#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4j n SER 12 N 0.00 0.73 -3.60 1.61 3.41 -1.26 -4.91 113.62 109.61 2k4j n SER 12 Ca 0.00 0.35 -0.16 0.00 -0.26 0.00 0.00 58.87 58.80 2k4j n SER 12 Cb 0.00 -0.33 -0.07 0.00 -0.26 0.00 0.00 64.21 63.55 2k4j n SER 12 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2k4j s GLU 13 N -3.12 0.90 -0.01 4.33 2.12 -1.26 -5.18 118.70 116.48 2k4j s GLU 13 Ca 0.09 0.45 0.06 0.00 0.36 0.00 0.00 54.97 55.93 2k4j s GLU 13 Cb 0.13 0.43 -0.02 0.00 0.26 0.00 0.00 34.13 34.93 2k4j s GLU 13 CO 0.65 -0.22 -0.19 -1.21 -0.54 0.00 0.00 175.26 173.75 2k4j s GLU 14 N -0.62 1.49 0.02 4.30 2.02 -1.26 -5.05 118.70 119.60 2k4j s GLU 14 Ca -0.07 -0.69 -0.11 0.00 0.02 0.00 0.00 54.97 54.12 2k4j s GLU 14 Cb -0.02 -1.46 -0.33 0.00 0.10 0.00 0.00 34.13 32.42 2k4j s GLU 14 CO 0.06 0.40 0.94 0.28 0.02 0.00 0.00 175.26 176.96 2k4j h VAL 15 N 4.65 1.23 -3.08 2.63 2.07 -1.96 -3.48 116.25 118.31 2k4j h VAL 15 Ca -0.38 -2.74 -0.10 0.00 0.82 0.00 0.00 66.70 64.30 2k4j h VAL 15 Cb 1.15 2.94 -0.19 0.00 -1.52 0.00 0.00 31.29 33.67 2k4j h VAL 15 CO 0.48 0.84 -0.24 -0.44 0.02 0.00 0.00 177.57 178.22 2k4j s SER 16 N -7.39 -0.19 -0.06 0.57 0.01 -1.26 -5.06 113.70 100.32 2k4j s SER 16 Ca -0.10 0.01 -0.30 0.00 1.31 0.00 0.00 55.95 56.88 2k4j s SER 16 Cb 0.05 0.34 -0.02 0.00 0.21 0.00 0.00 66.02 66.60 2k4j s SER 16 CO 0.91 -0.52 0.99 -0.70 0.41 0.00 0.00 173.24 174.33 2k4j s GLU 17 N -1.79 4.49 0.84 12.44 2.12 -1.26 -3.97 118.70 131.56 2k4j s GLU 17 Ca -0.10 1.40 -0.12 0.00 0.36 0.00 0.00 54.97 56.51 2k4j s GLU 17 Cb -0.03 -3.50 0.09 0.00 0.26 0.00 0.00 34.13 30.95 2k4j s GLU 17 CO 0.02 -0.19 1.13 -1.25 -0.54 0.00 0.00 175.26 174.43 2k4j s PRO 18 N 1.53 1.75 0.32 4.30 0.04 -1.26 -4.66 135.00 137.03 2k4j s PRO 18 Ca 0.50 0.34 -0.08 0.00 0.04 0.00 0.00 61.00 61.80 2k4j s PRO 18 Cb -0.20 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.45 2k4j s PRO 18 CO 0.23 -1.79 0.53 0.20 0.04 0.00 0.00 177.00 176.21 2k4j s GLY 19 N -4.18 1.04 0.26 0.56 0.00 -0.58 -4.94 107.32 99.48 2k4j s GLY 19 Ca 0.62 -1.21 0.08 0.00 0.00 0.00 0.00 44.72 44.20 2k4j s GLY 19 CO 0.52 -0.78 0.16 0.99 0.00 0.00 0.00 173.10 174.00 2k4j s ASP 20 N -3.15 5.29 -0.48 1.64 1.11 -1.26 -0.35 116.67 119.48 2k4j s ASP 20 Ca 0.26 -0.36 0.06 0.00 0.18 0.00 0.00 52.55 52.69 2k4j s ASP 20 Cb -0.01 -1.25 0.24 0.00 1.07 0.00 0.00 42.92 42.96 2k4j s ASP 20 CO 0.16 -0.06 0.84 0.00 1.18 0.00 0.00 175.17 177.29 2k4j n ALA 21 N -1.14 -1.12 0.00 5.23 0.00 0.12 -4.80 120.51 118.80 2k4j n ALA 21 Ca -0.07 -1.54 0.00 0.00 0.00 0.00 0.00 53.44 51.83 2k4j n ALA 21 Cb 0.58 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 1.74 0.00 -0.00 0.00 3.02 -1.26 -1.77 115.26 116.99 2k4j n ASN 22 Ca 0.11 0.00 0.03 0.00 -0.03 0.00 0.00 54.58 54.68 2k4j n ASN 22 Cb 0.62 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.75 2k4j n ASN 22 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 2k4j n ILE 23 N 0.00 0.00 -4.35 2.41 -0.00 -1.26 -5.04 119.36 111.12 2k4j n ILE 23 Ca 0.00 -0.35 -0.18 0.00 -0.00 0.00 0.00 62.75 62.22 2k4j n ILE 23 Cb 0.00 0.95 -0.10 0.00 -0.00 0.00 0.00 39.64 40.48 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 -1.58 1.63 -0.06 1.39 -0.71 -0.73 -1.20 117.98 116.72 2k4j s PHE 24 Ca 0.02 -1.08 0.02 0.00 -1.04 0.00 0.00 56.93 54.85 2k4j s PHE 24 Cb 0.04 -0.98 -0.03 0.00 -1.21 0.00 0.00 43.02 40.84 2k4j s PHE 24 CO 0.22 -0.20 -0.09 1.03 -1.34 0.00 0.00 175.22 174.85 2k4j s ARG 25 N -3.96 2.68 -0.36 1.99 0.52 -0.20 -0.71 118.95 118.91 2k4j s ARG 25 Ca 0.35 -0.59 -0.14 0.00 -0.52 0.00 0.00 55.73 54.83 2k4j s ARG 25 Cb 0.08 -2.54 -0.00 0.00 0.52 0.00 0.00 34.95 33.01 2k4j s ARG 25 CO 0.13 0.65 0.28 0.54 0.02 0.00 0.00 175.30 176.92 2k4j s VAL 26 N -0.80 5.25 -0.87 3.52 0.11 0.53 -1.07 120.40 127.08 2k4j s VAL 26 Ca 0.12 -0.31 -0.21 0.00 -2.93 0.00 0.00 61.98 58.65 2k4j s VAL 26 Cb -0.11 -3.81 0.09 0.00 -1.53 0.00 0.00 36.38 31.02 2k4j s VAL 26 CO 0.01 -0.13 1.17 -0.62 -3.33 0.00 0.00 175.10 172.21 2k4j s ASP 27 N 1.72 6.45 0.45 3.54 -1.08 -0.24 -1.53 116.67 125.98 2k4j s ASP 27 Ca 0.07 -1.53 0.24 0.00 -0.52 0.00 0.00 52.55 50.81 2k4j s ASP 27 Cb -0.18 -2.46 0.98 0.00 -1.46 0.00 0.00 42.92 39.81 2k4j s ASP 27 CO 0.11 -1.32 1.85 0.50 0.52 0.00 0.00 175.17 176.83 2k4j h LYS 28 N 9.33 0.00 0.10 4.34 1.63 -1.83 -0.62 116.57 129.52 2k4j h LYS 28 Ca 0.03 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.82 2k4j h LYS 28 Cb 1.03 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.67 2k4j h LYS 28 CO 1.21 0.21 -0.05 0.22 -3.45 0.00 0.00 179.45 177.60 2k4j h ASP 29 N 0.00 -0.12 0.40 4.20 3.58 -1.88 -3.36 116.42 119.24 2k4j h ASP 29 Ca -0.00 -0.44 0.00 0.00 0.42 0.00 0.00 57.03 57.01 2k4j h ASP 29 Cb 0.70 0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.78 2k4j h ASP 29 CO 0.03 0.51 -0.64 -0.24 -2.88 0.00 0.00 179.24 176.02 2k4j n SER 30 N -4.84 0.62 -1.37 2.28 2.88 -1.25 -4.87 113.62 107.07 2k4j n SER 30 Ca -0.07 -0.40 -0.00 0.00 -1.33 0.00 0.00 58.87 57.07 2k4j n SER 30 Cb 0.27 0.44 0.00 0.00 -0.75 0.00 0.00 64.21 64.17 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 -1.54 -0.05 -4.15 -1.46 0.63 -0.36 -5.08 116.66 104.65 2k4j n ARG 31 Ca 0.05 0.01 -0.10 0.00 -0.92 0.00 0.00 57.85 56.90 2k4j n ARG 31 Cb 0.34 -1.87 -0.10 0.00 0.45 0.00 0.00 32.46 31.28 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 -3.34 0.86 -0.04 -0.14 2.02 -0.53 -4.53 118.70 113.01 2k4j s GLU 32 Ca 0.00 -1.39 0.01 0.00 0.02 0.00 0.00 54.97 53.61 2k4j s GLU 32 Cb -0.00 0.14 0.02 0.00 0.10 0.00 0.00 34.13 34.39 2k4j s GLU 32 CO 0.01 -0.19 -0.03 0.14 0.02 0.00 0.00 175.26 175.21 2k4j s VAL 33 N -3.94 0.42 -0.38 2.63 -7.23 0.06 -1.08 120.40 110.89 2k4j s VAL 33 Ca 0.19 -0.04 -0.06 0.00 -1.81 0.00 0.00 61.98 60.26 2k4j s VAL 33 Cb 0.07 -0.48 0.07 0.00 0.56 0.00 0.00 36.38 36.60 2k4j s VAL 33 CO -0.01 0.21 0.17 -0.31 -0.31 0.00 0.00 175.10 174.84 2k4j s TYR 34 N 1.05 3.35 0.55 2.82 2.02 -0.23 -1.56 117.35 125.35 2k4j s TYR 34 Ca -0.09 -1.70 -0.18 0.00 -0.37 0.00 0.00 57.07 54.73 2k4j s TYR 34 Cb -0.14 -2.67 -0.06 0.00 -0.40 0.00 0.00 41.96 38.69 2k4j s TYR 34 CO -0.01 -0.83 1.06 1.41 -1.57 0.00 0.00 175.55 175.61 2k4j s MET 35 N 1.34 3.50 0.61 -0.62 1.75 -0.12 -1.03 119.30 124.73 2k4j s MET 35 Ca 0.01 1.30 0.28 0.00 -1.25 0.00 0.00 55.69 56.03 2k4j s MET 35 Cb -0.21 -2.05 1.33 0.00 2.84 0.00 0.00 34.83 36.73 2k4j s MET 35 CO 0.01 -0.67 1.74 1.25 -0.65 0.00 0.00 175.02 176.70 2k4j h HIS 36 N 0.94 0.00 0.00 4.11 2.76 -1.55 -1.16 115.15 120.25 2k4j h HIS 36 Ca -0.48 0.00 -0.30 0.00 -2.20 0.00 0.00 60.37 57.39 2k4j h HIS 36 Cb 1.22 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 30.13 2k4j h HIS 36 CO 0.57 0.00 -2.24 0.39 -1.30 0.00 0.00 177.93 175.35 2k4j n GLU 37 N -3.46 0.68 -3.57 5.26 1.02 -1.26 -5.08 120.64 114.22 2k4j n GLU 37 Ca 0.10 -0.01 -0.10 0.00 -0.02 0.00 0.00 57.16 57.13 2k4j n GLU 37 Cb 0.83 -1.55 -0.05 0.00 -0.02 0.00 0.00 31.44 30.65 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 -2.67 0.60 0.13 3.49 -2.85 -0.44 -5.10 119.74 112.90 2k4j s LYS 38 Ca -0.09 0.12 -0.25 0.00 -1.00 0.00 0.00 55.97 54.74 2k4j s LYS 38 Cb 0.07 0.28 -0.07 0.00 -2.06 0.00 0.00 37.83 36.06 2k4j s LYS 38 CO 0.84 -0.19 0.78 0.21 0.10 0.00 0.00 175.35 177.09 2k4j s LYS 39 N -1.24 4.56 0.01 1.78 2.36 -1.26 -0.94 119.74 125.00 2k4j s LYS 39 Ca -0.01 1.15 -0.08 0.00 -2.55 0.00 0.00 55.97 54.47 2k4j s LYS 39 Cb -0.00 -3.30 0.00 0.00 -1.05 0.00 0.00 37.83 33.48 2k4j s LYS 39 CO 0.01 0.47 0.16 -0.48 1.55 0.00 0.00 175.35 177.06 2k4j s LEU 40 N -0.77 1.46 -0.30 5.43 2.34 -0.60 -4.96 118.68 121.29 2k4j s LEU 40 Ca 0.37 -0.25 0.20 0.00 0.06 0.00 0.00 54.13 54.51 2k4j s LEU 40 Cb -0.22 0.79 0.48 0.00 -0.56 0.00 0.00 46.19 46.68 2k4j s LEU 40 CO 0.25 -0.44 1.09 -0.90 -1.06 0.00 0.00 176.35 175.30 2k4j n ASP 41 N 1.18 1.11 -2.49 1.48 5.75 -1.26 -0.76 116.55 121.56 2k4j n ASP 41 Ca -0.21 -2.33 -0.08 0.00 -0.01 0.00 0.00 54.79 52.16 2k4j n ASP 41 Cb 0.57 -0.33 0.05 0.00 -1.03 0.00 0.00 41.12 40.37 2k4j n ASP 41 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2k4j n LEU 42 N -0.45 0.00 -4.94 -2.12 7.94 -1.26 -4.90 117.00 111.27 2k4j n LEU 42 Ca 0.06 -0.37 -0.25 0.00 -1.11 0.00 0.00 56.01 54.34 2k4j n LEU 42 Cb 0.82 -0.26 0.02 0.00 0.53 0.00 0.00 43.42 44.53 2k4j n LEU 42 CO 0.13 -0.75 0.41 -0.89 -1.11 0.00 0.00 177.39 175.17 2k4j s THR 43 N -1.74 3.78 0.27 1.96 2.01 -1.26 -4.64 115.64 116.01 2k4j s THR 43 Ca 0.19 -0.26 -0.02 0.00 0.31 0.00 0.00 61.69 61.91 2k4j s THR 43 Cb -0.01 -3.45 0.28 0.00 0.01 0.00 0.00 72.50 69.34 2k4j s THR 43 CO 0.14 -0.38 1.66 -0.09 -0.69 0.00 0.00 174.62 175.25 2k4j h ARG 44 N 0.11 0.21 -0.50 4.92 2.43 -1.99 0.11 114.38 119.67 2k4j h ARG 44 Ca -0.46 -0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 58.57 2k4j h ARG 44 Cb 1.26 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 2k4j h ARG 44 CO 0.59 0.14 -0.19 0.00 -1.51 0.00 0.00 179.97 179.00 2k4j h ALA 45 N 1.71 0.70 -0.52 2.80 0.00 -1.94 0.07 119.26 122.08 2k4j h ALA 45 Ca 0.48 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 2k4j h ALA 45 Cb 0.90 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2k4j h ALA 45 CO -0.61 0.67 -0.08 0.93 0.00 0.00 0.00 179.25 180.17 2k4j h GLU 46 N 0.88 0.96 -0.09 0.00 3.07 -1.43 -1.50 114.58 116.46 2k4j h GLU 46 Ca 0.12 -0.33 0.03 0.00 -0.50 0.00 0.00 59.36 58.68 2k4j h GLU 46 Cb 0.77 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.57 2k4j h GLU 46 CO 0.06 0.99 -0.11 -0.92 -1.40 0.00 0.00 179.01 177.64 2k4j h TYR 47 N 0.86 -0.27 -0.75 4.33 3.20 -0.76 -2.00 116.97 121.58 2k4j h TYR 47 Ca 0.14 0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.12 2k4j h TYR 47 Cb 0.62 0.13 -0.07 0.00 1.54 0.00 0.00 36.73 38.95 2k4j h TYR 47 CO 0.04 -0.16 0.40 1.49 -1.64 0.00 0.00 178.16 178.29 2k4j h GLU 48 N -0.14 0.67 -0.18 1.82 4.57 -0.41 0.11 114.58 121.01 2k4j h GLU 48 Ca 0.07 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.17 2k4j h GLU 48 Cb 0.24 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 2k4j h GLU 48 CO -0.17 0.44 -0.06 -0.84 -1.18 0.00 0.00 179.01 177.20 2k4j h ILE 49 N 0.69 1.30 -0.29 2.32 3.07 -1.24 -1.95 117.51 121.40 2k4j h ILE 49 Ca 0.36 -1.06 -0.09 0.00 1.55 0.00 0.00 64.86 65.62 2k4j h ILE 49 Cb 0.34 1.62 -0.01 0.00 -0.27 0.00 0.00 36.82 38.50 2k4j h ILE 49 CO -0.25 0.32 -0.16 -0.07 -1.05 0.00 0.00 178.15 176.94 2k4j h LEU 50 N 0.07 0.64 -0.60 0.16 -0.00 -0.78 0.48 115.31 115.28 2k4j h LEU 50 Ca 0.04 -0.42 0.08 0.00 -0.00 0.00 0.00 57.88 57.59 2k4j h LEU 50 Cb 0.51 -0.18 -0.07 0.00 -0.00 0.00 0.00 40.66 40.93 2k4j h LEU 50 CO 0.02 0.92 0.25 0.77 -0.00 0.00 0.00 178.44 180.40 2k4j h SER 51 N 0.36 0.29 0.11 -0.43 4.64 -0.88 0.60 113.55 118.24 2k4j h SER 51 Ca 0.06 0.06 -0.10 0.00 -0.47 0.00 0.00 61.79 61.34 2k4j h SER 51 Cb 0.68 0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.79 2k4j h SER 51 CO 0.05 0.18 -0.36 0.25 -0.87 0.00 0.00 176.83 176.08 2k4j h LEU 52 N 0.46 0.35 0.17 5.97 5.85 -1.24 -1.32 115.31 125.55 2k4j h LEU 52 Ca 0.29 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 2k4j h LEU 52 Cb 0.32 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.26 2k4j h LEU 52 CO -0.27 0.69 -0.08 0.25 -0.34 0.00 0.00 178.44 178.69 2k4j h LEU 53 N 0.29 -0.19 -0.82 2.25 5.85 -0.07 0.68 115.31 123.30 2k4j h LEU 53 Ca 0.03 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 2k4j h LEU 53 Cb 0.77 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.81 2k4j h LEU 53 CO 0.06 -0.01 0.44 0.40 -0.34 0.00 0.00 178.44 179.00 2k4j h ILE 54 N -0.37 1.24 -0.48 4.05 2.04 -0.90 0.20 117.51 123.29 2k4j h ILE 54 Ca -0.02 -0.61 -0.05 0.00 1.00 0.00 0.00 64.86 65.18 2k4j h ILE 54 Cb 0.29 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 2k4j h ILE 54 CO 0.04 0.27 0.10 -1.28 0.00 0.00 0.00 178.15 177.28 2k4j h SER 55 N 1.14 0.74 1.01 1.72 0.87 -1.09 -3.13 113.55 114.82 2k4j h SER 55 Ca 0.29 -0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 2k4j h SER 55 Cb 0.04 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 61.80 2k4j h SER 55 CO -0.05 0.80 -0.27 2.29 -0.53 0.00 0.00 176.83 179.08 2k4j n LYS 56 N -4.46 0.16 0.00 2.24 2.85 0.22 -5.05 118.16 114.12 2k4j n LYS 56 Ca 0.01 0.09 0.00 0.00 -1.05 0.00 0.00 58.31 57.36 2k4j n LYS 56 Cb 0.24 -1.64 0.00 0.00 -0.65 0.00 0.00 35.03 32.97 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 -1.90 0.00 -0.05 -1.58 5.02 0.05 -4.98 118.16 114.71 2k4j n LYS 57 Ca 0.05 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.29 2k4j n LYS 57 Cb 0.39 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.37 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 -1.63 -0.65 0.72 0.00 -1.76 -3.44 103.07 96.31 2k4j h GLY 58 Ca 0.00 0.80 0.08 0.00 0.00 0.00 0.00 47.33 48.21 2k4j h GLY 58 CO 0.00 -0.52 -0.11 2.98 0.00 0.00 0.00 176.54 178.89 2k4j n TYR 59 N -3.68 -2.19 -3.39 5.60 9.36 -0.85 -4.29 117.16 117.72 2k4j n TYR 59 Ca -0.01 0.37 -0.44 0.00 3.32 0.00 0.00 57.90 61.13 2k4j n TYR 59 Cb 0.12 -0.50 -0.08 0.00 -0.63 0.00 0.00 39.34 38.26 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 -0.50 5.23 -0.59 2.97 1.01 -1.26 -1.07 120.40 126.19 2k4j s VAL 60 Ca 0.00 -1.01 -0.27 0.00 0.00 0.00 0.00 61.98 60.70 2k4j s VAL 60 Cb 0.00 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.27 2k4j s VAL 60 CO 0.00 -0.56 1.54 0.12 0.00 0.00 0.00 175.10 176.20 2k4j s PHE 61 N 1.68 2.08 0.08 5.22 5.36 0.12 -4.72 117.98 127.79 2k4j s PHE 61 Ca 0.04 0.49 0.07 0.00 -0.96 0.00 0.00 56.93 56.57 2k4j s PHE 61 Cb -0.24 -4.33 -0.04 0.00 -0.34 0.00 0.00 43.02 38.08 2k4j s PHE 61 CO 0.07 -2.15 -0.15 -1.12 -1.46 0.00 0.00 175.22 170.41 2k4j s SER 62 N 5.44 4.06 0.33 6.13 0.01 -1.26 -1.21 113.70 127.20 2k4j s SER 62 Ca 0.56 -0.43 0.10 0.00 1.31 0.00 0.00 55.95 57.49 2k4j s SER 62 Cb -0.12 -0.70 0.89 0.00 0.21 0.00 0.00 66.02 66.31 2k4j s SER 62 CO 0.23 0.22 1.75 0.08 0.41 0.00 0.00 173.24 175.92 2k4j h ARG 63 N 4.06 0.57 0.37 12.44 0.11 -1.79 0.14 114.38 130.29 2k4j h ARG 63 Ca -0.49 -0.03 -0.02 0.00 0.10 0.00 0.00 59.98 59.54 2k4j h ARG 63 Cb 1.16 -0.13 0.00 0.00 1.11 0.00 0.00 29.97 32.12 2k4j h ARG 63 CO 0.49 0.38 -0.18 1.49 0.10 0.00 0.00 179.97 182.25 2k4j h GLU 64 N 0.59 -0.48 -0.81 0.08 4.81 -1.88 -1.44 114.58 115.44 2k4j h GLU 64 Ca 0.62 0.03 0.12 0.00 -0.13 0.00 0.00 59.36 60.01 2k4j h GLU 64 Cb 1.20 0.11 -0.08 0.00 0.63 0.00 0.00 28.75 30.61 2k4j h GLU 64 CO -0.43 -0.19 0.42 1.03 -0.73 0.00 0.00 179.01 179.12 2k4j h SER 65 N -1.00 0.54 0.15 1.04 0.87 -1.73 0.15 113.55 113.57 2k4j h SER 65 Ca -0.05 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2k4j h SER 65 Cb 0.52 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.44 2k4j h SER 65 CO 0.08 0.27 -0.29 0.40 -0.53 0.00 0.00 176.83 176.76 2k4j h ILE 66 N 0.66 0.00 0.00 2.23 1.08 -0.80 -0.96 117.51 119.71 2k4j h ILE 66 Ca 0.42 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.89 2k4j h ILE 66 Cb 0.51 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.26 2k4j h ILE 66 CO -0.31 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 177.15 2k4j n ALA 67 N -2.66 1.47 0.11 1.87 0.00 -0.54 -0.30 120.51 120.46 2k4j n ALA 67 Ca -0.06 0.08 -0.21 0.00 0.00 0.00 0.00 53.44 53.25 2k4j n ALA 67 Cb 0.24 -1.31 -0.15 0.00 0.00 0.00 0.00 19.45 18.23 2k4j n ALA 67 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2k4j h ILE 68 N 0.00 1.22 0.04 0.00 1.08 -0.79 -3.20 117.51 115.86 2k4j h ILE 68 Ca 0.00 -2.75 -0.32 0.00 -0.39 0.00 0.00 64.86 61.40 2k4j h ILE 68 Cb 0.24 2.91 -0.04 0.00 -3.07 0.00 0.00 36.82 36.85 2k4j h ILE 68 CO 0.00 0.84 -1.84 -0.62 -0.69 0.00 0.00 178.15 175.84 2k4j n GLU 69 N -3.60 0.67 -0.08 2.37 4.71 -0.30 -4.56 120.64 119.86 2k4j n GLU 69 Ca -0.17 0.27 -0.09 0.00 -0.01 0.00 0.00 57.16 57.16 2k4j n GLU 69 Cb 1.07 -1.75 -0.05 0.00 -1.01 0.00 0.00 31.44 29.70 2k4j n GLU 69 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 2k4j h SER 70 N 0.02 0.00 -0.63 1.62 4.64 -0.87 -3.42 113.55 114.92 2k4j h SER 70 Ca -0.34 -0.21 -0.22 0.00 -0.47 0.00 0.00 61.79 60.55 2k4j h SER 70 Cb 2.03 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 64.04 2k4j h SER 70 CO 0.08 0.93 -0.21 1.21 -0.87 0.00 0.00 176.83 177.97 2k4j n GLU 71 N -4.59 -0.76 0.21 4.77 2.13 -1.21 -4.82 120.64 116.36 2k4j n GLU 71 Ca -0.13 0.84 0.08 0.00 0.66 0.00 0.00 57.16 58.61 2k4j n GLU 71 Cb 0.35 -4.82 0.42 0.00 0.27 0.00 0.00 31.44 27.67 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 -3.27 4.31 0.87 -1.93 -3.42 113.55 110.11 2k4j h SER 72 Ca -0.23 0.00 -0.60 0.00 -1.23 0.00 0.00 61.79 59.74 2k4j h SER 72 Cb 0.76 0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 62.60 2k4j h SER 72 CO 0.32 0.30 -0.45 -0.63 -0.53 0.00 0.00 176.83 175.84 2k4j s ILE 73 N -3.73 5.38 0.01 2.23 -1.09 -1.26 -5.06 121.20 117.68 2k4j s ILE 73 Ca -0.00 0.29 -0.25 0.00 -2.23 0.00 0.00 60.65 58.45 2k4j s ILE 73 Cb 0.11 -3.51 -0.17 0.00 -1.58 0.00 0.00 42.46 37.31 2k4j s ILE 73 CO 0.66 0.43 1.30 0.78 -1.23 0.00 0.00 174.94 176.88 2k4j h ASN 74 N 6.64 -0.24 -3.01 3.58 4.21 -1.94 -3.42 115.58 121.40 2k4j h ASN 74 Ca -0.41 -0.23 -0.54 0.00 1.21 0.00 0.00 56.30 56.33 2k4j h ASN 74 Cb 1.16 0.06 -0.00 0.00 -1.12 0.00 0.00 38.32 38.42 2k4j h ASN 74 CO 0.76 0.12 0.74 -2.16 -1.29 0.00 0.00 177.43 175.59 2k4j s PRO 75 N -4.73 4.33 0.35 0.81 0.04 -1.26 -4.94 135.00 129.60 2k4j s PRO 75 Ca -0.14 1.89 0.26 0.00 0.04 0.00 0.00 61.00 63.05 2k4j s PRO 75 Cb 0.02 -3.48 0.77 0.00 0.04 0.00 0.00 34.50 31.85 2k4j s PRO 75 CO 0.59 -0.47 1.74 1.05 0.04 0.00 0.00 177.00 179.95 2k4j h GLU 76 N 7.42 0.00 -0.00 4.56 9.09 -1.88 -3.09 114.58 130.68 2k4j h GLU 76 Ca -0.38 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.03 2k4j h GLU 76 Cb 1.19 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.29 2k4j h GLU 76 CO 0.88 0.00 -0.01 -1.13 0.05 0.00 0.00 179.01 178.80 2k4j n SER 77 N -2.68 0.23 -4.65 3.06 3.41 -1.26 -3.84 113.62 107.89 2k4j n SER 77 Ca 0.04 -0.95 -0.42 0.00 -0.26 0.00 0.00 58.87 57.27 2k4j n SER 77 Cb 0.41 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.30 2k4j n SER 77 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2k4j s SER 78 N -2.09 6.47 0.34 4.04 0.15 -1.17 -4.90 113.70 116.55 2k4j s SER 78 Ca 0.44 2.20 0.14 0.00 0.70 0.00 0.00 55.95 59.43 2k4j s SER 78 Cb 0.22 -2.53 0.61 0.00 -1.71 0.00 0.00 66.02 62.60 2k4j s SER 78 CO 0.38 -1.10 1.73 -1.13 1.20 0.00 0.00 173.24 174.33 2k4j h ASN 79 N 10.43 0.00 0.20 5.45 -1.24 -1.93 -3.21 115.58 125.30 2k4j h ASN 79 Ca -0.41 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 56.56 2k4j h ASN 79 Cb 1.19 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.24 2k4j h ASN 79 CO 0.96 0.45 -0.18 0.11 -1.29 0.00 0.00 177.43 177.49 2k4j h LYS 80 N 0.00 0.00 0.46 6.67 6.56 -1.98 0.55 116.57 128.84 2k4j h LYS 80 Ca -0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.58 2k4j h LYS 80 Cb 0.87 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.50 2k4j h LYS 80 CO 0.06 0.18 -0.46 1.03 -2.06 0.00 0.00 179.45 178.20 2k4j h SER 81 N 0.00 -1.24 -0.37 0.86 0.87 -1.94 0.41 113.55 112.14 2k4j h SER 81 Ca -0.00 0.10 0.02 0.00 -1.23 0.00 0.00 61.79 60.68 2k4j h SER 81 Cb 0.33 0.41 -0.02 0.00 -0.44 0.00 0.00 62.40 62.68 2k4j h SER 81 CO 0.02 -0.61 0.25 0.40 -0.53 0.00 0.00 176.83 176.36 2k4j h ILE 82 N -0.92 1.04 -0.08 2.23 1.08 -1.35 -1.37 117.51 118.13 2k4j h ILE 82 Ca -0.05 -0.14 -0.20 0.00 -0.39 0.00 0.00 64.86 64.08 2k4j h ILE 82 Cb 0.81 0.59 -0.00 0.00 -3.07 0.00 0.00 36.82 35.14 2k4j h ILE 82 CO -0.06 0.08 -0.77 0.44 -0.69 0.00 0.00 178.15 177.14 2k4j h ASP 83 N 0.42 0.58 -0.37 1.72 3.32 -0.73 0.14 116.42 121.50 2k4j h ASP 83 Ca 0.15 -0.39 -0.01 0.00 0.02 0.00 0.00 57.03 56.80 2k4j h ASP 83 Cb 0.08 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 2k4j h ASP 83 CO -0.03 1.15 0.20 0.58 -1.72 0.00 0.00 179.24 179.41 2k4j h VAL 84 N 0.32 1.15 0.42 -1.35 2.07 -0.51 -0.32 116.25 118.03 2k4j h VAL 84 Ca -0.04 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 2k4j h VAL 84 Cb 1.36 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 2k4j h VAL 84 CO 0.14 0.15 -0.20 0.40 0.02 0.00 0.00 177.57 178.08 2k4j h ILE 85 N 0.46 0.00 -0.02 4.57 5.03 -1.00 -0.52 117.51 126.04 2k4j h ILE 85 Ca 0.13 -0.10 -0.17 0.00 -0.12 0.00 0.00 64.86 64.60 2k4j h ILE 85 Cb 0.07 0.00 -0.02 0.00 -3.03 0.00 0.00 36.82 33.85 2k4j h ILE 85 CO -0.02 0.00 -0.75 0.40 -0.68 0.00 0.00 178.15 177.10 2k4j h ILE 86 N -0.66 1.48 -0.42 -0.67 1.08 -0.85 0.06 117.51 117.52 2k4j h ILE 86 Ca -0.06 -2.40 -0.14 0.00 -0.39 0.00 0.00 64.86 61.87 2k4j h ILE 86 Cb 0.43 2.30 -0.01 0.00 -3.07 0.00 0.00 36.82 36.47 2k4j h ILE 86 CO 0.09 0.70 -0.30 1.23 -0.69 0.00 0.00 178.15 179.18 2k4j h GLY 87 N 1.87 1.01 1.65 5.37 0.00 -1.13 0.50 103.07 112.34 2k4j h GLY 87 Ca -0.02 -0.95 -0.20 0.00 0.00 0.00 0.00 47.33 46.16 2k4j h GLY 87 CO 0.11 0.86 -1.09 -0.09 0.00 0.00 0.00 176.54 176.33 2k4j h ARG 88 N 0.78 0.00 -0.05 4.80 9.65 -1.03 -0.92 114.38 127.62 2k4j h ARG 88 Ca 0.09 0.00 0.01 0.00 -1.10 0.00 0.00 59.98 58.97 2k4j h ARG 88 Cb 0.87 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.45 2k4j h ARG 88 CO 0.08 0.69 -0.00 1.25 2.80 0.00 0.00 179.97 184.79 2k4j h LEU 89 N 0.00 -0.02 -1.33 3.80 6.46 -0.98 -1.21 115.31 122.03 2k4j h LEU 89 Ca -0.09 0.01 0.02 0.00 -0.12 0.00 0.00 57.88 57.70 2k4j h LEU 89 Cb 1.71 0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 41.63 2k4j h LEU 89 CO 0.09 -0.00 0.46 0.03 -0.62 0.00 0.00 178.44 178.40 2k4j h ARG 90 N 0.02 0.88 -0.68 1.25 3.08 -0.84 0.99 114.38 119.08 2k4j h ARG 90 Ca 0.02 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2k4j h ARG 90 Cb 0.02 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 29.84 2k4j h ARG 90 CO -0.04 0.58 0.44 0.77 -1.07 0.00 0.00 179.97 180.66 2k4j h SER 91 N 0.91 0.78 -0.34 7.04 0.02 -0.93 0.73 113.55 121.76 2k4j h SER 91 Ca 0.26 -0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.20 2k4j h SER 91 Cb -0.04 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.28 2k4j h SER 91 CO -0.06 0.57 0.20 0.11 -1.14 0.00 0.00 176.83 176.51 2k4j h LYS 92 N 0.92 0.39 -0.27 3.45 6.56 0.06 -1.58 116.57 126.09 2k4j h LYS 92 Ca 0.25 -0.02 -0.08 0.00 -1.06 0.00 0.00 60.65 59.73 2k4j h LYS 92 Cb -0.09 -0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 31.46 2k4j h LYS 92 CO -0.05 0.26 -0.19 -0.84 -2.06 0.00 0.00 179.45 176.57 2k4j h ILE 93 N 0.40 1.25 -0.29 1.86 -0.00 -0.46 -0.94 117.51 119.33 2k4j h ILE 93 Ca 0.13 -1.13 -0.16 0.00 -0.00 0.00 0.00 64.86 63.70 2k4j h ILE 93 Cb 0.01 1.25 -0.01 0.00 -0.00 0.00 0.00 36.82 38.07 2k4j h ILE 93 CO -0.07 0.36 -0.46 -0.08 -0.00 0.00 0.00 178.15 177.90 2k4j h GLU 94 N 0.44 0.76 0.00 0.16 4.22 -0.75 -3.22 114.58 116.19 2k4j h GLU 94 Ca 0.07 -0.43 -0.22 0.00 0.08 0.00 0.00 59.36 58.86 2k4j h GLU 94 Cb 0.57 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 2k4j h GLU 94 CO 0.04 1.06 -0.93 0.87 -2.18 0.00 0.00 179.01 177.87 2k4j h LYS 95 N 0.60 0.35 -7.55 1.92 1.57 -1.13 -3.46 116.57 108.87 2k4j h LYS 95 Ca 0.03 -0.38 -0.47 0.00 -1.87 0.00 0.00 60.65 57.96 2k4j h LYS 95 Cb 1.03 0.11 0.10 0.00 0.08 0.00 0.00 32.23 33.55 2k4j h LYS 95 CO 0.10 1.07 0.38 -0.80 -0.57 0.00 0.00 179.45 179.63 2k4j s ASN 96 N -7.04 4.45 0.42 0.86 0.01 -0.37 -5.00 114.94 108.26 2k4j s ASN 96 Ca -0.05 0.91 0.27 0.00 -0.71 0.00 0.00 52.86 53.29 2k4j s ASN 96 Cb 0.09 -1.49 0.89 0.00 0.41 0.00 0.00 41.25 41.15 2k4j s ASN 96 CO 0.86 -1.96 1.79 1.55 -1.51 0.00 0.00 177.10 177.83 2k4j h PRO 97 N -1.09 0.00 -6.49 -0.60 0.13 -1.89 -3.47 132.00 118.59 2k4j h PRO 97 Ca -0.47 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.08 2k4j h PRO 97 Cb 1.31 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.50 2k4j h PRO 97 CO 0.64 0.00 0.81 1.17 -0.23 0.00 0.00 178.00 180.39 2k4j n LYS 98 N -2.83 2.14 -4.38 0.86 0.00 -1.26 -5.05 118.16 107.64 2k4j n LYS 98 Ca 0.03 0.77 -0.27 0.00 0.00 0.00 0.00 58.31 58.84 2k4j n LYS 98 Cb 0.39 -2.54 -0.12 0.00 0.00 0.00 0.00 35.03 32.75 2k4j n LYS 98 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 2k4j s GLN 99 N 1.06 1.37 0.77 1.64 -0.21 -1.26 -4.67 119.66 118.36 2k4j s GLN 99 Ca 0.80 -1.37 -0.11 0.00 0.02 0.00 0.00 55.36 54.70 2k4j s GLN 99 Cb -0.68 -1.76 0.05 0.00 1.00 0.00 0.00 33.01 31.62 2k4j s GLN 99 CO 0.39 0.40 1.08 -1.25 -2.12 0.00 0.00 175.29 173.79 2k4j s PRO 100 N -2.23 2.31 0.00 2.91 0.04 -1.26 -4.97 135.00 131.80 2k4j s PRO 100 Ca 0.14 0.81 0.00 0.00 0.04 0.00 0.00 61.00 61.99 2k4j s PRO 100 Cb -0.09 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.52 2k4j s PRO 100 CO 0.07 -1.50 0.00 0.00 0.04 0.00 0.00 177.00 175.60 2k4j n GLN 101 N -3.38 0.00 -0.38 4.56 10.64 -1.26 -4.97 117.38 122.59 2k4j n GLN 101 Ca 0.07 0.00 0.12 0.00 -1.83 0.00 0.00 57.00 55.36 2k4j n GLN 101 Cb 0.55 0.00 0.33 0.00 -0.86 0.00 0.00 30.24 30.26 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 -1.49 0.99 -5.02 2.61 4.02 -1.26 -4.87 117.16 112.15 2k4j n TYR 102 Ca 0.00 -0.50 -0.32 0.00 -0.01 0.00 0.00 57.90 57.07 2k4j n TYR 102 Cb 0.00 -0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.17 2k4j n TYR 102 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 176.86 174.35 2k4j s ILE 103 N -1.00 2.57 0.14 -0.72 2.07 -1.26 -3.70 121.20 119.30 2k4j s ILE 103 Ca 0.50 -0.86 0.10 0.00 -1.41 0.00 0.00 60.65 58.98 2k4j s ILE 103 Cb 0.26 -2.02 -0.04 0.00 0.13 0.00 0.00 42.46 40.79 2k4j s ILE 103 CO 0.34 0.55 -0.23 -0.63 -1.91 0.00 0.00 174.94 173.06 2k4j s ILE 104 N 0.06 2.03 0.02 2.00 -1.09 0.12 -4.99 121.20 119.35 2k4j s ILE 104 Ca -0.08 -1.79 -0.08 0.00 -2.23 0.00 0.00 60.65 56.47 2k4j s ILE 104 Cb -0.15 -1.86 -0.05 0.00 -1.58 0.00 0.00 42.46 38.81 2k4j s ILE 104 CO 0.05 -0.08 0.32 -0.94 -1.23 0.00 0.00 174.94 173.06 2k4j s SER 105 N -2.27 6.57 -0.36 3.58 1.04 -1.26 -0.27 113.70 120.72 2k4j s SER 105 Ca 0.14 0.67 0.01 0.00 0.48 0.00 0.00 55.95 57.25 2k4j s SER 105 Cb -0.09 -2.13 0.11 0.00 0.10 0.00 0.00 66.02 64.01 2k4j s SER 105 CO 0.06 0.25 0.14 -0.69 0.98 0.00 0.00 173.24 173.98 2k4j s VAL 106 N -1.29 1.43 0.00 5.02 1.01 0.70 -4.86 120.40 122.41 2k4j s VAL 106 Ca 0.28 -2.04 0.00 0.00 0.00 0.00 0.00 61.98 60.22 2k4j s VAL 106 Cb -0.14 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.20 2k4j s VAL 106 CO 0.16 -0.73 0.00 0.54 0.00 0.00 0.00 175.10 175.07 2k4j n ARG 107 N 4.25 -0.79 -1.01 2.72 3.00 -1.26 -1.70 116.66 121.88 2k4j n ARG 107 Ca 0.03 0.20 -0.00 0.00 -0.01 0.00 0.00 57.85 58.06 2k4j n ARG 107 Cb 0.39 -4.36 -0.00 0.00 0.00 0.00 0.00 32.46 28.49 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 -0.91 0.47 0.44 -0.13 0.00 -1.26 -4.90 105.19 98.89 2k4j n GLY 108 Ca 0.00 -0.15 -0.06 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.92 0.35 -4.42 -0.61 5.41 -0.69 -4.93 119.36 111.56 2k4j n ILE 109 Ca -0.00 -0.11 -0.25 0.00 1.00 0.00 0.00 62.75 63.39 2k4j n ILE 109 Cb 0.05 -1.18 -0.10 0.00 -0.71 0.00 0.00 39.64 37.70 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 -4.87 1.79 -0.11 7.39 0.00 -0.69 -2.23 107.32 108.62 2k4j s GLY 110 Ca -0.09 -1.75 -0.01 0.00 0.00 0.00 0.00 44.72 42.87 2k4j s GLY 110 CO 0.13 -1.81 -0.01 -0.19 0.00 0.00 0.00 173.10 171.22 2k4j s TYR 111 N -2.19 0.95 -0.20 1.90 1.51 -0.35 -0.22 117.35 118.75 2k4j s TYR 111 Ca 0.27 -0.45 -0.26 0.00 -1.01 0.00 0.00 57.07 55.62 2k4j s TYR 111 Cb -0.06 -0.95 -0.01 0.00 -0.11 0.00 0.00 41.96 40.83 2k4j s TYR 111 CO 0.14 -0.43 0.88 0.21 -1.11 0.00 0.00 175.55 175.24 2k4j s LYS 112 N 1.88 4.26 0.31 -0.62 2.36 0.62 -0.70 119.74 127.86 2k4j s LYS 112 Ca 0.04 1.08 0.08 0.00 -2.55 0.00 0.00 55.97 54.62 2k4j s LYS 112 Cb -0.13 -3.60 -0.06 0.00 -1.05 0.00 0.00 37.83 32.98 2k4j s LYS 112 CO -0.06 -0.43 -0.08 -1.17 1.55 0.00 0.00 175.35 175.15 2k4j s LEU 113 N 2.52 2.61 0.10 5.43 0.20 -0.23 -0.70 118.68 128.60 2k4j s LEU 113 Ca 0.39 -1.19 -0.15 0.00 0.69 0.00 0.00 54.13 53.87 2k4j s LEU 113 Cb -0.16 -0.84 0.03 0.00 -0.43 0.00 0.00 46.19 44.79 2k4j s LEU 113 CO 0.10 -0.26 0.36 -1.83 -0.29 0.00 0.00 176.35 174.43 2k4j s GLU 114 N -3.66 0.98 0.00 1.98 -1.05 -1.24 -2.01 118.70 113.69 2k4j s GLU 114 Ca 0.31 -0.67 0.26 0.00 -0.15 0.00 0.00 54.97 54.72 2k4j s GLU 114 Cb 0.03 0.43 0.55 0.00 -0.44 0.00 0.00 34.13 34.70 2k4j s GLU 114 CO 0.14 -0.36 1.46 2.48 0.95 0.00 0.00 175.26 179.94