#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 4.42 0.58 1.61 1.04 -1.26 -5.07 113.70 115.01 2k4j s SER 12 Ca 0.00 0.69 -0.18 0.00 0.48 0.00 0.00 55.95 56.94 2k4j s SER 12 Cb 0.00 -1.16 -0.04 0.00 0.10 0.00 0.00 66.02 64.92 2k4j s SER 12 CO 0.00 -1.94 1.13 -1.61 0.98 0.00 0.00 173.24 171.79 2k4j s GLU 13 N -5.57 3.18 -0.03 4.02 2.02 -1.26 -5.07 118.70 115.99 2k4j s GLU 13 Ca 0.63 1.56 -0.19 0.00 0.02 0.00 0.00 54.97 56.98 2k4j s GLU 13 Cb -0.10 -1.99 0.04 0.00 0.10 0.00 0.00 34.13 32.18 2k4j s GLU 13 CO 0.49 -0.98 0.41 -2.00 0.02 0.00 0.00 175.26 173.20 2k4j s GLU 14 N -3.52 0.77 0.40 1.61 2.56 -1.26 -5.07 118.70 114.18 2k4j s GLU 14 Ca 0.71 -0.04 0.17 0.00 0.00 0.00 0.00 54.97 55.81 2k4j s GLU 14 Cb -0.23 0.35 0.84 0.00 2.00 0.00 0.00 34.13 37.09 2k4j s GLU 14 CO 0.31 -0.22 1.85 0.28 -0.56 0.00 0.00 175.26 176.92 2k4j h VAL 15 N 3.65 1.05 0.00 3.70 2.07 -2.06 -3.18 116.25 121.49 2k4j h VAL 15 Ca -0.29 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.03 2k4j h VAL 15 Cb 1.17 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 2k4j h VAL 15 CO 0.39 0.32 0.00 -1.20 0.02 0.00 0.00 177.57 177.10 2k4j n SER 16 N -3.88 0.00 -4.65 0.57 7.64 -1.26 -4.90 113.62 107.14 2k4j n SER 16 Ca -0.01 -0.86 -0.46 0.00 1.01 0.00 0.00 58.87 58.55 2k4j n SER 16 Cb 0.40 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.57 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 -0.78 1.81 -1.21 1.43 2.13 -1.20 -4.80 120.64 118.03 2k4j n GLU 17 Ca 0.08 0.65 -0.29 0.00 0.66 0.00 0.00 57.16 58.25 2k4j n GLU 17 Cb 0.04 -2.26 0.15 0.00 0.27 0.00 0.00 31.44 29.63 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 -0.37 0.98 0.28 5.31 0.04 -1.26 -4.93 135.00 135.05 2k4j s PRO 18 Ca 0.70 0.70 0.07 0.00 0.04 0.00 0.00 61.00 62.51 2k4j s PRO 18 Cb -0.70 -1.79 -0.03 0.00 0.04 0.00 0.00 34.50 32.02 2k4j s PRO 18 CO 0.50 -2.40 0.22 0.20 0.04 0.00 0.00 177.00 175.56 2k4j s GLY 19 N -3.45 1.56 0.06 0.56 0.00 -0.41 -5.01 107.32 100.63 2k4j s GLY 19 Ca 0.64 -1.52 0.02 0.00 0.00 0.00 0.00 44.72 43.86 2k4j s GLY 19 CO 0.57 -1.52 -0.07 0.99 0.00 0.00 0.00 173.10 173.08 2k4j s ASP 20 N -3.89 0.87 -0.45 1.64 1.01 -1.26 -0.51 116.67 114.07 2k4j s ASP 20 Ca 0.36 -0.74 0.07 0.00 0.71 0.00 0.00 52.55 52.95 2k4j s ASP 20 Cb -0.07 0.08 0.29 0.00 1.01 0.00 0.00 42.92 44.22 2k4j s ASP 20 CO 0.25 -0.33 0.94 0.00 0.21 0.00 0.00 175.17 176.24 2k4j n ALA 21 N 0.86 -0.40 -0.91 5.23 0.00 0.06 -4.92 120.51 120.43 2k4j n ALA 21 Ca -0.19 -1.84 0.00 0.00 0.00 0.00 0.00 53.44 51.42 2k4j n ALA 21 Cb 0.57 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.86 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 0.89 0.00 0.23 0.00 3.02 -1.26 -1.87 115.26 116.28 2k4j n ASN 22 Ca 0.11 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.80 2k4j n ASN 22 Cb 0.66 0.00 0.40 0.00 -0.61 0.00 0.00 39.78 40.22 2k4j n ASN 22 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 2k4j h ILE 23 N 0.00 0.00 -2.39 2.41 2.04 -1.95 -3.44 117.51 114.17 2k4j h ILE 23 Ca 0.00 -0.75 -0.54 0.00 1.00 0.00 0.00 64.86 64.56 2k4j h ILE 23 Cb 0.00 1.74 -0.14 0.00 -0.74 0.00 0.00 36.82 37.69 2k4j h ILE 23 CO 0.00 0.00 -0.70 0.72 0.00 0.00 0.00 178.15 178.17 2k4j s PHE 24 N -3.39 2.11 0.13 1.37 -0.71 -0.78 -1.65 117.98 115.05 2k4j s PHE 24 Ca 0.05 -0.56 0.02 0.00 -1.04 0.00 0.00 56.93 55.40 2k4j s PHE 24 Cb 0.07 -1.12 -0.04 0.00 -1.21 0.00 0.00 43.02 40.71 2k4j s PHE 24 CO 0.61 0.46 -0.04 1.03 -1.34 0.00 0.00 175.22 175.93 2k4j s ARG 25 N -3.64 0.95 -0.08 1.99 1.81 0.19 -0.76 118.95 119.40 2k4j s ARG 25 Ca 0.29 -1.41 0.01 0.00 -1.72 0.00 0.00 55.73 52.90 2k4j s ARG 25 Cb 0.01 -0.26 0.02 0.00 -0.45 0.00 0.00 34.95 34.27 2k4j s ARG 25 CO 0.13 -0.05 -0.09 0.54 -0.68 0.00 0.00 175.30 175.15 2k4j s VAL 26 N -3.61 1.00 -0.30 3.52 0.11 0.34 -1.05 120.40 120.41 2k4j s VAL 26 Ca 0.17 -0.34 -0.16 0.00 -2.93 0.00 0.00 61.98 58.72 2k4j s VAL 26 Cb 0.05 -0.97 -0.03 0.00 -1.53 0.00 0.00 36.38 33.90 2k4j s VAL 26 CO -0.01 0.34 0.41 -0.62 -3.33 0.00 0.00 175.10 171.89 2k4j s ASP 27 N 1.17 6.27 0.14 3.54 -1.08 -0.13 -1.29 116.67 125.29 2k4j s ASP 27 Ca -0.05 0.16 0.24 0.00 -0.52 0.00 0.00 52.55 52.37 2k4j s ASP 27 Cb -0.14 -2.23 0.21 0.00 -1.46 0.00 0.00 42.92 39.31 2k4j s ASP 27 CO -0.02 -0.28 1.21 0.11 0.52 0.00 0.00 175.17 176.71 2k4j h LYS 28 N 8.26 0.00 0.00 4.34 1.57 -1.89 -1.41 116.57 127.45 2k4j h LYS 28 Ca -0.30 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.48 2k4j h LYS 28 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.46 2k4j h LYS 28 CO 0.68 0.00 -0.00 -0.44 -0.57 0.00 0.00 179.45 179.12 2k4j h ASP 29 N 0.00 -0.00 0.13 0.86 3.32 -1.94 -3.36 116.42 115.42 2k4j h ASP 29 Ca 0.00 -0.88 0.00 0.00 0.02 0.00 0.00 57.03 56.17 2k4j h ASP 29 Cb 0.81 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.36 2k4j h ASP 29 CO 0.00 0.92 -0.44 -1.20 -1.72 0.00 0.00 179.24 176.80 2k4j n SER 30 N -4.64 1.39 -2.97 6.45 7.64 -1.26 -5.01 113.62 115.23 2k4j n SER 30 Ca -0.09 -1.10 -0.13 0.00 1.01 0.00 0.00 58.87 58.56 2k4j n SER 30 Cb 0.43 0.37 0.06 0.00 -1.01 0.00 0.00 64.21 64.06 2k4j n SER 30 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2k4j n ARG 31 N -0.55 -2.95 -4.36 1.43 1.74 -0.87 -5.03 116.66 106.07 2k4j n ARG 31 Ca 0.10 0.72 -0.22 0.00 -0.77 0.00 0.00 57.85 57.68 2k4j n ARG 31 Cb 0.39 -5.15 -0.11 0.00 -1.02 0.00 0.00 32.46 26.57 2k4j n ARG 31 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2k4j s GLU 32 N -4.44 1.35 -0.04 5.56 2.02 -0.58 -4.35 118.70 118.21 2k4j s GLU 32 Ca 0.27 -1.50 0.05 0.00 0.02 0.00 0.00 54.97 53.80 2k4j s GLU 32 Cb -0.03 -1.36 -0.01 0.00 0.10 0.00 0.00 34.13 32.83 2k4j s GLU 32 CO 0.61 0.26 -0.18 0.14 0.02 0.00 0.00 175.26 176.12 2k4j s VAL 33 N -2.29 1.45 -0.27 2.63 -7.23 0.34 -0.96 120.40 114.06 2k4j s VAL 33 Ca 0.19 -0.74 -0.05 0.00 -1.81 0.00 0.00 61.98 59.58 2k4j s VAL 33 Cb -0.05 -1.23 0.01 0.00 0.56 0.00 0.00 36.38 35.67 2k4j s VAL 33 CO 0.08 0.41 0.03 -0.31 -0.31 0.00 0.00 175.10 175.00 2k4j s TYR 34 N -0.06 3.11 0.34 2.82 1.51 -0.21 -0.90 117.35 123.96 2k4j s TYR 34 Ca -0.02 -1.15 -0.10 0.00 -1.01 0.00 0.00 57.07 54.80 2k4j s TYR 34 Cb -0.11 -2.18 -0.07 0.00 -0.11 0.00 0.00 41.96 39.49 2k4j s TYR 34 CO 0.02 -0.62 0.69 1.41 -1.11 0.00 0.00 175.55 175.93 2k4j s MET 35 N 1.45 3.80 0.57 -0.62 1.75 -0.02 -0.64 119.30 125.58 2k4j s MET 35 Ca 0.02 0.39 0.33 0.00 -1.25 0.00 0.00 55.69 55.18 2k4j s MET 35 Cb -0.17 -2.49 1.42 0.00 2.84 0.00 0.00 34.83 36.43 2k4j s MET 35 CO -0.00 0.11 1.74 1.25 -0.65 0.00 0.00 175.02 177.46 2k4j h HIS 36 N 1.75 0.00 0.00 4.11 2.76 -1.69 -1.49 115.15 120.59 2k4j h HIS 36 Ca -0.47 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.70 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 0.60 0.00 -1.13 0.39 -1.30 0.00 0.00 177.93 176.49 2k4j n GLU 37 N -3.83 1.41 -3.56 5.26 1.02 -1.26 -5.08 120.64 114.60 2k4j n GLU 37 Ca 0.20 -0.06 -0.07 0.00 -0.02 0.00 0.00 57.16 57.21 2k4j n GLU 37 Cb 1.13 -1.27 -0.02 0.00 -0.02 0.00 0.00 31.44 31.27 2k4j n GLU 37 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 2k4j s LYS 38 N -2.68 0.79 -0.02 3.49 -2.85 -0.56 -4.96 119.74 112.94 2k4j s LYS 38 Ca 0.01 -0.33 -0.17 0.00 -1.00 0.00 0.00 55.97 54.48 2k4j s LYS 38 Cb 0.10 0.34 -0.05 0.00 -2.06 0.00 0.00 37.83 36.16 2k4j s LYS 38 CO 0.61 -0.35 0.47 0.21 0.10 0.00 0.00 175.35 176.39 2k4j s LYS 39 N -3.02 4.12 -0.05 1.78 2.20 -1.26 -0.84 119.74 122.67 2k4j s LYS 39 Ca 0.07 0.49 0.00 0.00 -0.36 0.00 0.00 55.97 56.18 2k4j s LYS 39 Cb -0.01 -3.30 0.02 0.00 -1.51 0.00 0.00 37.83 33.04 2k4j s LYS 39 CO -0.07 0.50 -0.02 -0.51 -0.36 0.00 0.00 175.35 174.90 2k4j s LEU 40 N -0.51 1.04 -0.25 5.43 1.02 -0.08 -4.82 118.68 120.51 2k4j s LEU 40 Ca 0.26 -0.09 0.21 0.00 0.02 0.00 0.00 54.13 54.52 2k4j s LEU 40 Cb -0.17 -0.39 0.50 0.00 0.02 0.00 0.00 46.19 46.15 2k4j s LEU 40 CO 0.13 -0.11 1.13 0.47 0.02 0.00 0.00 176.35 177.99 2k4j n ASP 41 N 4.44 2.06 0.00 2.29 8.00 -1.26 -0.50 116.55 131.57 2k4j n ASP 41 Ca -0.19 -2.31 0.00 0.00 0.71 0.00 0.00 54.79 53.00 2k4j n ASP 41 Cb 0.50 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 2k4j n ASP 41 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2k4j n LEU 42 N -0.56 0.00 -3.81 0.64 7.99 -1.26 -4.93 117.00 115.07 2k4j n LEU 42 Ca 0.13 0.00 -0.09 0.00 -0.01 0.00 0.00 56.01 56.04 2k4j n LEU 42 Cb 0.84 0.00 -0.04 0.00 -0.11 0.00 0.00 43.42 44.12 2k4j n LEU 42 CO 0.11 0.00 0.27 -0.89 -1.51 0.00 0.00 177.39 175.38 2k4j s THR 43 N 0.00 0.02 0.29 -5.08 2.01 -1.26 -4.85 115.64 106.77 2k4j s THR 43 Ca 0.00 -0.95 0.03 0.00 0.31 0.00 0.00 61.69 61.07 2k4j s THR 43 Cb 0.00 -1.77 0.33 0.00 0.01 0.00 0.00 72.50 71.07 2k4j s THR 43 CO 0.00 -0.08 1.63 0.03 -0.69 0.00 0.00 174.62 175.50 2k4j h ARG 44 N 2.19 0.15 -0.22 4.92 -0.00 -1.98 0.76 114.38 120.19 2k4j h ARG 44 Ca -0.27 -0.01 0.01 0.00 -0.50 0.00 0.00 59.98 59.21 2k4j h ARG 44 Cb 1.26 -0.03 -0.01 0.00 0.00 0.00 0.00 29.97 31.18 2k4j h ARG 44 CO 0.35 0.10 0.12 0.00 0.00 0.00 0.00 179.97 180.54 2k4j h ALA 45 N 1.83 0.27 -0.01 0.04 0.00 -1.98 0.14 119.26 119.55 2k4j h ALA 45 Ca 0.57 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 55.27 2k4j h ALA 45 Cb 1.18 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2k4j h ALA 45 CO -0.71 -0.28 -0.88 0.93 0.00 0.00 0.00 179.25 178.31 2k4j h GLU 46 N 0.26 0.29 -0.38 0.00 3.07 -1.36 -1.00 114.58 115.46 2k4j h GLU 46 Ca 0.09 -0.30 0.08 0.00 -0.50 0.00 0.00 59.36 58.72 2k4j h GLU 46 Cb -0.00 0.08 -0.09 0.00 -0.84 0.00 0.00 28.75 27.91 2k4j h GLU 46 CO -0.04 1.00 -0.24 -0.92 -1.40 0.00 0.00 179.01 177.41 2k4j h TYR 47 N 0.17 -0.62 -0.58 4.33 3.20 -0.94 -0.67 116.97 121.86 2k4j h TYR 47 Ca -0.05 0.05 0.08 0.00 3.14 0.00 0.00 58.73 61.94 2k4j h TYR 47 Cb 1.50 0.33 -0.07 0.00 1.54 0.00 0.00 36.73 40.04 2k4j h TYR 47 CO 0.04 -0.31 0.23 0.93 -1.64 0.00 0.00 178.16 177.40 2k4j h GLU 48 N -0.18 0.41 -0.29 1.82 3.07 -0.18 -0.52 114.58 118.71 2k4j h GLU 48 Ca 0.19 -0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 58.96 2k4j h GLU 48 Cb 0.47 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.28 2k4j h GLU 48 CO -0.49 0.27 -0.04 -0.84 -1.40 0.00 0.00 179.01 176.52 2k4j h ILE 49 N 0.42 1.27 -0.08 3.13 3.07 -0.76 -1.74 117.51 122.82 2k4j h ILE 49 Ca 0.28 -1.03 -0.13 0.00 1.55 0.00 0.00 64.86 65.54 2k4j h ILE 49 Cb 0.32 1.35 0.01 0.00 -0.27 0.00 0.00 36.82 38.22 2k4j h ILE 49 CO -0.27 0.33 -0.47 -0.07 -1.05 0.00 0.00 178.15 176.62 2k4j h LEU 50 N 0.32 0.55 -0.42 0.16 3.38 -1.01 0.13 115.31 118.41 2k4j h LEU 50 Ca 0.08 -0.66 0.05 0.00 0.09 0.00 0.00 57.88 57.44 2k4j h LEU 50 Cb 0.50 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 2k4j h LEU 50 CO 0.02 1.12 0.16 0.77 0.09 0.00 0.00 178.44 180.60 2k4j h SER 51 N 0.02 0.17 -0.43 -0.43 4.64 -1.15 0.18 113.55 116.54 2k4j h SER 51 Ca -0.04 0.04 -0.11 0.00 -0.47 0.00 0.00 61.79 61.22 2k4j h SER 51 Cb 1.12 0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 63.22 2k4j h SER 51 CO 0.10 0.14 -0.14 0.25 -0.87 0.00 0.00 176.83 176.30 2k4j h LEU 52 N 0.33 0.92 0.27 5.97 5.85 -1.29 -1.21 115.31 126.14 2k4j h LEU 52 Ca 0.19 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 2k4j h LEU 52 Cb 0.17 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.96 2k4j h LEU 52 CO -0.19 1.05 -0.13 0.25 -0.34 0.00 0.00 178.44 179.08 2k4j h LEU 53 N 0.81 -0.30 -1.50 2.25 5.85 -0.62 -1.11 115.31 120.68 2k4j h LEU 53 Ca 0.12 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.64 2k4j h LEU 53 Cb 0.68 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 2k4j h LEU 53 CO 0.05 0.10 0.35 0.40 -0.34 0.00 0.00 178.44 179.00 2k4j h ILE 54 N -0.77 1.12 -0.17 4.05 2.04 -0.70 0.97 117.51 124.05 2k4j h ILE 54 Ca -0.04 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 2k4j h ILE 54 Cb 0.50 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 2k4j h ILE 54 CO 0.06 0.13 0.03 -1.28 0.00 0.00 0.00 178.15 177.08 2k4j h SER 55 N 0.69 0.27 0.53 1.72 0.87 -1.19 -3.27 113.55 113.17 2k4j h SER 55 Ca 0.20 -0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 2k4j h SER 55 Cb -0.04 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 61.85 2k4j h SER 55 CO -0.05 0.47 -0.16 2.29 -0.53 0.00 0.00 176.83 178.85 2k4j n LYS 56 N -4.77 0.41 0.00 2.24 2.85 -0.43 -5.04 118.16 113.42 2k4j n LYS 56 Ca -0.05 -0.14 0.00 0.00 -1.05 0.00 0.00 58.31 57.07 2k4j n LYS 56 Cb 0.19 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.07 2k4j n LYS 56 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2k4j n LYS 57 N -1.17 0.00 -0.02 -1.58 5.02 0.30 -4.96 118.16 115.74 2k4j n LYS 57 Ca 0.11 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.26 2k4j n LYS 57 Cb 0.30 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.22 2k4j n LYS 57 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 2k4j h GLY 58 N 0.00 -1.13 0.00 0.72 0.00 -1.77 -3.43 103.07 97.46 2k4j h GLY 58 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 47.33 48.02 2k4j h GLY 58 CO 0.00 -0.22 0.00 2.98 0.00 0.00 0.00 176.54 179.30 2k4j n TYR 59 N -5.17 -0.16 -4.08 5.60 9.36 -0.97 -4.14 117.16 117.60 2k4j n TYR 59 Ca -0.05 0.00 -0.33 0.00 3.32 0.00 0.00 57.90 60.83 2k4j n TYR 59 Cb 0.34 0.10 -0.16 0.00 -0.63 0.00 0.00 39.34 39.00 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 2.25 -0.29 2.97 1.01 -1.26 -1.16 120.40 123.92 2k4j s VAL 60 Ca 0.00 -0.94 -0.28 0.00 0.00 0.00 0.00 61.98 60.76 2k4j s VAL 60 Cb 0.00 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 2k4j s VAL 60 CO 0.00 0.47 2.14 -0.36 0.00 0.00 0.00 175.10 177.35 2k4j s PHE 61 N 1.30 1.31 -0.03 5.22 0.08 0.06 -4.83 117.98 121.08 2k4j s PHE 61 Ca 0.04 0.70 0.05 0.00 0.12 0.00 0.00 56.93 57.85 2k4j s PHE 61 Cb -0.14 -3.93 -0.01 0.00 -0.57 0.00 0.00 43.02 38.37 2k4j s PHE 61 CO -0.11 -3.57 -0.20 -1.12 -0.10 0.00 0.00 175.22 170.12 2k4j s SER 62 N 8.32 2.42 0.38 1.36 0.01 -1.26 -1.42 113.70 123.50 2k4j s SER 62 Ca 0.94 -0.39 0.13 0.00 1.31 0.00 0.00 55.95 57.95 2k4j s SER 62 Cb -0.28 -0.51 0.95 0.00 0.21 0.00 0.00 66.02 66.39 2k4j s SER 62 CO 0.33 0.21 1.85 0.08 0.41 0.00 0.00 173.24 176.11 2k4j h ARG 63 N 5.97 0.53 -0.13 12.44 0.11 -1.86 0.23 114.38 131.68 2k4j h ARG 63 Ca -0.35 -0.03 -0.04 0.00 0.10 0.00 0.00 59.98 59.66 2k4j h ARG 63 Cb 1.16 -0.12 -0.00 0.00 1.11 0.00 0.00 29.97 32.12 2k4j h ARG 63 CO 0.48 0.35 -0.07 1.49 0.10 0.00 0.00 179.97 182.32 2k4j h GLU 64 N 0.55 0.27 -0.96 0.08 4.81 -1.82 -1.61 114.58 115.91 2k4j h GLU 64 Ca 0.48 -0.12 0.06 0.00 -0.13 0.00 0.00 59.36 59.65 2k4j h GLU 64 Cb 1.00 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.31 2k4j h GLU 64 CO -0.22 0.62 0.62 1.03 -0.73 0.00 0.00 179.01 180.33 2k4j h SER 65 N -0.07 0.99 -0.37 1.04 0.87 -1.34 -0.57 113.55 114.10 2k4j h SER 65 Ca 0.03 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.60 2k4j h SER 65 Cb 0.54 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.27 2k4j h SER 65 CO 0.02 0.64 0.24 0.40 -0.53 0.00 0.00 176.83 177.60 2k4j h ILE 66 N 1.13 1.08 0.00 2.23 1.08 -0.52 0.37 117.51 122.87 2k4j h ILE 66 Ca 0.41 -0.17 -0.00 0.00 -0.39 0.00 0.00 64.86 64.71 2k4j h ILE 66 Cb 0.15 0.55 -0.00 0.00 -3.07 0.00 0.00 36.82 34.45 2k4j h ILE 66 CO -0.15 0.09 -0.01 0.00 -0.69 0.00 0.00 178.15 177.39 2k4j h ALA 67 N 1.14 1.04 0.13 1.87 0.00 -0.73 0.31 119.26 123.03 2k4j h ALA 67 Ca 0.14 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.72 2k4j h ALA 67 Cb -0.04 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2k4j h ALA 67 CO -0.04 0.01 -1.58 0.82 0.00 0.00 0.00 179.25 178.46 2k4j h ILE 68 N 0.00 1.10 -0.07 0.00 2.04 -0.01 -3.32 117.51 117.25 2k4j h ILE 68 Ca -0.00 -2.73 -0.13 0.00 1.00 0.00 0.00 64.86 63.00 2k4j h ILE 68 Cb 0.19 2.75 0.01 0.00 -0.74 0.00 0.00 36.82 39.03 2k4j h ILE 68 CO 0.00 0.82 -0.46 -0.33 0.00 0.00 0.00 178.15 178.18 2k4j h GLU 69 N 0.08 0.44 0.00 2.37 3.07 0.51 -3.43 114.58 117.61 2k4j h GLU 69 Ca -0.27 -0.38 -0.05 0.00 -0.50 0.00 0.00 59.36 58.17 2k4j h GLU 69 Cb 2.03 0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 30.02 2k4j h GLU 69 CO 0.16 1.02 -0.85 -1.13 -1.40 0.00 0.00 179.01 176.81 2k4j n SER 70 N -4.29 0.64 -1.90 1.42 3.41 0.02 -4.52 113.62 108.39 2k4j n SER 70 Ca -0.09 0.09 -0.14 0.00 -0.26 0.00 0.00 58.87 58.48 2k4j n SER 70 Cb 0.58 -0.22 0.02 0.00 -0.26 0.00 0.00 64.21 64.33 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 -3.35 -2.63 0.00 4.33 2.13 -1.24 -4.93 120.64 114.95 2k4j n GLU 71 Ca -0.06 0.61 0.09 0.00 0.66 0.00 0.00 57.16 58.45 2k4j n GLU 71 Cb 0.39 -4.81 0.52 0.00 0.27 0.00 0.00 31.44 27.80 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 -0.89 0.00 -4.16 4.31 3.41 -1.26 -4.90 113.62 110.13 2k4j n SER 72 Ca -0.10 -1.28 -0.25 0.00 -0.26 0.00 0.00 58.87 56.98 2k4j n SER 72 Cb 0.59 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.39 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 -2.00 1.37 -0.02 -1.33 -1.09 -1.26 -5.10 121.20 111.77 2k4j s ILE 73 Ca 0.26 -0.74 -0.22 0.00 -2.23 0.00 0.00 60.65 57.72 2k4j s ILE 73 Cb 0.12 -1.14 -0.15 0.00 -1.58 0.00 0.00 42.46 39.71 2k4j s ILE 73 CO 0.20 0.39 0.98 0.78 -1.23 0.00 0.00 174.94 176.06 2k4j h ASN 74 N 5.74 -0.32 -3.87 3.58 4.21 -2.00 -3.45 115.58 119.48 2k4j h ASN 74 Ca -0.36 -0.22 -0.52 0.00 1.21 0.00 0.00 56.30 56.41 2k4j h ASN 74 Cb 1.15 0.08 0.05 0.00 -1.12 0.00 0.00 38.32 38.48 2k4j h ASN 74 CO 0.48 0.14 0.58 -2.16 -1.29 0.00 0.00 177.43 175.19 2k4j s PRO 75 N -3.92 4.38 0.36 0.81 0.04 -1.26 -4.95 135.00 130.46 2k4j s PRO 75 Ca -0.13 2.06 0.27 0.00 0.04 0.00 0.00 61.00 63.25 2k4j s PRO 75 Cb 0.01 -3.04 1.13 0.00 0.04 0.00 0.00 34.50 32.64 2k4j s PRO 75 CO 0.46 -0.11 1.81 1.05 0.04 0.00 0.00 177.00 180.25 2k4j h GLU 76 N 3.38 0.00 0.00 4.56 4.11 -2.00 -1.43 114.58 123.20 2k4j h GLU 76 Ca -0.48 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 58.76 2k4j h GLU 76 Cb 1.22 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.45 2k4j h GLU 76 CO 0.65 0.00 -0.88 0.66 0.07 0.00 0.00 179.01 179.51 2k4j h SER 77 N 0.00 0.00 -1.07 3.06 4.64 -1.92 -3.42 113.55 114.84 2k4j h SER 77 Ca 0.00 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.06 2k4j h SER 77 Cb 0.41 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.39 2k4j h SER 77 CO 0.00 0.88 -0.23 -1.54 -0.87 0.00 0.00 176.83 175.07 2k4j n SER 78 N -3.35 -4.01 -0.20 4.97 3.41 -0.54 -4.26 113.62 109.64 2k4j n SER 78 Ca 0.00 0.31 0.16 0.00 -0.26 0.00 0.00 58.87 59.08 2k4j n SER 78 Cb 0.88 -3.47 0.49 0.00 -0.26 0.00 0.00 64.21 61.85 2k4j n SER 78 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2k4j h ASN 79 N 0.00 0.43 1.30 4.04 7.08 -1.91 0.12 115.58 126.64 2k4j h ASN 79 Ca -0.26 0.03 -0.09 0.00 -3.08 0.00 0.00 56.30 52.90 2k4j h ASN 79 Cb 0.93 -0.06 -0.01 0.00 -2.08 0.00 0.00 38.32 37.11 2k4j h ASN 79 CO 0.37 0.21 -0.42 0.50 -2.08 0.00 0.00 177.43 176.01 2k4j h LYS 80 N 0.45 0.00 0.19 4.14 1.63 -1.99 -1.39 116.57 119.61 2k4j h LYS 80 Ca 0.40 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 60.19 2k4j h LYS 80 Cb 0.90 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.53 2k4j h LYS 80 CO -0.14 0.42 -0.09 1.03 -3.45 0.00 0.00 179.45 177.22 2k4j h SER 81 N 0.00 -0.22 -0.92 4.20 0.87 -1.17 -1.75 113.55 114.56 2k4j h SER 81 Ca -0.00 -0.03 0.05 0.00 -1.23 0.00 0.00 61.79 60.58 2k4j h SER 81 Cb 1.19 0.06 -0.06 0.00 -0.44 0.00 0.00 62.40 63.14 2k4j h SER 81 CO 0.05 -0.11 0.58 0.40 -0.53 0.00 0.00 176.83 177.22 2k4j h ILE 82 N -0.31 1.09 -0.37 2.23 5.03 -1.17 0.29 117.51 124.30 2k4j h ILE 82 Ca -0.03 -0.37 0.05 0.00 -0.12 0.00 0.00 64.86 64.39 2k4j h ILE 82 Cb 0.24 -0.09 -0.05 0.00 -3.03 0.00 0.00 36.82 33.89 2k4j h ILE 82 CO 0.04 0.20 0.09 -0.78 -0.68 0.00 0.00 178.15 177.02 2k4j h ASP 83 N 1.09 0.04 -0.23 1.72 3.58 -1.25 0.69 116.42 122.07 2k4j h ASP 83 Ca 0.39 0.06 -0.08 0.00 0.42 0.00 0.00 57.03 57.81 2k4j h ASP 83 Cb 0.11 0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.21 2k4j h ASP 83 CO -0.15 0.06 -0.11 1.62 -2.88 0.00 0.00 179.24 177.78 2k4j h VAL 84 N 0.22 1.24 -0.05 2.25 3.04 -0.15 -1.45 116.25 121.36 2k4j h VAL 84 Ca 0.17 -1.08 -0.12 0.00 -1.01 0.00 0.00 66.70 64.67 2k4j h VAL 84 Cb 0.19 1.09 0.01 0.00 -2.01 0.00 0.00 31.29 30.57 2k4j h VAL 84 CO -0.21 0.36 -0.42 0.40 -1.01 0.00 0.00 177.57 176.69 2k4j h ILE 85 N 0.57 1.43 0.14 3.17 1.08 -0.08 0.52 117.51 124.34 2k4j h ILE 85 Ca 0.10 -1.87 -0.01 0.00 -0.39 0.00 0.00 64.86 62.70 2k4j h ILE 85 Cb 0.53 2.43 0.00 0.00 -3.07 0.00 0.00 36.82 36.71 2k4j h ILE 85 CO 0.03 0.54 -0.07 0.40 -0.69 0.00 0.00 178.15 178.36 2k4j h ILE 86 N -0.14 0.86 -0.51 -0.67 2.04 -0.93 0.10 117.51 118.26 2k4j h ILE 86 Ca -0.04 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 2k4j h ILE 86 Cb 1.10 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 2k4j h ILE 86 CO 0.09 0.00 0.29 1.23 0.00 0.00 0.00 178.15 179.75 2k4j h GLY 87 N -0.20 0.76 1.99 5.37 0.00 -1.28 -0.31 103.07 109.40 2k4j h GLY 87 Ca -0.02 -0.34 -0.20 0.00 0.00 0.00 0.00 47.33 46.77 2k4j h GLY 87 CO 0.03 0.33 -0.97 -0.09 0.00 0.00 0.00 176.54 175.84 2k4j h ARG 88 N 0.69 0.00 -0.50 4.80 9.65 -0.88 -0.83 114.38 127.31 2k4j h ARG 88 Ca 0.18 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 59.02 2k4j h ARG 88 Cb 0.04 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.60 2k4j h ARG 88 CO -0.03 0.95 0.15 -0.07 2.80 0.00 0.00 179.97 183.78 2k4j h LEU 89 N 0.00 0.73 -0.90 3.80 3.38 -0.70 0.83 115.31 122.46 2k4j h LEU 89 Ca -0.01 -0.21 0.14 0.00 0.09 0.00 0.00 57.88 57.88 2k4j h LEU 89 Cb 1.74 -0.19 -0.09 0.00 0.09 0.00 0.00 40.66 42.21 2k4j h LEU 89 CO 0.12 0.74 0.51 0.03 0.09 0.00 0.00 178.44 179.94 2k4j h ARG 90 N 0.68 0.74 -0.23 1.13 -0.00 -0.95 -0.26 114.38 115.49 2k4j h ARG 90 Ca 0.16 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.98 59.58 2k4j h ARG 90 Cb 0.28 -0.17 -0.01 0.00 0.00 0.00 0.00 29.97 30.07 2k4j h ARG 90 CO -0.00 0.49 0.08 0.77 0.00 0.00 0.00 179.97 181.30 2k4j h SER 91 N 0.76 0.33 -0.83 7.04 0.02 -0.51 0.55 113.55 120.90 2k4j h SER 91 Ca 0.47 -0.20 0.01 0.00 -0.84 0.00 0.00 61.79 61.24 2k4j h SER 91 Cb 0.59 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 63.00 2k4j h SER 91 CO -0.32 0.44 0.55 0.11 -1.14 0.00 0.00 176.83 176.47 2k4j h LYS 92 N 0.20 1.08 0.00 3.45 1.79 -0.31 -1.74 116.57 121.04 2k4j h LYS 92 Ca 0.07 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2k4j h LYS 92 Cb 0.22 -0.24 0.00 0.00 -1.58 0.00 0.00 32.23 30.63 2k4j h LYS 92 CO -0.00 0.71 -0.07 0.44 -1.08 0.00 0.00 179.45 179.45 2k4j n ILE 93 N -4.52 0.24 -0.04 1.86 -6.64 -0.16 -0.61 119.36 109.50 2k4j n ILE 93 Ca 0.09 -0.12 -0.13 0.00 -1.77 0.00 0.00 62.75 60.81 2k4j n ILE 93 Cb 0.03 -0.47 -0.08 0.00 -1.44 0.00 0.00 39.64 37.69 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 0.27 0.00 6.28 4.81 -0.49 -3.38 114.58 122.07 2k4j h GLU 94 Ca 0.00 -0.15 -0.10 0.00 -0.13 0.00 0.00 59.36 58.97 2k4j h GLU 94 Cb 0.60 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 2k4j h GLU 94 CO 0.00 0.71 -1.24 0.87 -0.73 0.00 0.00 179.01 178.63 2k4j h LYS 95 N -0.16 0.00 -7.33 1.92 1.57 -1.22 -3.46 116.57 107.89 2k4j h LYS 95 Ca 0.01 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.29 2k4j h LYS 95 Cb 0.68 0.00 0.12 0.00 0.08 0.00 0.00 32.23 33.12 2k4j h LYS 95 CO 0.03 0.18 0.32 -0.80 -0.57 0.00 0.00 179.45 178.61 2k4j s ASN 96 N -5.63 4.50 0.42 0.86 0.01 0.22 -4.99 114.94 110.33 2k4j s ASN 96 Ca -0.02 1.66 0.22 0.00 -0.71 0.00 0.00 52.86 54.00 2k4j s ASN 96 Cb 0.09 -2.39 0.91 0.00 0.41 0.00 0.00 41.25 40.26 2k4j s ASN 96 CO 0.80 -2.02 1.83 1.55 -1.51 0.00 0.00 177.10 177.76 2k4j h PRO 97 N -1.12 0.00 -7.01 -0.60 0.13 -1.89 -3.46 132.00 118.06 2k4j h PRO 97 Ca -0.45 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.20 2k4j h PRO 97 Cb 1.24 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.39 2k4j h PRO 97 CO 0.54 0.28 0.40 0.15 -0.23 0.00 0.00 178.00 179.14 2k4j s LYS 98 N -3.77 4.02 0.19 0.86 -0.14 -1.26 -5.10 119.74 114.54 2k4j s LYS 98 Ca -0.01 1.46 0.05 0.00 -1.36 0.00 0.00 55.97 56.12 2k4j s LYS 98 Cb 0.11 -2.37 -0.05 0.00 -1.68 0.00 0.00 37.83 33.85 2k4j s LYS 98 CO 0.65 -0.26 -0.09 -0.65 -0.76 0.00 0.00 175.35 174.24 2k4j s GLN 99 N -2.79 1.24 0.67 1.68 -0.21 -1.26 -4.65 119.66 114.34 2k4j s GLN 99 Ca 0.62 -1.56 -0.14 0.00 0.02 0.00 0.00 55.36 54.29 2k4j s GLN 99 Cb -0.20 -0.82 0.00 0.00 1.00 0.00 0.00 33.01 32.99 2k4j s GLN 99 CO 0.25 0.07 1.10 -1.25 -2.12 0.00 0.00 175.29 173.34 2k4j s PRO 100 N -3.73 2.77 0.00 2.91 0.04 -1.26 -4.94 135.00 130.79 2k4j s PRO 100 Ca 0.22 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.60 2k4j s PRO 100 Cb 0.02 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.61 2k4j s PRO 100 CO 0.05 -1.27 0.00 0.00 0.04 0.00 0.00 177.00 175.82 2k4j n GLN 101 N -2.54 0.00 -0.07 4.56 10.64 -1.26 -4.98 117.38 123.73 2k4j n GLN 101 Ca 0.10 0.00 0.05 0.00 -1.83 0.00 0.00 57.00 55.32 2k4j n GLN 101 Cb 0.52 0.00 0.09 0.00 -0.86 0.00 0.00 30.24 29.99 2k4j n GLN 101 CO 0.00 0.00 0.00 0.98 -1.83 0.00 0.00 177.06 176.21 2k4j n TYR 102 N -1.20 0.19 -4.50 2.61 9.36 -1.26 -4.93 117.16 117.43 2k4j n TYR 102 Ca 0.00 -0.23 -0.34 0.00 3.32 0.00 0.00 57.90 60.66 2k4j n TYR 102 Cb 0.00 -0.01 -0.12 0.00 -0.63 0.00 0.00 39.34 38.57 2k4j n TYR 102 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 2k4j s ILE 103 N -0.91 3.70 -0.02 2.97 2.07 -1.26 -4.06 121.20 123.69 2k4j s ILE 103 Ca 0.16 -0.43 0.06 0.00 -1.41 0.00 0.00 60.65 59.03 2k4j s ILE 103 Cb 0.09 -2.60 -0.03 0.00 0.13 0.00 0.00 42.46 40.06 2k4j s ILE 103 CO 0.13 0.51 -0.19 -0.63 -1.91 0.00 0.00 174.94 172.86 2k4j s ILE 104 N 0.25 2.70 -0.00 2.00 -1.09 0.31 -4.95 121.20 120.42 2k4j s ILE 104 Ca -0.04 -0.95 -0.30 0.00 -2.23 0.00 0.00 60.65 57.12 2k4j s ILE 104 Cb -0.14 -2.05 -0.04 0.00 -1.58 0.00 0.00 42.46 38.65 2k4j s ILE 104 CO 0.03 0.52 1.12 -0.44 -1.23 0.00 0.00 174.94 174.95 2k4j s SER 105 N -0.88 7.17 -0.45 3.58 0.01 -1.26 -0.52 113.70 121.34 2k4j s SER 105 Ca 0.12 1.81 0.03 0.00 1.31 0.00 0.00 55.95 59.22 2k4j s SER 105 Cb -0.10 -2.57 0.12 0.00 0.21 0.00 0.00 66.02 63.68 2k4j s SER 105 CO 0.01 -0.44 0.19 -0.69 0.41 0.00 0.00 173.24 172.73 2k4j s VAL 106 N 1.46 2.64 0.00 3.43 1.01 0.47 -4.81 120.40 124.58 2k4j s VAL 106 Ca 0.55 -2.83 0.00 0.00 0.00 0.00 0.00 61.98 59.70 2k4j s VAL 106 Cb -0.25 -2.85 0.00 0.00 0.00 0.00 0.00 36.38 33.28 2k4j s VAL 106 CO 0.26 -0.72 0.00 -1.14 0.00 0.00 0.00 175.10 173.49 2k4j n ARG 107 N 3.68 -0.08 -1.00 2.72 3.00 -1.26 -1.47 116.66 122.25 2k4j n ARG 107 Ca 0.04 0.02 0.00 0.00 -0.00 0.00 0.00 57.85 57.91 2k4j n ARG 107 Cb 0.37 -3.79 0.00 0.00 0.00 0.00 0.00 32.46 29.04 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 -1.90 0.79 0.21 5.14 0.00 -1.26 -4.89 105.19 103.27 2k4j n GLY 108 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.40 0.73 -4.09 -0.61 5.41 -0.86 -5.00 119.36 112.54 2k4j n ILE 109 Ca 0.00 -0.25 -0.29 0.00 1.00 0.00 0.00 62.75 63.21 2k4j n ILE 109 Cb 0.00 -1.15 -0.07 0.00 -0.71 0.00 0.00 39.64 37.71 2k4j n ILE 109 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 2k4j s GLY 110 N -5.23 1.91 -0.12 7.39 0.00 -0.54 -3.89 107.32 106.83 2k4j s GLY 110 Ca -0.18 -1.11 0.01 0.00 0.00 0.00 0.00 44.72 43.44 2k4j s GLY 110 CO 0.28 -1.10 -0.12 -0.19 0.00 0.00 0.00 173.10 171.97 2k4j s TYR 111 N -1.47 1.82 -0.19 1.90 1.51 -0.50 -0.40 117.35 120.01 2k4j s TYR 111 Ca 0.28 -0.92 -0.19 0.00 -1.01 0.00 0.00 57.07 55.24 2k4j s TYR 111 Cb -0.11 -1.38 -0.03 0.00 -0.11 0.00 0.00 41.96 40.32 2k4j s TYR 111 CO 0.21 -0.54 0.52 0.21 -1.11 0.00 0.00 175.55 174.85 2k4j s LYS 112 N 1.38 4.20 0.37 -0.62 2.36 0.32 -0.76 119.74 126.99 2k4j s LYS 112 Ca 0.01 0.43 0.08 0.00 -2.55 0.00 0.00 55.97 53.94 2k4j s LYS 112 Cb -0.13 -3.55 -0.07 0.00 -1.05 0.00 0.00 37.83 33.02 2k4j s LYS 112 CO -0.06 -0.14 -0.02 -1.17 1.55 0.00 0.00 175.35 175.51 2k4j s LEU 113 N 1.59 2.85 0.01 5.43 2.96 -0.31 -0.53 118.68 130.68 2k4j s LEU 113 Ca 0.25 -1.22 -0.12 0.00 -0.22 0.00 0.00 54.13 52.81 2k4j s LEU 113 Cb -0.15 -1.05 0.01 0.00 0.50 0.00 0.00 46.19 45.50 2k4j s LEU 113 CO 0.10 -0.33 0.25 -0.70 -1.32 0.00 0.00 176.35 174.35 2k4j s GLU 114 N -3.69 0.64 0.00 1.98 2.12 -1.26 -2.29 118.70 116.21 2k4j s GLU 114 Ca 0.34 -0.36 0.17 0.00 0.36 0.00 0.00 54.97 55.48 2k4j s GLU 114 Cb 0.05 0.28 1.01 0.00 0.26 0.00 0.00 34.13 35.73 2k4j s GLU 114 CO 0.18 -0.18 1.42 0.98 -0.54 0.00 0.00 175.26 177.12