#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2b s SER 2 N 0.00 6.27 0.66 7.83 0.01 -0.70 -4.96 113.70 122.81 2k2b s SER 2 Ca 0.00 0.31 0.29 0.00 1.31 0.00 0.00 55.95 57.86 2k2b s SER 2 Cb 0.00 -2.11 1.58 0.00 0.21 0.00 0.00 66.02 65.70 2k2b s SER 2 CO 0.00 0.18 1.90 -0.50 0.41 0.00 0.00 173.24 175.23 2k2b h TRP 3 N 6.54 0.00 -0.54 2.43 6.55 -1.94 0.15 115.95 129.14 2k2b h TRP 3 Ca -0.42 0.00 -0.02 0.00 0.95 0.00 0.00 58.89 59.40 2k2b h TRP 3 Cb 1.16 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 29.43 2k2b h TRP 3 CO 0.60 0.00 0.25 0.52 -1.05 0.00 0.00 178.44 178.76 2k2b h MET 4 N 0.00 0.79 -0.35 0.49 2.86 -1.88 0.47 114.93 117.31 2k2b h MET 4 Ca 0.02 -0.12 -0.12 0.00 -2.06 0.00 0.00 59.70 57.42 2k2b h MET 4 Cb 0.75 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 2k2b h MET 4 CO -0.00 0.66 -0.26 -0.56 1.06 0.00 0.00 176.91 177.80 2k2b h GLN 5 N 0.73 0.70 -0.31 1.72 3.07 -0.96 -1.77 115.11 118.29 2k2b h GLN 5 Ca 0.18 -0.30 -0.02 0.00 0.09 0.00 0.00 58.65 58.61 2k2b h GLN 5 Cb 0.14 -0.03 -0.02 0.00 0.08 0.00 0.00 27.48 27.65 2k2b h GLN 5 CO -0.02 0.89 0.09 -0.97 0.09 0.00 0.00 178.83 178.91 2k2b h ASN 6 N 0.61 0.40 -0.17 0.06 -0.00 -1.22 -1.97 115.58 113.28 2k2b h ASN 6 Ca 0.08 -0.04 -0.09 0.00 -0.00 0.00 0.00 56.30 56.25 2k2b h ASN 6 Cb 0.76 -0.10 -0.00 0.00 -0.00 0.00 0.00 38.32 38.98 2k2b h ASN 6 CO 0.06 0.39 -0.23 -0.07 -0.00 0.00 0.00 177.43 177.58 2k2b h LEU 7 N 0.44 0.50 -1.79 0.34 3.38 0.31 -1.78 115.31 116.70 2k2b h LEU 7 Ca 0.11 -0.51 -0.03 0.00 0.09 0.00 0.00 57.88 57.53 2k2b h LEU 7 Cb 0.14 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2k2b h LEU 7 CO -0.01 0.91 -0.14 0.50 0.09 0.00 0.00 178.44 179.79 2k2b h LYS 8 N 0.10 0.00 -0.52 1.13 3.64 -1.02 -0.26 116.57 119.63 2k2b h LYS 8 Ca 0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2k2b h LYS 8 Cb 0.80 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 2k2b h LYS 8 CO 0.05 0.14 0.00 0.27 -2.27 0.00 0.00 179.45 177.65 2k2b n ASN 9 N -3.65 3.65 -0.09 4.20 0.23 -0.77 -4.24 115.26 114.59 2k2b n ASN 9 Ca -0.02 -2.00 -0.22 0.00 -0.53 0.00 0.00 54.58 51.81 2k2b n ASN 9 Cb 0.27 -0.34 -0.12 0.00 -2.08 0.00 0.00 39.78 37.51 2k2b n ASN 9 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2k2b n TYR 10 N 1.56 0.96 -3.90 -2.53 4.19 -0.18 -4.58 117.16 112.68 2k2b n TYR 10 Ca 0.21 0.37 -0.10 0.00 3.31 0.00 0.00 57.90 61.69 2k2b n TYR 10 Cb 0.61 -1.10 -0.00 0.00 0.49 0.00 0.00 39.34 39.34 2k2b n TYR 10 CO 0.00 0.00 0.00 1.14 0.91 0.00 0.00 176.86 178.91 2k2b s GLN 11 N -2.41 2.04 0.00 2.98 0.00 -0.77 -5.01 119.66 116.49 2k2b s GLN 11 Ca -0.29 -1.43 0.00 0.00 -0.00 0.00 0.00 55.36 53.65 2k2b s GLN 11 Cb 0.07 0.57 0.00 0.00 0.00 0.00 0.00 33.01 33.65 2k2b s GLN 11 CO 0.61 -0.92 0.00 -2.39 0.00 0.00 0.00 175.29 172.59 2k2b n HIS 12 N -0.51 -1.39 -1.68 9.60 1.44 -1.26 -4.46 115.22 116.96 2k2b n HIS 12 Ca -0.05 0.00 -0.55 0.00 -2.01 0.00 0.00 57.72 55.11 2k2b n HIS 12 Cb 0.60 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.65 2k2b n HIS 12 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 2k2b n LEU 13 N 0.00 2.32 0.01 2.39 0.00 -1.26 -4.87 117.00 115.59 2k2b n LEU 13 Ca 0.00 1.08 0.00 0.00 0.00 0.00 0.00 56.01 57.09 2k2b n LEU 13 Cb 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 43.42 42.24 2k2b n LEU 13 CO 0.00 -0.54 0.00 -1.14 0.00 0.00 0.00 177.39 175.71 2k2b n ARG 14 N 4.77 0.00 -3.26 1.96 3.00 -1.26 -5.01 116.66 116.85 2k2b n ARG 14 Ca 0.24 0.00 -0.25 0.00 -0.00 0.00 0.00 57.85 57.84 2k2b n ARG 14 Cb 0.16 -0.09 -0.08 0.00 0.00 0.00 0.00 32.46 32.45 2k2b n ARG 14 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2k2b n ASP 15 N -2.70 -0.11 0.00 6.15 8.00 -1.26 -5.02 116.55 121.61 2k2b n ASP 15 Ca 0.00 -2.57 0.00 0.00 0.71 0.00 0.00 54.79 52.93 2k2b n ASP 15 Cb 0.00 -0.58 0.00 0.00 -0.02 0.00 0.00 41.12 40.52 2k2b n ASP 15 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 2k2b n PRO 16 N 1.95 0.00 -0.01 -0.24 -0.02 -1.26 -4.38 135.00 131.04 2k2b n PRO 16 Ca 0.24 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.56 2k2b n PRO 16 Cb 0.51 0.00 -0.14 0.00 -0.02 0.00 0.00 33.50 33.85 2k2b n PRO 16 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2k2b n SER 17 N 0.00 1.58 -0.04 2.55 7.64 -1.26 -2.63 113.62 121.47 2k2b n SER 17 Ca 0.00 0.28 -0.14 0.00 1.01 0.00 0.00 58.87 60.02 2k2b n SER 17 Cb 0.00 -0.50 -0.09 0.00 -1.01 0.00 0.00 64.21 62.61 2k2b n SER 17 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2k2b h GLU 18 N 0.04 -0.50 -0.05 1.43 3.07 -1.91 -2.38 114.58 114.28 2k2b h GLU 18 Ca -0.37 0.03 -0.23 0.00 -0.50 0.00 0.00 59.36 58.29 2k2b h GLU 18 Cb 2.03 0.11 0.01 0.00 -0.84 0.00 0.00 28.75 30.06 2k2b h GLU 18 CO 0.08 -0.33 -0.91 1.88 -1.40 0.00 0.00 179.01 178.33 2k2b h TYR 19 N -0.52 0.88 -0.92 4.33 0.05 -1.93 -0.80 116.97 118.07 2k2b h TYR 19 Ca 0.06 -0.44 0.21 0.00 0.05 0.00 0.00 58.73 58.60 2k2b h TYR 19 Cb 0.65 -0.12 -0.12 0.00 1.01 0.00 0.00 36.73 38.16 2k2b h TYR 19 CO -0.59 1.26 0.47 1.98 -1.05 0.00 0.00 178.16 180.23 2k2b h MET 20 N 0.38 0.50 0.00 4.88 4.05 -1.33 -0.79 114.93 122.62 2k2b h MET 20 Ca -0.08 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.30 2k2b h MET 20 Cb 1.54 -0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 32.22 2k2b h MET 20 CO 0.17 0.33 -1.40 0.45 0.23 0.00 0.00 176.91 176.70 2k2b n SER 21 N -4.95 0.53 0.24 1.39 2.88 -0.91 -4.25 113.62 108.55 2k2b n SER 21 Ca 0.22 0.21 0.10 0.00 -1.33 0.00 0.00 58.87 58.07 2k2b n SER 21 Cb 0.63 1.01 0.59 0.00 -0.75 0.00 0.00 64.21 65.69 2k2b n SER 21 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 2k2b h GLN 22 N 0.00 0.00 -5.42 -1.46 5.75 0.33 -3.41 115.11 110.90 2k2b h GLN 22 Ca -0.01 0.00 -0.60 0.00 -0.15 0.00 0.00 58.65 57.89 2k2b h GLN 22 Cb 1.03 0.00 -0.11 0.00 1.07 0.00 0.00 27.48 29.47 2k2b h GLN 22 CO 0.00 0.19 -0.23 0.54 -2.65 0.00 0.00 178.83 176.68 2k2b s VAL 23 N -4.05 5.22 0.28 2.39 0.11 -0.93 -4.83 120.40 118.60 2k2b s VAL 23 Ca -0.02 0.67 0.01 0.00 -2.93 0.00 0.00 61.98 59.71 2k2b s VAL 23 Cb 0.13 -3.71 0.08 0.00 -1.53 0.00 0.00 36.38 31.35 2k2b s VAL 23 CO 0.62 0.28 1.73 0.22 -3.33 0.00 0.00 175.10 174.62 2k2b h TYR 24 N 7.28 0.60 0.00 1.54 3.20 -1.91 -3.44 116.97 124.24 2k2b h TYR 24 Ca -0.37 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 61.38 2k2b h TYR 24 Cb 1.16 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.28 2k2b h TYR 24 CO 0.67 0.71 0.00 0.41 -1.64 0.00 0.00 178.16 178.31 2k2b n GLY 25 N -0.44 -0.07 3.66 1.82 0.00 -1.26 -4.91 105.19 103.99 2k2b n GLY 25 Ca 0.00 -1.09 -0.42 0.00 0.00 0.00 0.00 46.02 44.51 2k2b n GLY 25 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k2b s ASP 26 N -1.21 6.76 0.09 1.61 1.11 -1.26 -4.94 116.67 118.83 2k2b s ASP 26 Ca 0.00 2.07 -0.27 0.00 0.18 0.00 0.00 52.55 54.53 2k2b s ASP 26 Cb 0.00 -2.54 -0.13 0.00 1.07 0.00 0.00 42.92 41.32 2k2b s ASP 26 CO 0.00 -0.86 1.67 1.55 1.18 0.00 0.00 175.17 178.71 2k2b h PRO 27 N 9.00 -0.39 -0.87 8.23 0.13 -1.84 -2.94 132.00 143.31 2k2b h PRO 27 Ca -0.35 0.03 0.05 0.00 -0.87 0.00 0.00 66.00 64.85 2k2b h PRO 27 Cb 1.16 0.09 -0.05 0.00 0.13 0.00 0.00 31.00 32.32 2k2b h PRO 27 CO 0.95 -0.26 0.57 1.25 -0.23 0.00 0.00 178.00 180.28 2k2b h LEU 28 N -0.41 0.91 0.05 1.56 7.12 -1.92 0.41 115.31 123.04 2k2b h LEU 28 Ca -0.01 -0.00 -0.00 0.00 0.13 0.00 0.00 57.88 57.99 2k2b h LEU 28 Cb 0.36 -0.20 0.00 0.00 -0.53 0.00 0.00 40.66 40.29 2k2b h LEU 28 CO -0.01 0.61 -0.02 0.00 -0.13 0.00 0.00 178.44 178.89 2k2b h ALA 29 N 1.51 -0.95 -0.53 1.25 0.00 -1.89 -1.09 119.26 117.56 2k2b h ALA 29 Ca 0.36 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.26 2k2b h ALA 29 Cb 0.10 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2k2b h ALA 29 CO -0.12 -0.94 0.35 -0.92 0.00 0.00 0.00 179.25 177.62 2k2b h TYR 30 N -0.07 0.66 -0.02 0.00 3.20 -1.52 -2.70 116.97 116.52 2k2b h TYR 30 Ca -0.01 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2k2b h TYR 30 Cb 0.05 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.09 2k2b h TYR 30 CO 0.20 0.41 0.01 1.25 -1.64 0.00 0.00 178.16 178.40 2k2b h LEU 31 N 0.71 0.02 -0.08 2.82 5.85 -0.99 0.14 115.31 123.78 2k2b h LEU 31 Ca 0.20 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 2k2b h LEU 31 Cb -0.08 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 40.95 2k2b h LEU 31 CO -0.05 0.03 0.04 -0.61 -0.34 0.00 0.00 178.44 177.51 2k2b h GLN 32 N 0.01 0.11 -0.13 1.25 5.75 -1.12 0.16 115.11 121.15 2k2b h GLN 32 Ca 0.01 -0.02 -0.09 0.00 -0.15 0.00 0.00 58.65 58.40 2k2b h GLN 32 Cb 0.02 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.53 2k2b h GLN 32 CO -0.00 0.21 -0.32 0.93 -2.65 0.00 0.00 178.83 177.00 2k2b h GLU 33 N -0.01 0.24 -0.21 1.69 3.07 -1.45 -0.05 114.58 117.87 2k2b h GLU 33 Ca 0.03 -0.09 -0.12 0.00 -0.50 0.00 0.00 59.36 58.67 2k2b h GLU 33 Cb 0.13 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.03 2k2b h GLU 33 CO -0.00 0.54 -0.35 1.15 -1.40 0.00 0.00 179.01 178.95 2k2b h THR 34 N 0.21 1.33 0.00 1.13 2.02 -0.47 -2.51 112.91 114.63 2k2b h THR 34 Ca 0.03 -1.57 -0.02 0.00 0.77 0.00 0.00 66.41 65.62 2k2b h THR 34 Cb 0.67 1.83 -0.00 0.00 -1.74 0.00 0.00 68.15 68.91 2k2b h THR 34 CO 0.05 0.49 -0.07 0.74 0.37 0.00 0.00 175.52 177.09 2k2b h THR 35 N 0.28 0.41 0.00 3.16 2.02 -0.54 -0.02 112.91 118.23 2k2b h THR 35 Ca 0.01 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.81 2k2b h THR 35 Cb 0.94 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.62 2k2b h THR 35 CO 0.08 0.07 0.00 1.17 0.37 0.00 0.00 175.52 177.21 2k2b n LYS 36 N -3.52 0.07 0.00 6.66 3.00 -0.04 -5.03 118.16 119.30 2k2b n LYS 36 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 2k2b n LYS 36 Cb 0.20 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.73 2k2b n LYS 36 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2k2b n PHE 37 N -1.46 0.00 -0.43 5.64 7.35 -0.02 -4.81 117.46 123.73 2k2b n PHE 37 Ca 0.08 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.68 2k2b n PHE 37 Cb 0.32 -0.03 0.03 0.00 0.35 0.00 0.00 39.48 40.15 2k2b n PHE 37 CO 0.00 0.00 0.00 1.33 -0.76 0.00 0.00 176.76 177.33 2k2b n VAL 38 N 0.70 2.24 -1.90 -2.13 0.24 -1.26 -3.79 118.33 112.43 2k2b n VAL 38 Ca 0.00 -1.02 0.00 0.00 -2.04 0.00 0.00 64.34 61.28 2k2b n VAL 38 Cb 0.00 -1.25 0.00 0.00 -1.47 0.00 0.00 33.84 31.12 2k2b n VAL 38 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 2k2b n THR 39 N 0.58 0.00 -3.10 3.34 5.66 -1.26 -4.90 114.28 114.60 2k2b n THR 39 Ca 0.18 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.79 2k2b n THR 39 Cb 0.63 0.54 -0.05 0.00 -1.55 0.00 0.00 70.33 69.89 2k2b n THR 39 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 2k2b s GLU 40 N 0.00 4.40 0.36 1.09 0.41 -1.25 -4.96 118.70 118.75 2k2b s GLU 40 Ca 0.00 0.89 0.15 0.00 -0.41 0.00 0.00 54.97 55.60 2k2b s GLU 40 Cb 0.00 -3.35 1.03 0.00 -1.78 0.00 0.00 34.13 30.03 2k2b s GLU 40 CO 0.00 0.34 1.73 0.07 -0.49 0.00 0.00 175.26 176.90 2k2b h ARG 41 N 5.61 0.43 -0.67 1.61 -0.00 -1.98 0.16 114.38 119.55 2k2b h ARG 41 Ca -0.45 -0.03 0.10 0.00 -0.00 0.00 0.00 59.98 59.61 2k2b h ARG 41 Cb 1.20 -0.10 -0.04 0.00 -0.00 0.00 0.00 29.97 31.03 2k2b h ARG 41 CO 0.70 0.28 0.44 0.93 -0.00 0.00 0.00 179.97 182.33 2k2b h GLU 42 N 0.44 0.50 -0.55 0.08 3.07 -1.99 0.23 114.58 116.36 2k2b h GLU 42 Ca 0.65 -0.03 -0.11 0.00 -0.50 0.00 0.00 59.36 59.38 2k2b h GLU 42 Cb 1.49 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 29.27 2k2b h GLU 42 CO -0.43 0.33 -0.08 1.88 -1.40 0.00 0.00 179.01 179.31 2k2b h TYR 43 N 0.51 1.14 0.00 4.33 0.05 -1.06 -2.39 116.97 119.55 2k2b h TYR 43 Ca 0.31 -0.23 0.00 0.00 0.05 0.00 0.00 58.73 58.86 2k2b h TYR 43 Cb 0.53 -0.29 0.00 0.00 1.01 0.00 0.00 36.73 37.98 2k2b h TYR 43 CO -0.00 1.05 0.00 0.66 -1.05 0.00 0.00 178.16 178.82 2k2b n TYR 44 N -4.17 0.00 0.42 4.88 4.01 0.61 -1.33 117.16 121.58 2k2b n TYR 44 Ca 0.02 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.87 2k2b n TYR 44 Cb 0.39 -0.39 0.12 0.00 -0.31 0.00 0.00 39.34 39.15 2k2b n TYR 44 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 2k2b h GLU 45 N 0.00 0.00 0.00 -0.72 4.39 -0.44 -3.38 114.58 114.43 2k2b h GLU 45 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2k2b h GLU 45 Cb 0.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 2k2b h GLU 45 CO 0.00 0.00 0.00 -0.25 -1.16 0.00 0.00 179.01 177.60 2k2b n ASP 46 N -2.33 0.00 0.00 1.42 8.00 -0.44 -4.84 116.55 118.36 2k2b n ASP 46 Ca 0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.52 2k2b n ASP 46 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 2k2b n ASP 46 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2k2b n PHE 47 N 0.00 0.00 -3.65 1.24 3.72 -1.26 -4.52 117.46 112.99 2k2b n PHE 47 Ca 0.00 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.19 2k2b n PHE 47 Cb 0.00 0.00 -0.18 0.00 -0.94 0.00 0.00 39.48 38.36 2k2b n PHE 47 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2k2b s GLY 48 N 0.00 0.23 -0.41 1.37 0.00 -1.14 -5.01 107.32 102.36 2k2b s GLY 48 Ca 0.00 0.10 0.02 0.00 0.00 0.00 0.00 44.72 44.84 2k2b s GLY 48 CO 0.00 1.50 0.25 -2.52 0.00 0.00 0.00 173.10 172.33 2k2b s TYR 49 N 2.17 1.49 0.00 1.90 1.13 -1.26 -2.70 117.35 120.09 2k2b s TYR 49 Ca 0.04 -2.16 0.00 0.00 -1.41 0.00 0.00 57.07 53.54 2k2b s TYR 49 Cb -0.13 -1.47 0.00 0.00 -1.10 0.00 0.00 41.96 39.26 2k2b s TYR 49 CO -0.05 -0.79 0.00 0.41 -2.51 0.00 0.00 175.55 172.61 2k2b n GLY 50 N 3.60 0.34 0.10 5.49 0.00 -1.26 -3.52 105.19 109.94 2k2b n GLY 50 Ca 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.12 2k2b n GLY 50 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2k2b h GLU 51 N 0.00 0.00 -2.00 1.61 9.09 -1.81 -3.39 114.58 118.08 2k2b h GLU 51 Ca 0.00 0.00 0.26 0.00 0.05 0.00 0.00 59.36 59.67 2k2b h GLU 51 Cb 0.00 0.00 -0.08 0.00 -1.65 0.00 0.00 28.75 27.02 2k2b h GLU 51 CO 0.00 0.76 0.71 0.00 0.05 0.00 0.00 179.01 180.53 2k2b s PHE 53 N -2.50 2.64 0.22 0.00 5.36 -1.26 -4.40 117.98 118.03 2k2b s PHE 53 Ca 0.18 0.83 -0.07 0.00 -0.96 0.00 0.00 56.93 56.91 2k2b s PHE 53 Cb 0.01 -4.00 -0.02 0.00 -0.34 0.00 0.00 43.02 38.66 2k2b s PHE 53 CO 0.00 -1.74 0.29 0.54 -1.46 0.00 0.00 175.22 172.86 2k2b s ASN 54 N 2.99 0.04 -0.11 6.13 2.20 -1.10 -3.75 114.94 121.34 2k2b s ASN 54 Ca 0.57 -1.13 0.20 0.00 -0.94 0.00 0.00 52.86 51.55 2k2b s ASN 54 Cb -0.16 0.47 -0.28 0.00 -2.00 0.00 0.00 41.25 39.29 2k2b s ASN 54 CO 0.25 -0.97 0.30 -0.24 -2.94 0.00 0.00 177.10 173.50 2k2b n SER 55 N -0.31 0.06 -4.75 3.54 2.88 -1.26 -2.86 113.62 110.92 2k2b n SER 55 Ca -0.01 0.02 -0.40 0.00 -1.33 0.00 0.00 58.87 57.16 2k2b n SER 55 Cb 0.64 1.39 -0.05 0.00 -0.75 0.00 0.00 64.21 65.44 2k2b n SER 55 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2k2b s THR 56 N -2.98 4.48 -0.84 2.46 2.01 -1.26 -4.89 115.64 114.62 2k2b s THR 56 Ca -0.09 1.83 -0.21 0.00 0.31 0.00 0.00 61.69 63.54 2k2b s THR 56 Cb 0.10 -4.21 -0.20 0.00 0.01 0.00 0.00 72.50 68.20 2k2b s THR 56 CO 0.86 0.41 2.36 1.21 -0.69 0.00 0.00 174.62 178.78 2k2b n GLU 57 N 2.29 0.39 0.00 4.92 2.13 -1.26 -4.74 120.64 124.37 2k2b n GLU 57 Ca -0.02 -0.40 0.00 0.00 0.66 0.00 0.00 57.16 57.40 2k2b n GLU 57 Cb 0.49 -2.61 0.00 0.00 0.27 0.00 0.00 31.44 29.59 2k2b n GLU 57 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 2k2b n SER 58 N 13.46 0.00 -3.18 4.31 3.41 -1.26 -4.98 113.62 125.37 2k2b n SER 58 Ca 0.54 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.92 2k2b n SER 58 Cb 0.32 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.29 2k2b n SER 58 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2k2b n GLU 59 N 0.00 -4.69 -0.08 4.33 1.02 -1.26 -4.93 120.64 115.03 2k2b n GLU 59 Ca 0.00 0.77 -0.09 0.00 -0.02 0.00 0.00 57.16 57.82 2k2b n GLU 59 Cb 0.00 -5.61 -0.04 0.00 -0.02 0.00 0.00 31.44 25.77 2k2b n GLU 59 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2k2b h VAL 60 N -1.38 0.25 -2.22 2.62 2.07 -1.93 -3.46 116.25 112.19 2k2b h VAL 60 Ca -0.51 -1.32 -0.00 0.00 0.82 0.00 0.00 66.70 65.69 2k2b h VAL 60 Cb 1.35 0.60 -0.23 0.00 -1.52 0.00 0.00 31.29 31.48 2k2b h VAL 60 CO 0.56 0.08 -0.19 -1.58 0.02 0.00 0.00 177.57 176.46 2k2b s GLN 61 N -2.26 0.50 0.64 1.57 0.74 -1.26 -5.01 119.66 114.59 2k2b s GLN 61 Ca -0.18 1.22 -0.18 0.00 0.05 0.00 0.00 55.36 56.27 2k2b s GLN 61 Cb 0.03 0.49 -0.02 0.00 1.10 0.00 0.00 33.01 34.61 2k2b s GLN 61 CO 0.31 -0.20 1.17 0.00 -0.55 0.00 0.00 175.29 176.02 2k2b s GLU 63 N -3.16 -1.02 0.02 0.00 2.02 -1.25 -4.98 118.70 110.33 2k2b s GLU 63 Ca 0.81 -0.20 0.03 0.00 0.02 0.00 0.00 54.97 55.62 2k2b s GLU 63 Cb -0.39 -1.63 -0.01 0.00 0.10 0.00 0.00 34.13 32.19 2k2b s GLU 63 CO 0.42 -3.56 -0.09 -1.17 0.02 0.00 0.00 175.26 170.89 2k2b s LEU 64 N -6.78 2.12 0.31 1.80 2.96 -1.26 -4.93 118.68 112.91 2k2b s LEU 64 Ca 0.72 -0.33 0.25 0.00 -0.22 0.00 0.00 54.13 54.55 2k2b s LEU 64 Cb -0.07 -0.36 1.10 0.00 0.50 0.00 0.00 46.19 47.36 2k2b s LEU 64 CO 0.55 -0.01 1.75 0.16 -1.32 0.00 0.00 176.35 177.48 2k2b h ILE 65 N 4.72 0.00 -0.07 6.68 3.07 -1.98 -2.91 117.51 127.02 2k2b h ILE 65 Ca -0.33 -0.21 0.02 0.00 1.55 0.00 0.00 64.86 65.89 2k2b h ILE 65 Cb 1.19 0.93 -0.00 0.00 -0.27 0.00 0.00 36.82 38.66 2k2b h ILE 65 CO 0.46 0.00 0.17 0.74 -1.05 0.00 0.00 178.15 178.47 2k2b h THR 66 N 0.00 0.21 0.00 0.16 2.02 -1.96 -3.41 112.91 109.93 2k2b h THR 66 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2k2b h THR 66 Cb 0.30 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 2k2b h THR 66 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 2k2b n GLY 67 N -1.25 -0.80 0.00 2.16 0.00 -1.20 -0.91 105.19 103.18 2k2b n GLY 67 Ca -0.01 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2k2b n GLY 67 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k2b n GLU 68 N -2.72 0.00 -4.39 1.61 -0.58 -1.10 -1.71 120.64 111.75 2k2b n GLU 68 Ca 0.00 0.50 -0.23 0.00 -0.42 0.00 0.00 57.16 57.01 2k2b n GLU 68 Cb 0.00 -1.40 -0.13 0.00 -0.57 0.00 0.00 31.44 29.34 2k2b n GLU 68 CO 0.00 0.00 0.00 -0.59 -0.48 0.00 0.00 177.13 176.06 2k2b s PHE 69 N -2.59 1.61 -0.20 -0.32 -0.71 -1.24 -3.30 117.98 111.22 2k2b s PHE 69 Ca 0.00 -0.40 -0.06 0.00 -1.04 0.00 0.00 56.93 55.43 2k2b s PHE 69 Cb 0.00 -0.92 -0.03 0.00 -1.21 0.00 0.00 43.02 40.86 2k2b s PHE 69 CO 0.00 0.12 0.03 0.34 -1.34 0.00 0.00 175.22 174.37 2k2b s ASP 70 N -1.52 5.12 0.00 1.98 2.15 -1.26 -4.01 116.67 119.13 2k2b s ASP 70 Ca 0.05 -0.12 0.23 0.00 0.43 0.00 0.00 52.55 53.14 2k2b s ASP 70 Cb -0.09 -1.88 0.09 0.00 -0.30 0.00 0.00 42.92 40.73 2k2b s ASP 70 CO 0.03 0.08 1.16 -0.81 -0.17 0.00 0.00 175.17 175.46 2k2b n PRO 71 N 4.14 1.77 -0.07 4.34 -0.04 -1.26 -4.67 135.00 139.20 2k2b n PRO 71 Ca -0.17 -1.46 -0.13 0.00 -0.04 0.00 0.00 63.50 61.71 2k2b n PRO 71 Cb 0.52 -1.46 -0.04 0.00 -0.04 0.00 0.00 33.50 32.48 2k2b n PRO 71 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2k2b n LYS 72 N 0.67 0.36 0.16 0.54 5.02 -1.26 -4.78 118.16 118.87 2k2b n LYS 72 Ca 0.11 0.15 0.01 0.00 -2.02 0.00 0.00 58.31 56.57 2k2b n LYS 72 Cb 0.53 -1.12 0.26 0.00 -0.02 0.00 0.00 35.03 34.68 2k2b n LYS 72 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2k2b h LEU 73 N -0.64 0.00 -9.92 -0.35 7.12 -1.95 -3.46 115.31 106.10 2k2b h LEU 73 Ca -0.23 0.00 -0.54 0.00 0.13 0.00 0.00 57.88 57.24 2k2b h LEU 73 Cb 1.03 0.00 0.20 0.00 -0.53 0.00 0.00 40.66 41.35 2k2b h LEU 73 CO -0.14 0.50 -0.16 0.00 -0.13 0.00 0.00 178.44 178.51 2k2b n LEU 74 N -3.81 1.87 -4.49 2.25 -0.00 -1.26 -4.92 117.00 106.65 2k2b n LEU 74 Ca -0.01 0.49 -0.34 0.00 -0.00 0.00 0.00 56.01 56.15 2k2b n LEU 74 Cb 0.54 -1.33 0.11 0.00 -0.00 0.00 0.00 43.42 42.73 2k2b n LEU 74 CO 0.40 -2.74 0.13 -0.81 -0.00 0.00 0.00 177.39 174.37 2k2b n PRO 75 N -2.15 -0.01 -3.33 1.47 -0.04 -1.26 -4.95 135.00 124.73 2k2b n PRO 75 Ca 0.10 0.05 -0.46 0.00 -0.04 0.00 0.00 63.50 63.15 2k2b n PRO 75 Cb 0.51 -1.96 -0.04 0.00 -0.04 0.00 0.00 33.50 31.97 2k2b n PRO 75 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2k2b s TYR 76 N -2.19 3.40 0.06 0.54 1.13 -1.26 -4.94 117.35 114.09 2k2b s TYR 76 Ca 0.63 -1.51 0.09 0.00 -1.41 0.00 0.00 57.07 54.87 2k2b s TYR 76 Cb -0.27 -3.79 -0.03 0.00 -1.10 0.00 0.00 41.96 36.77 2k2b s TYR 76 CO 0.61 -1.01 -0.25 0.34 -2.51 0.00 0.00 175.55 172.73 2k2b s ASP 77 N 3.15 3.05 -0.01 -0.18 -1.08 -1.26 -5.08 116.67 115.26 2k2b s ASP 77 Ca 0.07 -0.61 -0.24 0.00 -0.52 0.00 0.00 52.55 51.26 2k2b s ASP 77 Cb -0.24 -0.26 -0.16 0.00 -1.46 0.00 0.00 42.92 40.80 2k2b s ASP 77 CO -0.00 0.22 1.11 0.50 0.52 0.00 0.00 175.17 177.52 2k2b h LYS 78 N 4.62 -0.32 -0.31 4.34 1.63 -1.99 -1.67 116.57 122.87 2k2b h LYS 78 Ca -0.47 0.02 -0.12 0.00 -0.85 0.00 0.00 60.65 59.24 2k2b h LYS 78 Cb 1.15 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.85 2k2b h LYS 78 CO 0.43 0.04 -0.27 0.00 -3.45 0.00 0.00 179.45 176.19 2k2b h ARG 79 N -0.78 0.73 -0.76 1.90 3.08 -1.98 -2.51 114.38 114.06 2k2b h ARG 79 Ca -0.03 -0.37 -0.03 0.00 0.07 0.00 0.00 59.98 59.62 2k2b h ARG 79 Cb 0.51 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 2k2b h ARG 79 CO 0.06 0.99 0.37 -0.07 -1.07 0.00 0.00 179.97 180.24 2k2b h LEU 80 N 0.49 0.99 -0.05 3.04 4.07 -1.91 -2.49 115.31 119.44 2k2b h LEU 80 Ca 0.05 -0.13 0.01 0.00 0.08 0.00 0.00 57.88 57.89 2k2b h LEU 80 Cb 0.83 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.31 2k2b h LEU 80 CO 0.07 0.84 0.01 0.00 -1.08 0.00 0.00 178.44 178.28 2k2b h ALA 81 N 1.19 0.05 0.29 1.53 0.00 -1.19 -0.03 119.26 121.09 2k2b h ALA 81 Ca 0.26 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 2k2b h ALA 81 Cb 0.11 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2k2b h ALA 81 CO -0.03 -0.47 -0.34 2.35 0.00 0.00 0.00 179.25 180.75 2k2b h TRP 82 N 0.03 -0.94 0.29 0.00 2.91 -1.35 -1.14 115.95 115.75 2k2b h TRP 82 Ca 0.02 0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.05 2k2b h TRP 82 Cb 0.02 0.37 -0.03 0.00 -0.51 0.00 0.00 29.16 29.02 2k2b h TRP 82 CO -0.10 -0.44 -0.42 1.25 -1.03 0.00 0.00 178.44 177.71 2k2b h HIS 83 N -0.64 -1.17 0.23 2.65 2.76 -1.43 0.13 115.15 117.68 2k2b h HIS 83 Ca -0.04 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.16 2k2b h HIS 83 Cb 0.57 0.47 -0.04 0.00 1.55 0.00 0.00 27.41 29.96 2k2b h HIS 83 CO -0.23 -0.52 -0.39 0.74 -1.30 0.00 0.00 177.93 176.23 2k2b h PHE 84 N -0.74 -1.08 0.01 5.26 0.04 -1.05 -2.56 116.94 116.82 2k2b h PHE 84 Ca -0.03 0.02 -0.20 0.00 2.80 0.00 0.00 57.97 60.56 2k2b h PHE 84 Cb 0.67 0.44 0.02 0.00 2.20 0.00 0.00 35.95 39.28 2k2b h PHE 84 CO -0.30 -0.51 -0.78 0.87 -0.60 0.00 0.00 178.31 176.99 2k2b h LYS 85 N -0.70 0.52 0.00 1.51 1.57 -1.21 -1.79 116.57 116.47 2k2b h LYS 85 Ca 0.00 -0.57 -0.02 0.00 -1.87 0.00 0.00 60.65 58.20 2k2b h LYS 85 Cb 0.68 0.16 -0.00 0.00 0.08 0.00 0.00 32.23 33.15 2k2b h LYS 85 CO -0.16 1.20 -0.08 1.49 -0.57 0.00 0.00 179.45 181.33 2k2b h GLU 86 N 0.08 0.00 0.00 3.15 4.57 -0.77 0.14 114.58 121.74 2k2b h GLU 86 Ca -0.10 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.02 2k2b h GLU 86 Cb 1.48 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.06 2k2b h GLU 86 CO 0.15 0.08 -0.74 1.19 -1.18 0.00 0.00 179.01 178.51 2k2b n PHE 87 N -3.37 0.92 0.03 0.92 3.72 -0.96 -3.81 117.46 114.90 2k2b n PHE 87 Ca -0.01 0.40 -0.08 0.00 -0.05 0.00 0.00 57.45 57.71 2k2b n PHE 87 Cb 0.24 -0.85 0.09 0.00 -0.94 0.00 0.00 39.48 38.02 2k2b n PHE 87 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2k2b n TYR 89 N -3.94 1.89 -1.94 0.00 9.36 0.47 -3.89 117.16 119.10 2k2b n TYR 89 Ca -0.03 -1.06 -0.31 0.00 3.32 0.00 0.00 57.90 59.83 2k2b n TYR 89 Cb 0.59 -0.54 -0.04 0.00 -0.63 0.00 0.00 39.34 38.72 2k2b n TYR 89 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 2k2b s LYS 90 N -2.94 2.43 0.31 2.98 2.20 -1.18 -4.80 119.74 118.75 2k2b s LYS 90 Ca 0.51 0.31 0.06 0.00 -0.36 0.00 0.00 55.97 56.48 2k2b s LYS 90 Cb 0.41 -4.73 0.51 0.00 -1.51 0.00 0.00 37.83 32.51 2k2b s LYS 90 CO 0.12 -3.24 1.76 1.79 -0.36 0.00 0.00 175.35 175.41 2k2b h THR 91 N 7.21 1.26 -3.37 3.43 1.35 -1.89 -3.40 112.91 117.50 2k2b h THR 91 Ca -0.08 -1.27 -0.76 0.00 -0.55 0.00 0.00 66.41 63.75 2k2b h THR 91 Cb 1.09 1.46 -0.26 0.00 -1.73 0.00 0.00 68.15 68.70 2k2b h THR 91 CO 1.19 0.39 -0.17 -0.44 -0.25 0.00 0.00 175.52 176.23 2k2b s SER 92 N -6.85 6.20 0.49 5.36 0.01 -1.26 -4.97 113.70 112.68 2k2b s SER 92 Ca -0.06 -2.14 -0.14 0.00 1.31 0.00 0.00 55.95 54.92 2k2b s SER 92 Cb 0.14 -2.15 -0.07 0.00 0.21 0.00 0.00 66.02 64.15 2k2b s SER 92 CO 0.77 -0.71 0.93 0.00 0.41 0.00 0.00 173.24 174.63 2k2b s ALA 93 N 1.03 3.15 -1.95 1.44 0.00 -1.26 -3.84 121.76 120.33 2k2b s ALA 93 Ca 0.09 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.09 2k2b s ALA 93 Cb -0.23 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 19.90 2k2b s ALA 93 CO -0.02 -0.21 0.00 0.72 0.00 0.00 0.00 175.76 176.25 2k2b n HIS 94 N -1.61 -0.42 -3.71 0.00 8.25 -1.23 -4.96 115.22 111.54 2k2b n HIS 94 Ca 0.05 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.38 2k2b n HIS 94 Cb 0.54 -3.51 -0.09 0.00 1.12 0.00 0.00 29.99 28.04 2k2b n HIS 94 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2k2b s GLY 95 N -2.45 -0.35 -0.27 -1.41 0.00 -1.25 -4.86 107.32 96.73 2k2b s GLY 95 Ca 0.00 1.34 -0.16 0.00 0.00 0.00 0.00 44.72 45.90 2k2b s GLY 95 CO 0.00 1.17 0.33 1.39 0.00 0.00 0.00 173.10 175.99 2k2b n ILE 96 N 2.89 -5.70 -1.95 0.90 5.41 -1.26 -4.88 119.36 114.77 2k2b n ILE 96 Ca -0.14 0.63 0.00 0.00 1.00 0.00 0.00 62.75 64.24 2k2b n ILE 96 Cb 0.57 -4.49 0.00 0.00 -0.71 0.00 0.00 39.64 35.00 2k2b n ILE 96 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 2k2b n PRO 97 N 0.43 0.84 0.10 0.38 -0.04 -1.26 -5.00 135.00 130.45 2k2b n PRO 97 Ca -0.01 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.42 2k2b n PRO 97 Cb 0.48 0.00 0.21 0.00 -0.04 0.00 0.00 33.50 34.15 2k2b n PRO 97 CO 0.00 0.00 0.00 1.98 -0.04 0.00 0.00 175.50 177.44 2k2b h MET 98 N 0.00 0.21 0.00 0.54 1.85 -1.92 -2.96 114.93 112.65 2k2b h MET 98 Ca 0.00 -0.11 0.00 0.00 -0.61 0.00 0.00 59.70 58.98 2k2b h MET 98 Cb 0.00 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.03 2k2b h MET 98 CO 0.00 0.63 0.05 1.51 -0.40 0.00 0.00 176.91 178.71 2k2b n ILE 99 N -3.98 1.12 0.00 1.77 3.06 -1.26 -4.82 119.36 115.24 2k2b n ILE 99 Ca -0.02 0.70 0.00 0.00 -2.50 0.00 0.00 62.75 60.93 2k2b n ILE 99 Cb 0.51 -1.70 0.00 0.00 0.54 0.00 0.00 39.64 38.99 2k2b n ILE 99 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2k2b n GLY 100 N -1.32 2.82 3.74 4.50 0.00 -1.12 -5.02 105.19 108.79 2k2b n GLY 100 Ca -0.01 -0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 2k2b n GLY 100 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k2b s GLU 101 N 0.00 4.25 0.64 1.61 2.12 -1.26 -4.89 118.70 121.17 2k2b s GLU 101 Ca 0.00 0.28 -0.18 0.00 0.36 0.00 0.00 54.97 55.43 2k2b s GLU 101 Cb 0.00 -3.41 -0.02 0.00 0.26 0.00 0.00 34.13 30.96 2k2b s GLU 101 CO 0.00 0.26 1.09 0.00 -0.54 0.00 0.00 175.26 176.07 2k2b n ALA 102 N 3.41 0.50 -1.44 6.30 0.00 -1.26 -4.32 120.51 123.70 2k2b n ALA 102 Ca -0.10 -0.03 -0.24 0.00 0.00 0.00 0.00 53.44 53.08 2k2b n ALA 102 Cb 0.52 -2.20 -0.11 0.00 0.00 0.00 0.00 19.45 17.67 2k2b n ALA 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2k2b n PRO 103 N -1.51 0.39 -3.31 0.00 -0.04 -1.26 -4.91 135.00 124.36 2k2b n PRO 103 Ca 0.15 -1.71 -0.35 0.00 -0.04 0.00 0.00 63.50 61.54 2k2b n PRO 103 Cb 0.48 -3.60 -0.06 0.00 -0.04 0.00 0.00 33.50 30.28 2k2b n PRO 103 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2k2b s LEU 104 N 12.45 4.34 -0.42 1.53 1.43 -1.26 -5.03 118.68 131.71 2k2b s LEU 104 Ca 0.76 1.14 -0.29 0.00 -1.03 0.00 0.00 54.13 54.71 2k2b s LEU 104 Cb 0.00 -3.34 0.02 0.00 0.03 0.00 0.00 46.19 42.90 2k2b s LEU 104 CO 0.21 0.09 1.27 -1.61 0.23 0.00 0.00 176.35 176.54 2k2b s GLU 105 N -1.98 3.70 0.14 1.70 2.02 -1.26 -5.00 118.70 118.02 2k2b s GLU 105 Ca 0.39 0.84 0.06 0.00 0.02 0.00 0.00 54.97 56.28 2k2b s GLU 105 Cb -0.15 -3.95 -0.04 0.00 0.10 0.00 0.00 34.13 30.09 2k2b s GLU 105 CO 0.19 -1.40 -0.13 -1.01 0.02 0.00 0.00 175.26 172.93 2k2b s HIS 106 N 4.83 1.38 -0.66 1.61 3.76 -1.26 -5.08 115.29 119.87 2k2b s HIS 106 Ca 0.55 -0.61 -0.26 0.00 -0.15 0.00 0.00 55.06 54.59 2k2b s HIS 106 Cb -0.11 -0.71 -0.06 0.00 1.11 0.00 0.00 32.58 32.81 2k2b s HIS 106 CO 0.30 0.15 2.14 -1.58 -0.85 0.00 0.00 174.74 174.89 2k2b s HIS 107 N -2.53 1.42 0.32 1.40 2.46 -1.26 -4.95 115.29 112.15 2k2b s HIS 107 Ca 0.12 1.20 -0.29 0.00 0.47 0.00 0.00 55.06 56.56 2k2b s HIS 107 Cb -0.03 -3.81 -0.11 0.00 -0.13 0.00 0.00 32.58 28.50 2k2b s HIS 107 CO 0.03 -2.14 1.58 -1.01 -2.47 0.00 0.00 174.74 170.73 2k2b s HIS 108 N 11.21 2.68 -2.00 3.88 3.76 -1.26 -4.88 115.29 128.69 2k2b s HIS 108 Ca 0.81 0.86 0.14 0.00 -0.15 0.00 0.00 55.06 56.73 2k2b s HIS 108 Cb -0.13 -4.08 0.86 0.00 1.11 0.00 0.00 32.58 30.34 2k2b s HIS 108 CO 0.16 -3.52 1.48 0.72 -0.85 0.00 0.00 174.74 172.73 2k2b n HIS 109 N 1.70 0.00 -1.69 1.40 8.25 -1.26 -4.95 115.22 118.66 2k2b n HIS 109 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 2k2b n HIS 109 Cb 0.38 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.49 2k2b n HIS 109 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2k2b n HIS 110 N -0.75 -3.25 1.99 4.41 -0.00 -1.26 -5.36 115.22 111.00 2k2b n HIS 110 Ca 0.11 1.95 0.16 0.00 0.46 0.00 0.00 57.72 60.40 2k2b n HIS 110 Cb 0.05 -3.17 0.95 0.00 -0.12 0.00 0.00 29.99 27.70 2k2b n HIS 110 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38