 0.00 0.00 39.34 38.72 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 -3.05 5.26 -0.01 -0.72 1.09 -1.26 -4.28 121.20 118.22 2k4j s ILE 103 Ca 0.08 0.70 0.06 0.00 -1.10 0.00 0.00 60.65 60.39 2k4j s ILE 103 Cb 0.16 -3.70 -0.03 0.00 -1.06 0.00 0.00 42.46 37.83 2k4j s ILE 103 CO 0.77 0.36 -0.18 -0.63 -0.10 0.00 0.00 174.94 175.16 2k4j s ILE 104 N 0.55 2.74 0.08 2.92 1.09 0.17 -4.98 121.20 123.76 2k4j s ILE 104 Ca 0.20 -0.96 -0.23 0.00 -1.10 0.00 0.00 60.65 58.55 2k4j s ILE 104 Cb -0.14 -2.07 -0.06 0.00 -1.06 0.00 0.00 42.46 39.13 2k4j s ILE 104 CO 0.06 0.51 0.71 -0.94 -0.10 0.00 0.00 174.94 175.18 2k4j s SER 105 N -0.93 7.20 -0.48 3.58 1.04 -1.26 -0.32 113.70 122.53 2k4j s SER 105 Ca 0.12 1.43 0.07 0.00 0.48 0.00 0.00 55.95 58.05 2k4j s SER 105 Cb -0.10 -2.44 0.25 0.00 0.10 0.00 0.00 66.02 63.82 2k4j s SER 105 CO 0.02 0.13 0.59 0.52 0.98 0.00 0.00 173.24 175.48 2k4j n VAL 106 N 2.26 0.36 -1.64 5.02 0.31 -0.06 -4.90 118.33 119.69 2k4j n VAL 106 Ca -0.05 -4.42 -0.52 0.00 -0.01 0.00 0.00 64.34 59.34 2k4j n VAL 106 Cb 0.50 -2.00 -0.06 0.00 -0.91 0.00 0.00 33.84 31.37 2k4j n VAL 106 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2k4j n ARG 107 N 1.27 1.42 0.00 5.55 0.00 -1.26 -1.45 116.66 122.19 2k4j n ARG 107 Ca 0.24 0.51 0.00 0.00 -0.00 0.00 0.00 57.85 58.61 2k4j n ARG 107 Cb 0.49 -2.20 0.00 0.00 0.00 0.00 0.00 32.46 30.74 2k4j n ARG 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2k4j n GLY 108 N 3.16 2.77 0.10 5.14 0.00 -1.26 -4.78 105.19 110.31 2k4j n GLY 108 Ca 0.20 -0.24 -0.19 0.00 0.00 0.00 0.00 46.02 45.79 2k4j n GLY 108 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2k4j h ILE 109 N 0.00 0.84 0.00 -0.61 5.03 -1.72 -3.48 117.51 117.57 2k4j h ILE 109 Ca 0.00 -2.03 0.00 0.00 -0.12 0.00 0.00 64.86 62.71 2k4j h ILE 109 Cb 0.00 1.99 0.00 0.00 -3.03 0.00 0.00 36.82 35.78 2k4j h ILE 109 CO 0.00 0.29 0.00 0.61 -0.68 0.00 0.00 178.15 178.37 2k4j n GLY 110 N 1.47 -0.72 3.13 5.37 0.00 -0.52 -3.96 105.19 109.96 2k4j n GLY 110 Ca -0.27 -1.21 -0.31 0.00 0.00 0.00 0.00 46.02 44.22 2k4j n GLY 110 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k4j s TYR 111 N -2.98 2.46 0.19 1.61 1.51 -0.65 -0.88 117.35 118.61 2k4j s TYR 111 Ca 0.00 -1.25 -0.29 0.00 -1.01 0.00 0.00 57.07 54.52 2k4j s TYR 111 Cb 0.00 -1.70 -0.08 0.00 -0.11 0.00 0.00 41.96 40.07 2k4j s TYR 111 CO 0.00 -0.59 0.90 0.21 -1.11 0.00 0.00 175.55 174.96 2k4j s LYS 112 N 0.93 4.75 0.17 -0.62 2.20 0.57 -0.47 119.74 127.27 2k4j s LYS 112 Ca -0.05 1.39 -0.02 0.00 -0.36 0.00 0.00 55.97 56.92 2k4j s LYS 112 Cb -0.15 -3.30 -0.04 0.00 -1.51 0.00 0.00 37.83 32.83 2k4j s LYS 112 CO -0.03 0.45 0.13 -1.17 -0.36 0.00 0.00 175.35 174.37 2k4j s LEU 113 N -0.86 1.36 0.05 5.43 2.96 -0.45 -0.65 118.68 126.52 2k4j s LEU 113 Ca 0.41 -1.25 -0.02 0.00 -0.22 0.00 0.00 54.13 53.05 2k4j s LEU 113 Cb -0.25 0.48 -0.03 0.00 0.50 0.00 0.00 46.19 46.89 2k4j s LEU 113 CO 0.30 -0.81 -0.00 -1.83 -1.32 0.00 0.00 176.35 172.68 2k4j s GLU 114 N -4.09 0.60 0.00 1.98 -1.05 -1.26 -1.67 118.70 113.22 2k4j s GLU 114 Ca 0.30 -1.12 0.31 0.00 -0.15 0.00 0.00 54.97 54.32 2k4j s GLU 114 Cb 0.07 0.21 1.79 0.00 -0.44 0.00 0.00 34.13 35.76 2k4j s GLU 114 CO 0.07 -0.12 2.16 0.98 0.95 0.00 0.00 175.26 179.30