#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kgp s ILE 17 N 0.00 4.99 0.00 1.39 -1.09 0.16 -4.00 121.20 122.65 3kgp s ILE 17 Ca 0.00 1.52 0.00 0.00 -2.23 0.00 0.00 60.65 59.94 3kgp s ILE 17 Cb 0.00 -4.07 0.00 0.00 -1.58 0.00 0.00 42.46 36.81 3kgp s ILE 17 CO 0.00 0.26 0.00 0.61 -1.23 0.00 0.00 174.94 174.58 3kgp n GLY 18 N 2.98 1.07 7.00 6.18 0.00 -1.26 -2.44 105.19 118.72 3kgp n GLY 18 Ca -0.01 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.29 3kgp n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kgp n GLY 19 N 0.00 0.18 3.31 -0.02 0.00 -1.26 -4.90 105.19 102.49 3kgp n GLY 19 Ca 0.00 -0.91 -0.13 0.00 0.00 0.00 0.00 46.02 44.99 3kgp n GLY 19 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kgp s GLU 20 N 0.00 1.40 0.43 1.61 -1.05 -0.23 -5.00 118.70 115.86 3kgp s GLU 20 Ca 0.00 -1.63 -0.02 0.00 -0.15 0.00 0.00 54.97 53.17 3kgp s GLU 20 Cb 0.00 0.33 -0.03 0.00 -0.44 0.00 0.00 34.13 33.99 3kgp s GLU 20 CO 0.00 -0.51 0.69 -0.06 0.95 0.00 0.00 175.26 176.33 3kgp s PHE 21 N -3.94 3.49 0.37 4.83 0.40 -1.26 -1.42 117.98 120.44 3kgp s PHE 21 Ca 0.36 0.57 -0.14 0.00 -0.60 0.00 0.00 56.93 57.12 3kgp s PHE 21 Cb 0.04 -2.17 0.04 0.00 0.51 0.00 0.00 43.02 41.45 3kgp s PHE 21 CO 0.14 -0.16 0.72 -0.08 0.70 0.00 0.00 175.22 176.55 3kgp s THR 22 N -2.57 0.00 0.41 0.64 -1.32 -0.79 -4.81 115.64 107.20 3kgp s THR 22 Ca 0.45 -1.12 0.05 0.00 -1.21 0.00 0.00 61.69 59.86 3kgp s THR 22 Cb -0.10 -2.74 -0.06 0.00 -1.51 0.00 0.00 72.50 68.09 3kgp s THR 22 CO 0.41 0.00 0.03 0.42 -2.21 0.00 0.00 174.62 173.27 3kgp s THR 23 N -2.63 1.58 0.58 5.08 -4.23 -1.26 -4.12 115.64 110.63 3kgp s THR 23 Ca 0.18 -2.00 0.37 0.00 -1.18 0.00 0.00 61.69 59.06 3kgp s THR 23 Cb -0.04 -2.77 0.39 0.00 1.34 0.00 0.00 72.50 71.42 3kgp s THR 23 CO 0.13 0.00 2.28 -0.29 -0.54 0.00 0.00 174.62 176.19 3kgp h ILE 24 N 1.78 0.25 0.00 2.99 6.09 -1.89 -2.41 117.51 124.32 3kgp h ILE 24 Ca -0.43 -0.09 -0.01 0.00 -1.37 0.00 0.00 64.86 62.96 3kgp h ILE 24 Cb 1.26 1.07 -0.00 0.00 0.47 0.00 0.00 36.82 39.62 3kgp h ILE 24 CO 0.76 0.01 -0.06 -0.33 -3.07 0.00 0.00 178.15 175.46 3kgp h GLU 25 N 0.00 0.00 -0.26 2.19 3.07 -1.87 0.94 114.58 118.66 3kgp h GLU 25 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3kgp h GLU 25 Cb 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.98 3kgp h GLU 25 CO 0.00 0.06 0.00 0.09 -1.40 0.00 0.00 179.01 177.76 3kgp n ASN 26 N -3.48 2.11 -2.70 1.42 3.02 -0.91 -4.19 115.26 110.53 3kgp n ASN 26 Ca -0.02 -1.82 -0.07 0.00 -0.03 0.00 0.00 54.58 52.64 3kgp n ASN 26 Cb 0.19 -0.17 0.09 0.00 -0.61 0.00 0.00 39.78 39.28 3kgp n ASN 26 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kgp n GLN 27 N 0.62 0.89 0.00 3.52 1.13 -0.55 -5.01 117.38 117.98 3kgp n GLN 27 Ca 0.16 -1.62 0.00 0.00 -1.94 0.00 0.00 57.00 53.60 3kgp n GLN 27 Cb 0.38 -0.48 0.00 0.00 0.11 0.00 0.00 30.24 30.26 3kgp n GLN 27 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 3kgp n PRO 28 N -0.05 0.00 0.00 -1.09 -0.04 0.22 -0.44 135.00 133.60 3kgp n PRO 28 Ca -0.02 0.33 0.11 0.00 -0.04 0.00 0.00 63.50 63.88 3kgp n PRO 28 Cb 0.75 -1.65 -0.06 0.00 -0.04 0.00 0.00 33.50 32.51 3kgp n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3kgp n TRP 29 N -1.32 0.00 -2.22 0.54 2.14 -1.15 -1.32 117.44 114.11 3kgp n TRP 29 Ca 0.00 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.15 3kgp n TRP 29 Cb 0.15 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.62 3kgp n TRP 29 CO 0.00 0.00 0.00 0.12 2.07 0.00 0.00 177.69 179.88 3kgp s PHE 30 N -2.71 3.28 -0.09 -2.67 2.19 0.41 -1.36 117.98 117.03 3kgp s PHE 30 Ca 0.13 1.07 0.02 0.00 0.33 0.00 0.00 56.93 58.48 3kgp s PHE 30 Cb 0.17 -3.63 -0.02 0.00 -1.31 0.00 0.00 43.02 38.24 3kgp s PHE 30 CO 0.71 -2.10 -0.15 0.00 1.83 0.00 0.00 175.22 175.51 3kgp s ALA 31 N 0.85 2.60 -0.30 11.12 0.00 -0.31 -4.34 121.76 131.38 3kgp s ALA 31 Ca 0.62 -0.94 -0.11 0.00 0.00 0.00 0.00 51.96 51.53 3kgp s ALA 31 Cb -0.36 -1.06 -0.03 0.00 0.00 0.00 0.00 23.12 21.67 3kgp s ALA 31 CO 0.32 0.40 0.19 0.00 0.00 0.00 0.00 175.76 176.67 3kgp s ALA 32 N -0.18 3.44 -0.16 0.00 0.00 -0.84 -0.36 121.76 123.68 3kgp s ALA 32 Ca -0.00 -1.24 -0.07 0.00 0.00 0.00 0.00 51.96 50.65 3kgp s ALA 32 Cb -0.13 -2.49 -0.04 0.00 0.00 0.00 0.00 23.12 20.46 3kgp s ALA 32 CO 0.03 -0.75 0.07 0.42 0.00 0.00 0.00 175.76 175.53 3kgp s ILE 33 N 1.71 4.87 0.26 0.00 1.01 0.36 -1.57 121.20 127.83 3kgp s ILE 33 Ca 0.06 -0.02 0.06 0.00 0.00 0.00 0.00 60.65 60.75 3kgp s ILE 33 Cb -0.17 -3.16 -0.06 0.00 0.01 0.00 0.00 42.46 39.09 3kgp s ILE 33 CO 0.09 0.51 -0.04 -0.31 0.00 0.00 0.00 174.94 175.19 3kgp s TYR 34 N -0.09 1.82 -0.00 3.97 2.02 0.07 -0.20 117.35 124.94 3kgp s TYR 34 Ca 0.07 -0.77 0.06 0.00 -0.37 0.00 0.00 57.07 56.06 3kgp s TYR 34 Cb -0.12 -1.04 -0.02 0.00 -0.40 0.00 0.00 41.96 40.38 3kgp s TYR 34 CO 0.01 0.18 -0.19 0.50 -1.57 0.00 0.00 175.55 174.48 3kgp s ARG 35 N -3.77 1.46 0.02 -0.62 3.52 -0.24 -1.18 118.95 118.15 3kgp s ARG 35 Ca 0.29 -0.73 -0.14 0.00 -0.13 0.00 0.00 55.73 55.02 3kgp s ARG 35 Cb 0.04 -1.45 -0.08 0.00 -1.56 0.00 0.00 34.95 31.91 3kgp s ARG 35 CO 0.11 0.39 1.21 0.00 -0.81 0.00 0.00 175.30 176.20 3kgp h ARG 36 N 5.48 -0.48 -3.42 5.12 3.08 -0.46 -0.04 114.38 123.66 3kgp h ARG 36 Ca -0.39 0.03 -0.78 0.00 0.07 0.00 0.00 59.98 58.92 3kgp h ARG 36 Cb 1.15 0.11 -0.22 0.00 0.08 0.00 0.00 29.97 31.09 3kgp h ARG 36 CO 0.47 -0.32 1.34 -2.39 -1.07 0.00 0.00 179.97 178.00 3kgp n HIS 37 N -3.35 3.11 -3.24 3.04 1.44 -1.26 -4.41 115.22 110.56 3kgp n HIS 37 Ca -0.06 -2.87 -0.41 0.00 -2.01 0.00 0.00 57.72 52.37 3kgp n HIS 37 Cb 0.20 -1.69 -0.08 0.00 0.12 0.00 0.00 29.99 28.54 3kgp n HIS 37 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 3kgp s VAL 38 N -0.85 5.03 0.29 0.61 1.01 -1.25 -5.13 120.40 120.10 3kgp s VAL 38 Ca 0.36 0.52 0.09 0.00 0.00 0.00 0.00 61.98 62.95 3kgp s VAL 38 Cb 0.05 -3.92 -0.06 0.00 0.00 0.00 0.00 36.38 32.45 3kgp s VAL 38 CO 0.04 -0.12 -0.11 0.42 0.00 0.00 0.00 175.10 175.32 3kgp s THR 39 N 2.38 2.01 0.25 3.92 -4.23 -0.03 -4.92 115.64 115.01 3kgp s THR 39 Ca 0.20 -2.22 -0.30 0.00 -1.18 0.00 0.00 61.69 58.19 3kgp s THR 39 Cb -0.15 -2.42 -0.09 0.00 1.34 0.00 0.00 72.50 71.18 3kgp s THR 39 CO 0.12 -0.33 1.10 -0.47 -0.54 0.00 0.00 174.62 174.49 3kgp s TYR 40 N -2.78 3.60 -0.02 3.99 5.04 -1.26 -1.07 117.35 124.85 3kgp s TYR 40 Ca 0.29 1.67 -0.03 0.00 -2.44 0.00 0.00 57.07 56.56 3kgp s TYR 40 Cb 0.01 -3.27 -0.01 0.00 0.35 0.00 0.00 41.96 39.04 3kgp s TYR 40 CO 0.13 -0.54 -0.07 0.28 -1.34 0.00 0.00 175.55 174.02 3kgp n VAL 41 N 1.55 0.51 -3.82 3.14 0.31 0.72 -4.83 118.33 115.91 3kgp n VAL 41 Ca -0.00 0.27 -0.06 0.00 -0.01 0.00 0.00 64.34 64.54 3kgp n VAL 41 Cb 0.45 -1.53 -0.00 0.00 -0.91 0.00 0.00 33.84 31.85 3kgp n VAL 41 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kgp s GLY 43 N -3.02 1.85 0.25 0.00 0.00 -0.61 -0.49 107.32 105.30 3kgp s GLY 43 Ca 0.14 -1.79 -0.08 0.00 0.00 0.00 0.00 44.72 42.98 3kgp s GLY 43 CO 0.07 -1.48 0.48 0.61 0.00 0.00 0.00 173.10 172.78 3kgp n GLY 44 N -2.11 1.49 2.83 0.20 0.00 0.52 -3.54 105.19 104.58 3kgp n GLY 44 Ca 0.11 -1.22 -0.15 0.00 0.00 0.00 0.00 46.02 44.76 3kgp n GLY 44 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kgp s SER 45 N -2.34 0.27 -0.27 1.61 0.01 0.14 -1.17 113.70 111.96 3kgp s SER 45 Ca 0.11 -0.01 -0.26 0.00 1.31 0.00 0.00 55.95 57.10 3kgp s SER 45 Cb -0.03 -0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.08 3kgp s SER 45 CO 0.08 -0.07 0.89 -0.22 0.41 0.00 0.00 173.24 174.34 3kgp s LEU 46 N 0.72 4.06 0.00 2.44 2.96 -0.47 0.93 118.68 129.32 3kgp s LEU 46 Ca -0.07 0.99 0.16 0.00 -0.22 0.00 0.00 54.13 54.99 3kgp s LEU 46 Cb -0.10 -3.28 -0.08 0.00 0.50 0.00 0.00 46.19 43.24 3kgp s LEU 46 CO -0.02 -0.63 0.76 2.30 -1.32 0.00 0.00 176.35 177.44 3kgp n ILE 47 N 5.45 0.00 -3.59 6.68 -5.35 -0.70 -1.12 119.36 120.73 3kgp n ILE 47 Ca 0.07 -0.25 -0.05 0.00 -0.27 0.00 0.00 62.75 62.25 3kgp n ILE 47 Cb 0.47 1.10 -0.02 0.00 -1.74 0.00 0.00 39.64 39.46 3kgp n ILE 47 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3kgp s SER 48 N -2.13 -0.24 0.38 7.28 1.04 -1.21 -4.70 113.70 114.11 3kgp s SER 48 Ca 0.10 -0.09 0.18 0.00 0.48 0.00 0.00 55.95 56.62 3kgp s SER 48 Cb 0.12 0.32 1.14 0.00 0.10 0.00 0.00 66.02 67.70 3kgp s SER 48 CO 0.50 -0.55 1.70 -0.65 0.98 0.00 0.00 173.24 175.22 3kgp h PRO 49 N 2.00 0.32 -0.09 4.02 0.11 -1.95 -2.55 132.00 133.85 3kgp h PRO 49 Ca -0.20 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3kgp h PRO 49 Cb 1.22 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3kgp h PRO 49 CO 0.28 0.21 0.00 0.00 -0.21 0.00 0.00 178.00 178.28 3kgp s TRP 51 N -0.97 1.67 -0.12 0.00 0.52 -0.96 0.40 118.94 119.48 3kgp s TRP 51 Ca 0.16 -0.74 -0.01 0.00 0.02 0.00 0.00 56.10 55.53 3kgp s TRP 51 Cb 0.10 -1.25 -0.02 0.00 -1.15 0.00 0.00 33.47 31.15 3kgp s TRP 51 CO 0.15 -0.41 -0.10 0.08 0.02 0.00 0.00 176.95 176.69 3kgp s VAL 52 N 1.03 3.33 -0.12 4.03 1.01 0.31 -1.73 120.40 128.26 3kgp s VAL 52 Ca -0.07 -0.57 -0.05 0.00 0.00 0.00 0.00 61.98 61.29 3kgp s VAL 52 Cb -0.15 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 3kgp s VAL 52 CO -0.01 0.53 0.05 -0.51 0.00 0.00 0.00 175.10 175.16 3kgp s ILE 53 N 0.14 4.74 0.00 2.22 2.07 0.26 -0.34 121.20 130.30 3kgp s ILE 53 Ca -0.05 -0.08 0.00 0.00 -1.41 0.00 0.00 60.65 59.11 3kgp s ILE 53 Cb -0.15 -3.05 0.00 0.00 0.13 0.00 0.00 42.46 39.39 3kgp s ILE 53 CO 0.04 0.57 0.00 -0.24 -1.91 0.00 0.00 174.94 173.40 3kgp n SER 54 N 2.47 0.00 -4.64 4.50 2.88 0.15 -0.68 113.62 118.30 3kgp n SER 54 Ca -0.18 -0.08 -0.35 0.00 -1.33 0.00 0.00 58.87 56.93 3kgp n SER 54 Cb 0.54 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.90 3kgp n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3kgp s ALA 55 N -1.57 3.27 0.37 -1.46 0.00 -1.26 0.45 121.76 121.56 3kgp s ALA 55 Ca 0.00 -0.79 0.05 0.00 0.00 0.00 0.00 51.96 51.22 3kgp s ALA 55 Cb 0.00 -1.62 0.70 0.00 0.00 0.00 0.00 23.12 22.20 3kgp s ALA 55 CO 0.00 0.41 1.97 1.15 0.00 0.00 0.00 175.76 179.29 3kgp h THR 56 N 4.55 1.16 0.00 0.00 2.02 -1.74 -2.29 112.91 116.60 3kgp h THR 56 Ca -0.43 -0.47 0.00 0.00 0.77 0.00 0.00 66.41 66.28 3kgp h THR 56 Cb 1.19 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 3kgp h THR 56 CO 0.60 0.19 0.00 0.00 0.37 0.00 0.00 175.52 176.68 3kgp n HIS 57 N -4.38 0.54 0.18 3.16 1.44 -1.26 -1.04 115.22 113.85 3kgp n HIS 57 Ca 0.03 0.25 0.05 0.00 -2.01 0.00 0.00 57.72 56.04 3kgp n HIS 57 Cb 0.14 -0.91 0.26 0.00 0.12 0.00 0.00 29.99 29.60 3kgp n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3kgp n PHE 59 N -3.45 0.00 -0.38 0.00 3.72 -0.21 -4.78 117.46 112.36 3kgp n PHE 59 Ca 0.00 0.00 0.37 0.00 -0.05 0.00 0.00 57.45 57.77 3kgp n PHE 59 Cb 0.57 -0.00 0.73 0.00 -0.94 0.00 0.00 39.48 39.84 3kgp n PHE 59 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 176.76 177.68 3kgp h ILE 60 N 0.00 0.35 0.00 4.37 6.09 -1.25 0.10 117.51 127.17 3kgp h ILE 60 Ca 0.00 -0.02 -0.14 0.00 -1.37 0.00 0.00 64.86 63.34 3kgp h ILE 60 Cb 0.00 0.30 -0.02 0.00 0.47 0.00 0.00 36.82 37.57 3kgp h ILE 60 CO 0.00 0.01 -0.80 0.44 -3.07 0.00 0.00 178.15 174.73 3kgp h ASP 60 N 0.05 0.00 -2.20 2.19 3.32 -1.86 -3.38 116.42 114.54 3kgp h ASP 60 Ca 0.63 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 57.10 3kgp h ASP 60 Cb 2.42 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 41.57 3kgp h ASP 60 CO -0.06 0.60 -0.93 -1.22 -1.72 0.00 0.00 179.24 175.91 3kgp n TYR 60 N -3.17 0.67 0.09 4.55 4.02 0.31 -4.97 117.16 118.66 3kgp n TYR 60 Ca -0.01 -3.70 0.06 0.00 -0.01 0.00 0.00 57.90 54.24 3kgp n TYR 60 Cb 0.80 -0.30 0.30 0.00 -0.02 0.00 0.00 39.34 40.12 3kgp n TYR 60 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 3kgp n PRO 60 N 1.61 0.07 -2.10 -0.72 -0.02 -0.98 -4.66 135.00 128.20 3kgp n PRO 60 Ca 0.25 0.56 -0.40 0.00 -2.02 0.00 0.00 63.50 61.89 3kgp n PRO 60 Cb 0.48 -1.75 -0.03 0.00 -0.02 0.00 0.00 33.50 32.18 3kgp n PRO 60 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3kgp s LYS 61 N -3.27 2.98 0.59 -0.52 2.20 -1.26 -4.86 119.74 115.61 3kgp s LYS 61 Ca -0.01 0.83 0.29 0.00 -0.36 0.00 0.00 55.97 56.72 3kgp s LYS 61 Cb 0.03 -4.27 1.58 0.00 -1.51 0.00 0.00 37.83 33.66 3kgp s LYS 61 CO 0.10 -2.30 2.01 1.57 -0.36 0.00 0.00 175.35 176.37 3kgp h LYS 62 N 13.53 0.00 0.00 4.03 2.10 -1.89 -2.34 116.57 132.00 3kgp h LYS 62 Ca -0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 3kgp h LYS 62 Cb 1.15 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 3kgp h LYS 62 CO 1.15 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 178.99 3kgp n GLU 62 N -3.72 0.18 0.00 0.07 -0.58 -1.26 -2.93 120.64 112.40 3kgp n GLU 62 Ca 0.04 0.48 0.11 0.00 -0.42 0.00 0.00 57.16 57.38 3kgp n GLU 62 Cb 0.47 -1.90 0.13 0.00 -0.57 0.00 0.00 31.44 29.58 3kgp n GLU 62 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3kgp n ASP 63 N -2.24 0.74 -4.92 1.62 8.00 -0.88 -4.96 116.55 113.90 3kgp n ASP 63 Ca 0.01 -0.57 -0.28 0.00 0.71 0.00 0.00 54.79 54.67 3kgp n ASP 63 Cb 0.18 0.49 -0.03 0.00 -0.02 0.00 0.00 41.12 41.74 3kgp n ASP 63 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3kgp s TYR 64 N -2.96 3.48 -0.02 1.24 1.51 -1.15 0.31 117.35 119.77 3kgp s TYR 64 Ca 0.11 0.39 0.01 0.00 -1.01 0.00 0.00 57.07 56.58 3kgp s TYR 64 Cb 0.17 -1.89 0.01 0.00 -0.11 0.00 0.00 41.96 40.13 3kgp s TYR 64 CO 0.74 0.35 -0.05 0.42 -1.11 0.00 0.00 175.55 175.90 3kgp s ILE 65 N -1.90 0.44 -0.04 2.71 1.01 -0.33 -4.13 121.20 118.96 3kgp s ILE 65 Ca 0.39 -0.17 0.07 0.00 0.00 0.00 0.00 60.65 60.94 3kgp s ILE 65 Cb -0.11 -0.41 -0.01 0.00 0.01 0.00 0.00 42.46 41.93 3kgp s ILE 65 CO 0.29 0.15 -0.24 -0.69 0.00 0.00 0.00 174.94 174.46 3kgp s VAL 66 N 0.26 1.91 0.06 2.92 1.01 0.89 -0.75 120.40 126.71 3kgp s VAL 66 Ca -0.03 -1.01 0.10 0.00 0.00 0.00 0.00 61.98 61.03 3kgp s VAL 66 Cb -0.07 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 3kgp s VAL 66 CO -0.00 0.54 -0.26 -0.31 0.00 0.00 0.00 175.10 175.06 3kgp s TYR 67 N -0.36 2.30 -0.02 5.22 2.02 -0.61 0.59 117.35 126.48 3kgp s TYR 67 Ca 0.03 -0.41 0.04 0.00 -0.37 0.00 0.00 57.07 56.37 3kgp s TYR 67 Cb -0.11 -1.35 -0.01 0.00 -0.40 0.00 0.00 41.96 40.09 3kgp s TYR 67 CO 0.01 0.16 -0.14 -0.51 -1.57 0.00 0.00 175.55 173.50 3kgp s LEU 68 N -1.38 1.95 -0.27 -1.29 1.43 -0.67 -1.98 118.68 116.47 3kgp s LEU 68 Ca 0.12 -0.28 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 3kgp s LEU 68 Cb -0.10 -0.78 0.00 0.00 0.03 0.00 0.00 46.19 45.34 3kgp s LEU 68 CO 0.03 0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.37 3kgp n GLY 69 N 2.94 0.40 3.41 -3.19 0.00 -1.22 -1.18 105.19 106.36 3kgp n GLY 69 Ca -0.16 -0.85 -0.34 0.00 0.00 0.00 0.00 46.02 44.67 3kgp n GLY 69 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kgp s ARG 70 N -3.34 3.54 -0.01 1.61 3.52 -1.26 -4.16 118.95 118.84 3kgp s ARG 70 Ca 0.00 -0.57 0.19 0.00 -0.13 0.00 0.00 55.73 55.22 3kgp s ARG 70 Cb 0.00 -2.96 -0.25 0.00 -1.56 0.00 0.00 34.95 30.18 3kgp s ARG 70 CO 0.00 0.04 0.66 0.43 -0.81 0.00 0.00 175.30 175.62 3kgp n SER 71 N 4.13 0.72 -4.42 -2.12 7.64 -1.26 -4.70 113.62 113.61 3kgp n SER 71 Ca -0.18 -0.56 -0.29 0.00 1.01 0.00 0.00 58.87 58.85 3kgp n SER 71 Cb 0.52 1.37 -0.12 0.00 -1.01 0.00 0.00 64.21 64.97 3kgp n SER 71 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3kgp s ARG 72 N -3.05 1.52 0.11 1.43 0.52 -1.26 -1.22 118.95 117.01 3kgp s ARG 72 Ca 0.01 -1.36 -0.05 0.00 -0.52 0.00 0.00 55.73 53.82 3kgp s ARG 72 Cb 0.14 -1.94 -0.14 0.00 0.52 0.00 0.00 34.95 33.53 3kgp s ARG 72 CO 0.81 0.44 1.26 1.25 0.02 0.00 0.00 175.30 179.08 3kgp h LEU 73 N 3.66 0.53 -2.86 2.53 6.46 -1.09 -3.38 115.31 121.17 3kgp h LEU 73 Ca -0.50 -0.46 -0.03 0.00 -0.12 0.00 0.00 57.88 56.77 3kgp h LEU 73 Cb 1.18 -0.17 -0.07 0.00 -0.73 0.00 0.00 40.66 40.87 3kgp h LEU 73 CO 0.43 1.27 -0.45 0.59 -0.62 0.00 0.00 178.44 179.66 3kgp n ASN 74 N -3.71 1.53 -3.88 1.25 3.02 -1.26 -5.01 115.26 107.20 3kgp n ASN 74 Ca -0.07 -3.05 -0.15 0.00 -0.03 0.00 0.00 54.58 51.28 3kgp n ASN 74 Cb 0.88 -0.41 -0.15 0.00 -0.61 0.00 0.00 39.78 39.49 3kgp n ASN 74 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3kgp s SER 75 N -2.59 0.33 -0.51 6.41 0.01 -1.26 -5.11 113.70 110.98 3kgp s SER 75 Ca 0.30 -0.04 -0.28 0.00 1.31 0.00 0.00 55.95 57.24 3kgp s SER 75 Cb 0.30 -0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.43 3kgp s SER 75 CO -0.05 -0.02 1.51 0.20 0.41 0.00 0.00 173.24 175.30 3kgp s ASN 76 N 0.33 6.04 0.16 2.44 0.01 -1.26 -4.48 114.94 118.18 3kgp s ASN 76 Ca -0.03 0.52 -0.31 0.00 -0.71 0.00 0.00 52.86 52.33 3kgp s ASN 76 Cb -0.06 -2.54 -0.09 0.00 0.41 0.00 0.00 41.25 38.97 3kgp s ASN 76 CO -0.01 -1.73 1.48 -0.89 -1.51 0.00 0.00 177.10 174.44 3kgp s THR 77 N 6.38 2.87 0.12 1.60 2.01 -1.26 -4.92 115.64 122.45 3kgp s THR 77 Ca 0.59 0.64 -0.34 0.00 0.31 0.00 0.00 61.69 62.89 3kgp s THR 77 Cb -0.13 -3.41 -0.14 0.00 0.01 0.00 0.00 72.50 68.83 3kgp s THR 77 CO 0.27 0.06 1.58 1.67 -0.69 0.00 0.00 174.62 177.51 3kgp n GLN 78 N 3.67 2.03 -0.57 4.92 7.27 -1.26 -1.93 117.38 131.50 3kgp n GLN 78 Ca 0.12 0.73 0.00 0.00 0.07 0.00 0.00 57.00 57.92 3kgp n GLN 78 Cb 0.40 -2.49 0.00 0.00 2.41 0.00 0.00 30.24 30.56 3kgp n GLN 78 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3kgp n GLY 79 N 3.41 0.73 3.82 1.69 0.00 -1.26 -4.99 105.19 108.59 3kgp n GLY 79 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3kgp n GLY 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kgp s GLU 80 N -0.43 4.13 -0.06 1.61 -1.05 -0.81 -4.85 118.70 117.24 3kgp s GLU 80 Ca 0.00 1.10 0.03 0.00 -0.15 0.00 0.00 54.97 55.95 3kgp s GLU 80 Cb 0.00 -2.16 -0.03 0.00 -0.44 0.00 0.00 34.13 31.50 3kgp s GLU 80 CO 0.00 -0.12 -0.13 -1.64 0.95 0.00 0.00 175.26 174.32 3kgp s MET 81 N -3.39 2.65 -0.14 -4.83 -1.94 -0.32 -4.95 119.30 106.38 3kgp s MET 81 Ca 0.62 -0.66 -0.03 0.00 -1.71 0.00 0.00 55.69 53.90 3kgp s MET 81 Cb -0.10 -2.45 -0.03 0.00 2.01 0.00 0.00 34.83 34.26 3kgp s MET 81 CO 0.18 0.59 -0.02 0.21 -0.01 0.00 0.00 175.02 175.96 3kgp s LYS 82 N -0.62 3.51 0.03 2.03 2.20 -1.26 -1.67 119.74 123.96 3kgp s LYS 82 Ca 0.09 -0.49 0.02 0.00 -0.36 0.00 0.00 55.97 55.24 3kgp s LYS 82 Cb -0.11 -2.89 -0.02 0.00 -1.51 0.00 0.00 37.83 33.29 3kgp s LYS 82 CO 0.01 0.36 -0.08 -0.06 -0.36 0.00 0.00 175.35 175.22 3kgp s PHE 83 N 0.05 0.69 0.42 4.03 0.08 0.20 -4.50 117.98 118.95 3kgp s PHE 83 Ca 0.01 -0.39 0.00 0.00 0.12 0.00 0.00 56.93 56.67 3kgp s PHE 83 Cb -0.13 -0.42 -0.01 0.00 -0.57 0.00 0.00 43.02 41.89 3kgp s PHE 83 CO 0.02 -0.05 0.64 -1.21 -0.10 0.00 0.00 175.22 174.52 3kgp s GLU 84 N -1.20 3.20 -0.60 0.44 2.02 0.25 -0.08 118.70 122.73 3kgp s GLU 84 Ca -0.06 -0.43 -0.17 0.00 0.02 0.00 0.00 54.97 54.33 3kgp s GLU 84 Cb -0.08 -2.58 0.12 0.00 0.10 0.00 0.00 34.13 31.69 3kgp s GLU 84 CO 0.00 -0.15 0.64 0.08 0.02 0.00 0.00 175.26 175.85 3kgp s VAL 85 N -2.49 5.04 0.51 2.63 1.01 -1.26 -2.31 120.40 123.54 3kgp s VAL 85 Ca 0.46 -1.34 0.30 0.00 0.00 0.00 0.00 61.98 61.40 3kgp s VAL 85 Cb -0.10 -4.43 0.34 0.00 0.00 0.00 0.00 36.38 32.18 3kgp s VAL 85 CO 0.38 -1.02 2.18 -0.08 0.00 0.00 0.00 175.10 176.56 3kgp h GLU 86 N 8.95 0.00 -1.98 2.72 4.81 -1.46 -3.43 114.58 124.19 3kgp h GLU 86 Ca -0.25 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.96 3kgp h GLU 86 Cb 1.09 0.00 -0.21 0.00 0.63 0.00 0.00 28.75 30.25 3kgp h GLU 86 CO 1.05 0.05 0.12 -0.80 -0.73 0.00 0.00 179.01 178.70 3kgp s ASN 87 N -6.07 -0.78 -0.23 1.04 -0.87 -1.22 -4.98 114.94 101.84 3kgp s ASN 87 Ca -0.04 1.44 0.02 0.00 -1.57 0.00 0.00 52.86 52.71 3kgp s ASN 87 Cb 0.14 1.43 0.05 0.00 -0.02 0.00 0.00 41.25 42.84 3kgp s ASN 87 CO 0.55 -0.24 -0.13 -0.22 -2.57 0.00 0.00 177.10 174.49 3kgp s LEU 88 N 0.67 2.86 -0.27 0.60 2.96 -1.26 -1.47 118.68 122.76 3kgp s LEU 88 Ca -0.02 -1.11 -0.04 0.00 -0.22 0.00 0.00 54.13 52.74 3kgp s LEU 88 Cb -0.05 -1.46 0.02 0.00 0.50 0.00 0.00 46.19 45.20 3kgp s LEU 88 CO -0.04 -0.14 0.00 -0.63 -1.32 0.00 0.00 176.35 174.22 3kgp s ILE 89 N 1.22 3.35 0.08 6.68 1.01 0.45 -4.98 121.20 129.00 3kgp s ILE 89 Ca -0.04 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 59.72 3kgp s ILE 89 Cb -0.17 -2.72 -0.04 0.00 0.01 0.00 0.00 42.46 39.53 3kgp s ILE 89 CO -0.08 0.13 0.19 -0.76 0.00 0.00 0.00 174.94 174.42 3kgp s LEU 90 N 1.40 4.23 -0.19 2.97 1.43 -1.26 -0.72 118.68 126.53 3kgp s LEU 90 Ca 0.01 0.19 -0.29 0.00 -1.03 0.00 0.00 54.13 53.01 3kgp s LEU 90 Cb -0.17 -2.84 -0.02 0.00 0.03 0.00 0.00 46.19 43.19 3kgp s LEU 90 CO -0.01 0.15 1.43 -2.28 0.23 0.00 0.00 176.35 175.87 3kgp s HIS 91 N -1.52 2.47 0.43 0.29 5.65 -1.11 -4.90 115.29 116.61 3kgp s HIS 91 Ca 0.34 0.72 0.23 0.00 0.25 0.00 0.00 55.06 56.60 3kgp s HIS 91 Cb -0.13 -3.78 1.23 0.00 -1.18 0.00 0.00 32.58 28.72 3kgp s HIS 91 CO 0.27 -2.40 1.76 1.57 -0.65 0.00 0.00 174.74 175.29 3kgp h LYS 92 N 9.31 0.27 -0.82 2.88 2.10 -1.92 -0.97 116.57 127.42 3kgp h LYS 92 Ca -0.30 -0.02 -0.12 0.00 -2.00 0.00 0.00 60.65 58.21 3kgp h LYS 92 Cb 1.13 -0.06 -0.07 0.00 -0.90 0.00 0.00 32.23 32.32 3kgp h LYS 92 CO 0.99 0.18 0.16 -0.25 -2.00 0.00 0.00 179.45 178.52 3kgp n ASP 93 N -4.55 3.95 -4.75 7.07 8.00 -1.26 -4.97 116.55 120.04 3kgp n ASP 93 Ca 0.27 -2.79 -0.35 0.00 0.71 0.00 0.00 54.79 52.63 3kgp n ASP 93 Cb 1.01 -0.66 0.04 0.00 -0.02 0.00 0.00 41.12 41.49 3kgp n ASP 93 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3kgp s TYR 94 N -2.19 2.37 -0.28 1.24 5.04 -0.37 -4.63 117.35 118.52 3kgp s TYR 94 Ca 0.37 1.53 -0.22 0.00 -2.44 0.00 0.00 57.07 56.31 3kgp s TYR 94 Cb 0.29 -3.45 0.12 0.00 0.35 0.00 0.00 41.96 39.27 3kgp s TYR 94 CO 0.09 -2.22 0.97 -1.54 -1.34 0.00 0.00 175.55 171.52 3kgp s SER 95 N -1.74 -0.52 0.38 4.32 1.04 -1.06 -4.97 113.70 111.14 3kgp s SER 95 Ca 0.76 0.95 0.08 0.00 0.48 0.00 0.00 55.95 58.22 3kgp s SER 95 Cb -0.29 1.04 -0.05 0.00 0.10 0.00 0.00 66.02 66.82 3kgp s SER 95 CO 0.35 -0.16 0.13 0.00 0.98 0.00 0.00 173.24 174.54 3kgp s ALA 96 N 0.62 3.46 -0.01 5.32 0.00 -1.26 0.11 121.76 130.00 3kgp s ALA 96 Ca -0.01 -2.03 -0.00 0.00 0.00 0.00 0.00 51.96 49.92 3kgp s ALA 96 Cb -0.05 -0.43 0.00 0.00 0.00 0.00 0.00 23.12 22.64 3kgp s ALA 96 CO -0.09 -0.07 0.01 -0.25 0.00 0.00 0.00 175.76 175.36 3kgp n ASP 97 N -1.14 -2.08 -2.60 0.00 9.92 -1.26 -4.91 116.55 114.49 3kgp n ASP 97 Ca -0.02 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.21 3kgp n ASP 97 Cb 0.63 -1.06 0.00 0.00 -0.64 0.00 0.00 41.12 40.06 3kgp n ASP 97 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3kgp n ALA 98 N -0.85 -2.58 -1.77 2.24 0.00 -1.26 -5.08 120.51 111.21 3kgp n ALA 98 Ca 0.00 0.39 -0.39 0.00 0.00 0.00 0.00 53.44 53.43 3kgp n ALA 98 Cb 0.35 -1.87 0.01 0.00 0.00 0.00 0.00 19.45 17.93 3kgp n ALA 98 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3kgp s HIS 99 N -2.65 2.61 -0.03 0.00 0.09 -1.26 -5.02 115.29 109.02 3kgp s HIS 99 Ca 0.08 1.34 0.04 0.00 -0.00 0.00 0.00 55.06 56.52 3kgp s HIS 99 Cb -0.02 -3.79 -0.03 0.00 -0.00 0.00 0.00 32.58 28.74 3kgp s HIS 99 CO 0.57 -2.53 -0.14 -1.01 -0.00 0.00 0.00 174.74 171.63 3kgp s HIS 100 N -1.25 2.71 -1.52 1.40 3.76 0.30 -4.61 115.29 116.08 3kgp s HIS 100 Ca 0.60 -0.15 -0.13 0.00 -0.15 0.00 0.00 55.06 55.24 3kgp s HIS 100 Cb -0.41 -1.61 0.08 0.00 1.11 0.00 0.00 32.58 31.76 3kgp s HIS 100 CO 0.52 0.22 0.94 0.09 -0.85 0.00 0.00 174.74 175.66 3kgp n ASN 101 N 2.14 -4.33 -4.53 1.40 3.02 -1.26 -2.57 115.26 109.12 3kgp n ASN 101 Ca -0.17 -0.80 -0.40 0.00 -0.03 0.00 0.00 54.58 53.19 3kgp n ASN 101 Cb 0.52 -3.82 -0.02 0.00 -0.61 0.00 0.00 39.78 35.86 3kgp n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3kgp n ASP 102 N -2.85 4.42 -3.77 6.41 2.03 -1.26 -4.53 116.55 117.01 3kgp n ASP 102 Ca 0.01 -2.86 -0.13 0.00 0.52 0.00 0.00 54.79 52.33 3kgp n ASP 102 Cb 0.54 -1.73 -0.11 0.00 -0.72 0.00 0.00 41.12 39.09 3kgp n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3kgp s ILE 103 N 5.79 -0.00 0.01 5.18 2.07 -1.26 -4.26 121.20 128.73 3kgp s ILE 103 Ca 0.57 0.01 -0.07 0.00 -1.41 0.00 0.00 60.65 59.74 3kgp s ILE 103 Cb 0.04 -0.43 0.00 0.00 0.13 0.00 0.00 42.46 42.20 3kgp s ILE 103 CO 0.09 0.00 0.14 0.00 -1.91 0.00 0.00 174.94 173.26 3kgp s ALA 104 N 0.23 -0.33 -0.09 1.50 0.00 0.17 -2.73 121.76 120.51 3kgp s ALA 104 Ca -0.01 -0.15 0.04 0.00 0.00 0.00 0.00 51.96 51.85 3kgp s ALA 104 Cb -0.03 0.12 -0.00 0.00 0.00 0.00 0.00 23.12 23.22 3kgp s ALA 104 CO -0.00 -0.22 -0.24 -0.51 0.00 0.00 0.00 175.76 174.79 3kgp s LEU 105 N -1.44 2.07 -0.18 0.00 1.43 0.10 0.33 118.68 120.99 3kgp s LEU 105 Ca -0.14 -0.54 0.01 0.00 -1.03 0.00 0.00 54.13 52.42 3kgp s LEU 105 Cb -0.07 -1.38 0.02 0.00 0.03 0.00 0.00 46.19 44.78 3kgp s LEU 105 CO 0.01 0.17 -0.19 -0.76 0.23 0.00 0.00 176.35 175.81 3kgp s LEU 106 N 0.29 2.18 -0.26 1.79 1.02 0.54 -0.41 118.68 123.83 3kgp s LEU 106 Ca -0.17 -0.63 -0.24 0.00 0.02 0.00 0.00 54.13 53.11 3kgp s LEU 106 Cb -0.17 -1.50 -0.01 0.00 0.02 0.00 0.00 46.19 44.53 3kgp s LEU 106 CO 0.08 0.00 0.79 -0.75 0.02 0.00 0.00 176.35 176.50 3kgp s LYS 107 N 1.28 4.13 0.05 1.70 2.20 -0.54 -0.53 119.74 128.02 3kgp s LYS 107 Ca 0.04 0.82 -0.08 0.00 -0.36 0.00 0.00 55.97 56.39 3kgp s LYS 107 Cb -0.13 -3.66 -0.05 0.00 -1.51 0.00 0.00 37.83 32.47 3kgp s LYS 107 CO -0.12 -0.53 0.34 0.96 -0.36 0.00 0.00 175.35 175.64 3kgp s ILE 108 N 2.82 5.19 -0.22 5.43 -4.36 0.16 -1.19 121.20 129.04 3kgp s ILE 108 Ca 0.33 0.31 -0.13 0.00 -0.26 0.00 0.00 60.65 60.90 3kgp s ILE 108 Cb -0.15 -3.61 0.07 0.00 1.25 0.00 0.00 42.46 40.02 3kgp s ILE 108 CO 0.08 0.32 0.53 -0.60 0.24 0.00 0.00 174.94 175.51 3kgp s ARG 109 N -1.86 0.54 0.88 0.37 3.52 -0.98 -4.52 118.95 116.90 3kgp s ARG 109 Ca 0.31 0.96 -0.12 0.00 -0.13 0.00 0.00 55.73 56.74 3kgp s ARG 109 Cb -0.14 0.07 0.16 0.00 -1.56 0.00 0.00 34.95 33.49 3kgp s ARG 109 CO 0.17 -0.15 1.23 -1.54 -0.81 0.00 0.00 175.30 174.20 3kgp s SER 110 N 1.39 3.64 0.44 -2.12 1.04 0.71 -0.58 113.70 118.23 3kgp s SER 110 Ca -0.09 0.26 0.11 0.00 0.48 0.00 0.00 55.95 56.72 3kgp s SER 110 Cb -0.07 -0.47 0.97 0.00 0.10 0.00 0.00 66.02 66.55 3kgp s SER 110 CO -0.14 -2.39 2.03 0.11 0.98 0.00 0.00 173.24 173.82 3kgp h LYS 110 N -1.30 0.22 -0.19 4.02 1.57 -1.89 0.24 116.57 119.23 3kgp h LYS 110 Ca -0.43 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 3kgp h LYS 110 Cb 1.26 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.53 3kgp h LYS 110 CO 0.44 0.24 0.00 0.39 -0.57 0.00 0.00 179.45 179.95 3kgp n GLU 110 N -4.41 1.03 -1.53 3.15 4.71 -1.26 -4.85 120.64 117.48 3kgp n GLU 110 Ca -0.01 -0.04 -0.16 0.00 -0.01 0.00 0.00 57.16 56.94 3kgp n GLU 110 Cb 0.16 -1.10 -0.06 0.00 -1.01 0.00 0.00 31.44 29.43 3kgp n GLU 110 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3kgp n GLY 110 N 0.42 1.49 3.81 0.62 0.00 0.83 -5.00 105.19 107.36 3kgp n GLY 110 Ca 0.00 -0.25 -0.25 0.00 0.00 0.00 0.00 46.02 45.52 3kgp n GLY 110 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kgp s ARG 110 N -3.47 2.92 0.00 1.61 0.52 -1.26 -4.73 118.95 114.55 3kgp s ARG 110 Ca 0.00 -0.90 0.00 0.00 -0.52 0.00 0.00 55.73 54.31 3kgp s ARG 110 Cb 0.00 -2.64 0.00 0.00 0.52 0.00 0.00 34.95 32.83 3kgp s ARG 110 CO 0.00 0.47 0.00 0.00 0.02 0.00 0.00 175.30 175.79 3kgp s ALA 112 N -3.66 3.83 -0.24 0.00 0.00 -0.50 -4.76 121.76 116.43 3kgp s ALA 112 Ca 0.00 -0.54 -0.01 0.00 0.00 0.00 0.00 51.96 51.41 3kgp s ALA 112 Cb 0.00 -2.10 0.03 0.00 0.00 0.00 0.00 23.12 21.05 3kgp s ALA 112 CO 0.00 0.63 -0.09 -0.65 0.00 0.00 0.00 175.76 175.65 3kgp s GLN 113 N -1.63 2.78 0.41 0.00 -0.21 -1.26 -4.74 119.66 115.01 3kgp s GLN 113 Ca 0.26 -1.00 -0.24 0.00 0.02 0.00 0.00 55.36 54.40 3kgp s GLN 113 Cb -0.13 -2.91 -0.12 0.00 1.00 0.00 0.00 33.01 30.85 3kgp s GLN 113 CO 0.15 -0.39 0.78 -2.30 -2.12 0.00 0.00 175.29 171.41 3kgp n PRO 114 N 4.63 0.93 -1.28 2.91 -0.02 -1.26 -4.86 135.00 136.05 3kgp n PRO 114 Ca -0.17 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 3kgp n PRO 114 Cb 0.47 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 3kgp n PRO 114 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3kgp n SER 115 N 0.90 0.00 0.19 2.55 3.41 -0.10 -4.93 113.62 115.64 3kgp n SER 115 Ca 0.11 -0.94 0.14 0.00 -0.26 0.00 0.00 58.87 57.91 3kgp n SER 115 Cb 0.39 0.00 0.54 0.00 -0.26 0.00 0.00 64.21 64.87 3kgp n SER 115 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3kgp h ARG 116 N 0.00 0.00 -0.08 4.33 2.43 -1.99 -2.99 114.38 116.07 3kgp h ARG 116 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3kgp h ARG 116 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3kgp h ARG 116 CO 0.00 0.00 0.00 0.25 -1.51 0.00 0.00 179.97 178.71 3kgp n THR 117 N -2.62 0.34 -3.52 0.20 -2.24 -1.26 -4.64 114.28 100.54 3kgp n THR 117 Ca 0.02 -0.67 -0.22 0.00 -2.27 0.00 0.00 64.05 60.91 3kgp n THR 117 Cb 0.30 0.93 -0.14 0.00 -2.10 0.00 0.00 70.33 69.32 3kgp n THR 117 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3kgp s ILE 118 N -0.74 -0.22 0.11 2.28 1.01 -1.13 -3.38 121.20 119.13 3kgp s ILE 118 Ca 0.11 -0.33 -0.00 0.00 0.00 0.00 0.00 60.65 60.42 3kgp s ILE 118 Cb 0.07 -0.77 -0.04 0.00 0.01 0.00 0.00 42.46 41.73 3kgp s ILE 118 CO 0.10 -0.38 0.01 -1.10 0.00 0.00 0.00 174.94 173.56 3kgp s GLN 119 N 2.24 0.86 0.37 2.79 -1.52 -0.44 -0.92 119.66 123.04 3kgp s GLN 119 Ca 0.07 -1.38 0.02 0.00 -1.95 0.00 0.00 55.36 52.11 3kgp s GLN 119 Cb -0.16 0.09 -0.02 0.00 -0.22 0.00 0.00 33.01 32.71 3kgp s GLN 119 CO -0.20 -0.17 0.56 0.95 -0.25 0.00 0.00 175.29 176.18 3kgp s THR 120 N -3.89 4.45 -0.06 -0.19 -4.23 -1.26 -2.91 115.64 107.54 3kgp s THR 120 Ca 0.18 -0.66 0.05 0.00 -1.18 0.00 0.00 61.69 60.08 3kgp s THR 120 Cb 0.07 -3.61 -0.02 0.00 1.34 0.00 0.00 72.50 70.29 3kgp s THR 120 CO -0.02 -0.35 -0.21 -0.51 -0.54 0.00 0.00 174.62 172.99 3kgp s ILE 121 N -2.34 2.44 0.43 2.99 1.10 -0.27 -4.86 121.20 120.69 3kgp s ILE 121 Ca 0.44 -0.93 -0.23 0.00 -0.51 0.00 0.00 60.65 59.42 3kgp s ILE 121 Cb -0.10 -1.92 -0.08 0.00 0.15 0.00 0.00 42.46 40.51 3kgp s ILE 121 CO 0.35 0.57 1.09 0.00 -2.11 0.00 0.00 174.94 174.84 3kgp s ALA 122 N -0.28 3.01 0.50 1.50 0.00 -1.25 -4.51 121.76 120.72 3kgp s ALA 122 Ca 0.01 0.78 -0.04 0.00 0.00 0.00 0.00 51.96 52.71 3kgp s ALA 122 Cb -0.13 -3.31 -0.02 0.00 0.00 0.00 0.00 23.12 19.66 3kgp s ALA 122 CO 0.03 -0.40 0.78 -0.51 0.00 0.00 0.00 175.76 175.65 3kgp s LEU 123 N -2.90 3.54 0.85 0.00 1.43 -1.26 0.30 118.68 120.63 3kgp s LEU 123 Ca 0.61 0.70 -0.12 0.00 -1.03 0.00 0.00 54.13 54.29 3kgp s LEU 123 Cb -0.24 -3.59 0.10 0.00 0.03 0.00 0.00 46.19 42.49 3kgp s LEU 123 CO 0.29 -0.73 1.15 -2.84 0.23 0.00 0.00 176.35 174.45 3kgp s PRO 124 N -4.75 1.67 0.30 1.29 0.02 -1.26 -4.75 135.00 127.52 3kgp s PRO 124 Ca 0.49 0.25 -0.13 0.00 0.02 0.00 0.00 61.00 61.63 3kgp s PRO 124 Cb -0.10 -1.90 -0.08 0.00 0.02 0.00 0.00 34.50 32.43 3kgp s PRO 124 CO 0.43 -1.83 0.69 -1.12 -0.33 0.00 0.00 177.00 174.84 3kgp s SER 125 N -4.27 6.72 0.07 2.53 0.01 -1.26 -4.91 113.70 112.59 3kgp s SER 125 Ca 0.62 1.18 -0.37 0.00 1.31 0.00 0.00 55.95 58.69 3kgp s SER 125 Cb -0.13 -2.33 -0.17 0.00 0.21 0.00 0.00 66.02 63.60 3kgp s SER 125 CO 0.51 -0.18 1.27 1.15 0.41 0.00 0.00 173.24 176.40 3kgp n MET 126 N -0.36 0.90 -2.28 12.44 0.00 -1.26 -1.57 117.12 124.99 3kgp n MET 126 Ca 0.03 0.32 -0.09 0.00 0.00 0.00 0.00 57.70 57.96 3kgp n MET 126 Cb 0.53 -1.92 -0.01 0.00 0.00 0.00 0.00 33.22 31.82 3kgp n MET 126 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 3kgp n TYR 127 N 2.23 -1.41 -3.65 3.17 4.02 -0.77 -4.90 117.16 115.85 3kgp n TYR 127 Ca 0.19 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.69 3kgp n TYR 127 Cb 0.17 -2.29 -0.09 0.00 -0.02 0.00 0.00 39.34 37.11 3kgp n TYR 127 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 3kgp s ASN 128 N -1.99 5.51 0.11 7.72 2.47 -0.61 -5.07 114.94 123.09 3kgp s ASN 128 Ca 0.00 -2.21 0.10 0.00 0.42 0.00 0.00 52.86 51.17 3kgp s ASN 128 Cb 0.00 -1.93 -0.04 0.00 -1.45 0.00 0.00 41.25 37.84 3kgp s ASN 128 CO 0.00 -0.57 -0.24 -1.81 -3.72 0.00 0.00 177.10 170.76 3kgp s ASP 129 N 1.92 2.96 0.89 -4.21 1.01 -1.26 -4.52 116.67 113.46 3kgp s ASP 129 Ca 0.10 -0.71 -0.11 0.00 0.71 0.00 0.00 52.55 52.54 3kgp s ASP 129 Cb -0.23 -0.19 0.13 0.00 1.01 0.00 0.00 42.92 43.64 3kgp s ASP 129 CO -0.03 0.13 1.15 -2.84 0.21 0.00 0.00 175.17 173.79 3kgp s PRO 130 N -1.94 1.20 0.86 8.23 0.02 -1.26 -4.97 135.00 137.15 3kgp s PRO 130 Ca 0.11 1.55 -0.11 0.00 0.02 0.00 0.00 61.00 62.56 3kgp s PRO 130 Cb -0.10 -1.75 0.11 0.00 0.02 0.00 0.00 34.50 32.78 3kgp s PRO 130 CO 0.05 -2.50 1.10 -1.14 -0.33 0.00 0.00 177.00 174.18 3kgp s GLN 131 N -4.60 1.53 0.38 5.54 0.74 -1.26 -4.95 119.66 117.04 3kgp s GLN 131 Ca 0.67 1.05 -0.26 0.00 0.05 0.00 0.00 55.36 56.87 3kgp s GLN 131 Cb -0.23 -1.82 -0.09 0.00 1.10 0.00 0.00 33.01 31.97 3kgp s GLN 131 CO 0.57 -2.12 1.19 -0.59 -0.55 0.00 0.00 175.29 173.79 3kgp s PHE 132 N -2.87 3.09 0.00 1.67 -0.12 -1.26 -2.73 117.98 115.76 3kgp s PHE 132 Ca 0.63 1.54 0.00 0.00 -0.05 0.00 0.00 56.93 59.05 3kgp s PHE 132 Cb -0.18 -3.44 0.00 0.00 -0.63 0.00 0.00 43.02 38.77 3kgp s PHE 132 CO 0.57 -1.37 0.00 0.41 -0.05 0.00 0.00 175.22 174.78 3kgp n GLY 133 N 0.71 0.81 3.76 1.99 0.00 0.08 -4.96 105.19 107.59 3kgp n GLY 133 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 3kgp n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kgp s THR 134 N -2.18 2.70 -0.26 2.61 2.01 -1.11 -4.67 115.64 114.75 3kgp s THR 134 Ca 0.00 0.52 -0.15 0.00 0.31 0.00 0.00 61.69 62.37 3kgp s THR 134 Cb 0.00 -3.25 -0.04 0.00 0.01 0.00 0.00 72.50 69.22 3kgp s THR 134 CO 0.00 -0.02 0.36 -0.44 -0.69 0.00 0.00 174.62 173.83 3kgp s SER 135 N -1.25 6.27 0.45 3.53 0.01 -1.26 -1.75 113.70 119.69 3kgp s SER 135 Ca 0.68 0.31 0.03 0.00 1.31 0.00 0.00 55.95 58.28 3kgp s SER 135 Cb -0.33 -2.21 -0.04 0.00 0.21 0.00 0.00 66.02 63.66 3kgp s SER 135 CO 0.39 -0.15 0.04 0.00 0.41 0.00 0.00 173.24 173.92 3kgp s GLU 137 N -3.81 1.38 0.01 0.00 -1.05 -0.32 -1.48 118.70 113.44 3kgp s GLU 137 Ca 0.19 -1.57 0.02 0.00 -0.15 0.00 0.00 54.97 53.46 3kgp s GLU 137 Cb 0.04 -1.31 -0.01 0.00 -0.44 0.00 0.00 34.13 32.41 3kgp s GLU 137 CO 0.10 0.24 -0.07 0.96 0.95 0.00 0.00 175.26 177.44 3kgp s ILE 138 N -2.62 0.55 0.05 1.83 -4.36 -0.61 -1.23 121.20 114.82 3kgp s ILE 138 Ca 0.22 -0.57 0.07 0.00 -0.26 0.00 0.00 60.65 60.11 3kgp s ILE 138 Cb -0.03 -0.52 -0.03 0.00 1.25 0.00 0.00 42.46 43.14 3kgp s ILE 138 CO 0.08 -0.03 -0.20 -0.89 0.24 0.00 0.00 174.94 174.14 3kgp s THR 139 N -0.57 1.61 0.00 8.37 2.01 -1.22 -2.12 115.64 123.71 3kgp s THR 139 Ca -0.01 -1.25 0.00 0.00 0.31 0.00 0.00 61.69 60.74 3kgp s THR 139 Cb -0.05 -1.42 0.00 0.00 0.01 0.00 0.00 72.50 71.04 3kgp s THR 139 CO 0.00 0.13 0.00 0.61 -0.69 0.00 0.00 174.62 174.67 3kgp n GLY 140 N 1.70 0.44 1.21 4.40 0.00 -0.64 -4.37 105.19 107.93 3kgp n GLY 140 Ca -0.18 -0.95 0.08 0.00 0.00 0.00 0.00 46.02 44.97 3kgp n GLY 140 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kgp n PHE 141 N -0.31 1.27 -0.64 1.61 3.72 -1.26 -1.98 117.46 119.87 3kgp n PHE 141 Ca 0.00 -0.78 -0.28 0.00 -0.05 0.00 0.00 57.45 56.34 3kgp n PHE 141 Cb 0.00 -0.34 0.25 0.00 -0.94 0.00 0.00 39.48 38.45 3kgp n PHE 141 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3kgp s GLY 142 N -1.44 1.54 0.58 1.37 0.00 -1.24 -3.94 107.32 104.19 3kgp s GLY 142 Ca 0.45 -0.24 -0.20 0.00 0.00 0.00 0.00 44.72 44.73 3kgp s GLY 142 CO 0.13 0.49 1.15 0.28 0.00 0.00 0.00 173.10 175.16 3kgp n LYS 143 N -4.87 1.22 0.06 2.90 5.02 -0.16 -2.59 118.16 119.74 3kgp n LYS 143 Ca 0.03 0.46 0.12 0.00 -2.02 0.00 0.00 58.31 56.90 3kgp n LYS 143 Cb 0.55 -2.35 0.06 0.00 -0.02 0.00 0.00 35.03 33.26 3kgp n LYS 143 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3kgp n GLU 144 N -1.09 0.41 -3.72 1.97 1.02 -1.26 -0.63 120.64 117.35 3kgp n GLU 144 Ca 0.13 0.06 -0.12 0.00 -0.02 0.00 0.00 57.16 57.21 3kgp n GLU 144 Cb 0.46 -1.70 -0.10 0.00 -0.02 0.00 0.00 31.44 30.07 3kgp n GLU 144 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3kgp s GLN 145 N -3.26 0.44 0.47 3.49 -0.21 -1.26 -4.09 119.66 115.24 3kgp s GLN 145 Ca 0.03 0.64 0.24 0.00 0.02 0.00 0.00 55.36 56.29 3kgp s GLN 145 Cb 0.12 0.13 1.28 0.00 1.00 0.00 0.00 33.01 35.54 3kgp s GLN 145 CO 0.77 -0.09 1.86 0.77 -2.12 0.00 0.00 175.29 176.48 3kgp h SER 146 N 6.10 0.22 -0.01 5.90 0.02 -1.90 0.30 113.55 124.19 3kgp h SER 146 Ca -0.31 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 3kgp h SER 146 Cb 1.18 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.71 3kgp h SER 146 CO 0.27 0.08 -0.00 0.35 -1.14 0.00 0.00 176.83 176.38 3kgp n THR 147 N -4.41 0.00 -2.15 -2.27 -2.24 -1.26 -4.90 114.28 97.05 3kgp n THR 147 Ca 0.20 -0.22 -0.37 0.00 -2.27 0.00 0.00 64.05 61.39 3kgp n THR 147 Cb 0.86 0.39 0.00 0.00 -2.10 0.00 0.00 70.33 69.49 3kgp n THR 147 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3kgp s ASP 148 N -2.01 5.90 -0.22 3.42 1.11 0.11 -4.93 116.67 120.05 3kgp s ASP 148 Ca 0.39 2.40 0.02 0.00 0.18 0.00 0.00 52.55 55.54 3kgp s ASP 148 Cb 0.21 -2.61 -0.20 0.00 1.07 0.00 0.00 42.92 41.39 3kgp s ASP 148 CO 0.34 -1.11 -0.04 0.00 1.18 0.00 0.00 175.17 175.54 3kgp n TYR 149 N -0.71 0.31 -2.55 4.23 4.19 -1.26 -4.97 117.16 116.40 3kgp n TYR 149 Ca 0.09 0.07 -0.26 0.00 3.31 0.00 0.00 57.90 61.11 3kgp n TYR 149 Cb 0.48 -1.04 0.03 0.00 0.49 0.00 0.00 39.34 39.29 3kgp n TYR 149 CO 0.00 0.00 0.00 -0.51 0.91 0.00 0.00 176.86 177.26 3kgp s LEU 150 N -6.51 3.34 0.07 2.98 1.43 -1.26 -5.10 118.68 113.63 3kgp s LEU 150 Ca -0.29 0.60 0.03 0.00 -1.03 0.00 0.00 54.13 53.45 3kgp s LEU 150 Cb 0.08 -3.45 -0.04 0.00 0.03 0.00 0.00 46.19 42.82 3kgp s LEU 150 CO 0.67 -0.96 0.03 -0.31 0.23 0.00 0.00 176.35 176.01 3kgp s TYR 151 N -2.87 3.09 0.68 0.29 1.51 -1.26 -4.66 117.35 114.13 3kgp s TYR 151 Ca 0.52 0.04 -0.16 0.00 -1.01 0.00 0.00 57.07 56.47 3kgp s TYR 151 Cb -0.10 -1.60 0.01 0.00 -0.11 0.00 0.00 41.96 40.16 3kgp s TYR 151 CO 0.43 0.50 1.19 -1.25 -1.11 0.00 0.00 175.55 175.30 3kgp s PRO 152 N -2.20 2.48 0.10 -1.71 0.04 -1.25 -4.92 135.00 127.53 3kgp s PRO 152 Ca 0.26 1.70 0.13 0.00 0.04 0.00 0.00 61.00 63.12 3kgp s PRO 152 Cb -0.12 -1.88 -0.14 0.00 0.04 0.00 0.00 34.50 32.40 3kgp s PRO 152 CO 0.18 -1.56 1.03 1.49 0.04 0.00 0.00 177.00 178.19 3kgp h GLU 153 N 0.06 0.00 -5.73 4.56 4.57 -1.96 -3.42 114.58 112.66 3kgp h GLU 153 Ca -0.48 0.00 -0.66 0.00 -1.18 0.00 0.00 59.36 57.04 3kgp h GLU 153 Cb 1.29 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.81 3kgp h GLU 153 CO 0.52 0.57 -0.49 -1.14 -1.18 0.00 0.00 179.01 177.29 3kgp s GLN 154 N -2.79 3.41 0.60 1.92 2.00 -1.26 -0.57 119.66 122.97 3kgp s GLN 154 Ca -0.01 -0.22 -0.19 0.00 -2.00 0.00 0.00 55.36 52.94 3kgp s GLN 154 Cb 0.09 -3.13 -0.03 0.00 0.80 0.00 0.00 33.01 30.73 3kgp s GLN 154 CO 0.80 0.73 1.20 -1.17 -0.50 0.00 0.00 175.29 176.36 3kgp s LEU 155 N -1.39 3.65 0.12 3.68 2.96 -0.36 -4.91 118.68 122.44 3kgp s LEU 155 Ca 0.20 2.37 0.03 0.00 -0.22 0.00 0.00 54.13 56.51 3kgp s LEU 155 Cb -0.12 -4.60 -0.04 0.00 0.50 0.00 0.00 46.19 41.93 3kgp s LEU 155 CO 0.10 -1.61 -0.09 -0.54 -1.32 0.00 0.00 176.35 172.89 3kgp s LYS 156 N -3.37 0.94 0.04 1.98 1.02 -0.84 -1.89 119.74 117.62 3kgp s LYS 156 Ca 0.77 -1.37 -0.14 0.00 0.02 0.00 0.00 55.97 55.25 3kgp s LYS 156 Cb -0.30 -0.43 0.02 0.00 -0.52 0.00 0.00 37.83 36.60 3kgp s LYS 156 CO 0.33 0.03 0.30 0.00 -0.92 0.00 0.00 175.35 175.10 3kgp s MET 157 N -3.69 0.81 0.34 1.68 0.23 -0.51 -1.62 119.30 116.54 3kgp s MET 157 Ca 0.13 -0.50 -0.07 0.00 -1.03 0.00 0.00 55.69 54.23 3kgp s MET 157 Cb 0.03 0.35 0.01 0.00 -1.53 0.00 0.00 34.83 33.69 3kgp s MET 157 CO -0.02 -0.26 0.54 -0.08 -2.03 0.00 0.00 175.02 173.18 3kgp s THR 158 N -2.52 0.00 0.01 3.16 -1.32 -0.90 -1.07 115.64 113.00 3kgp s THR 158 Ca -0.05 -1.45 0.04 0.00 -1.21 0.00 0.00 61.69 59.03 3kgp s THR 158 Cb -0.01 -2.64 -0.03 0.00 -1.51 0.00 0.00 72.50 68.31 3kgp s THR 158 CO -0.03 0.00 -0.11 -0.69 -2.21 0.00 0.00 174.62 171.58 3kgp s VAL 159 N -3.00 3.33 -0.05 5.08 1.01 -1.26 -1.58 120.40 123.93 3kgp s VAL 159 Ca 0.26 -0.90 -0.12 0.00 0.00 0.00 0.00 61.98 61.22 3kgp s VAL 159 Cb -0.01 -2.42 0.02 0.00 0.00 0.00 0.00 36.38 33.96 3kgp s VAL 159 CO 0.17 0.39 0.29 0.68 0.00 0.00 0.00 175.10 176.63 3kgp s VAL 160 N -0.95 0.04 -0.14 2.92 -7.23 -0.55 -4.74 120.40 109.75 3kgp s VAL 160 Ca 0.16 -0.31 -0.11 0.00 -1.81 0.00 0.00 61.98 59.92 3kgp s VAL 160 Cb -0.11 -0.52 -0.05 0.00 0.56 0.00 0.00 36.38 36.26 3kgp s VAL 160 CO 0.06 -0.17 0.21 -0.54 -0.31 0.00 0.00 175.10 174.35 3kgp s LYS 161 N -0.73 3.93 0.36 4.82 1.02 -0.20 -1.41 119.74 127.54 3kgp s LYS 161 Ca -0.08 -0.04 -0.28 0.00 0.02 0.00 0.00 55.97 55.59 3kgp s LYS 161 Cb -0.04 -3.32 -0.11 0.00 -0.52 0.00 0.00 37.83 33.83 3kgp s LYS 161 CO 0.02 0.49 1.52 -0.51 -0.92 0.00 0.00 175.35 175.95 3kgp s LEU 162 N -0.24 4.32 -0.07 3.17 1.02 -0.72 -1.40 118.68 124.76 3kgp s LEU 162 Ca 0.14 3.06 0.04 0.00 0.02 0.00 0.00 54.13 57.39 3kgp s LEU 162 Cb -0.12 -3.66 -0.01 0.00 0.02 0.00 0.00 46.19 42.41 3kgp s LEU 162 CO 0.03 -0.90 -0.20 -0.63 0.02 0.00 0.00 176.35 174.67 3kgp s ILE 163 N -0.91 2.48 0.69 -0.59 1.01 0.43 -0.74 121.20 123.57 3kgp s ILE 163 Ca 0.55 -0.91 -0.17 0.00 0.00 0.00 0.00 60.65 60.12 3kgp s ILE 163 Cb -0.47 -1.95 0.01 0.00 0.01 0.00 0.00 42.46 40.06 3kgp s ILE 163 CO 0.61 0.57 1.21 -1.54 0.00 0.00 0.00 174.94 175.78 3kgp n SER 164 N 2.92 1.55 -0.09 3.58 3.41 -1.26 -4.10 113.62 119.63 3kgp n SER 164 Ca -0.18 0.75 -0.00 0.00 -0.26 0.00 0.00 58.87 59.19 3kgp n SER 164 Cb 0.52 -1.52 0.27 0.00 -0.26 0.00 0.00 64.21 63.23 3kgp n SER 164 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 3kgp h HIS 165 N 0.11 0.72 -0.46 7.33 2.76 -1.97 -0.49 115.15 123.16 3kgp h HIS 165 Ca -0.49 -0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 57.63 3kgp h HIS 165 Cb 1.33 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 30.05 3kgp h HIS 165 CO 0.42 0.57 0.27 -0.09 -1.30 0.00 0.00 177.93 177.80 3kgp h ARG 166 N 0.72 0.63 -0.41 5.26 2.43 -1.98 0.52 114.38 121.54 3kgp h ARG 166 Ca 0.17 -0.06 -0.15 0.00 -0.81 0.00 0.00 59.98 59.13 3kgp h ARG 166 Cb 0.16 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 3kgp h ARG 166 CO -0.01 0.48 -0.32 1.49 -1.51 0.00 0.00 179.97 180.09 3kgp h GLU 167 N 0.60 0.92 0.00 0.20 4.81 -1.75 -2.82 114.58 116.54 3kgp h GLU 167 Ca 0.16 -0.44 -0.07 0.00 -0.13 0.00 0.00 59.36 58.88 3kgp h GLU 167 Cb 0.02 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 3kgp h GLU 167 CO -0.03 1.10 -0.35 0.00 -0.73 0.00 0.00 179.01 179.01 3kgp h GLN 169 N 0.00 0.00 -6.46 0.00 4.15 0.28 -2.62 115.11 110.46 3kgp h GLN 169 Ca -0.00 0.00 -0.57 0.00 0.77 0.00 0.00 58.65 58.84 3kgp h GLN 169 Cb 1.01 0.00 0.18 0.00 0.21 0.00 0.00 27.48 28.88 3kgp h GLN 169 CO 0.04 0.25 -0.59 1.04 -1.93 0.00 0.00 178.83 177.64 3kgp n GLN 170 N -4.22 0.32 -0.08 1.69 6.02 -1.15 -2.66 117.38 117.31 3kgp n GLN 170 Ca -0.02 0.13 -0.11 0.00 -0.01 0.00 0.00 57.00 56.99 3kgp n GLN 170 Cb 0.30 -1.61 -0.04 0.00 1.02 0.00 0.00 30.24 29.91 3kgp n GLN 170 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 3kgp h PRO 170 N -0.11 0.39 0.00 -1.09 0.11 -1.88 0.75 132.00 130.16 3kgp h PRO 170 Ca -0.45 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 65.55 3kgp h PRO 170 Cb 1.38 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.45 3kgp h PRO 170 CO 0.43 0.54 0.00 -2.39 -0.21 0.00 0.00 178.00 176.37 3kgp n HIS 170 N -4.70 0.00 0.00 0.65 1.44 -1.26 -4.11 115.22 107.25 3kgp n HIS 170 Ca -0.04 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.67 3kgp n HIS 170 Cb 0.21 -0.29 0.00 0.00 0.12 0.00 0.00 29.99 30.03 3kgp n HIS 170 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 3kgp n TYR 171 N -1.29 0.00 -0.23 -1.40 4.02 -0.92 -4.79 117.16 112.54 3kgp n TYR 171 Ca 0.03 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.98 3kgp n TYR 171 Cb 0.04 0.00 0.18 0.00 -0.02 0.00 0.00 39.34 39.55 3kgp n TYR 171 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3kgp n TYR 172 N 0.00 0.57 0.00 -0.72 4.01 -0.99 -4.91 117.16 115.12 3kgp n TYR 172 Ca 0.00 -0.51 0.00 0.00 -0.16 0.00 0.00 57.90 57.23 3kgp n TYR 172 Cb 0.00 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.00 3kgp n TYR 172 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kgp n GLY 173 N 0.67 3.33 0.03 2.72 0.00 0.26 -1.85 105.19 110.35 3kgp n GLY 173 Ca 0.14 0.22 0.11 0.00 0.00 0.00 0.00 46.02 46.49 3kgp n GLY 173 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kgp n SER 174 N 5.61 0.59 -0.27 1.61 7.64 -1.26 -4.19 113.62 123.35 3kgp n SER 174 Ca 0.00 -0.24 0.32 0.00 1.01 0.00 0.00 58.87 59.96 3kgp n SER 174 Cb 0.00 0.92 0.72 0.00 -1.01 0.00 0.00 64.21 64.84 3kgp n SER 174 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 3kgp h GLU 175 N 0.00 0.03 -5.77 1.43 5.08 -1.74 -3.37 114.58 110.24 3kgp h GLU 175 Ca 0.00 -0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 3kgp h GLU 175 Cb 0.75 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.91 3kgp h GLU 175 CO 0.00 0.02 0.08 0.14 -1.00 0.00 0.00 179.01 178.25 3kgp s VAL 176 N -5.00 5.05 0.35 3.13 -7.23 -1.26 -4.92 120.40 110.52 3kgp s VAL 176 Ca -0.05 1.22 0.08 0.00 -1.81 0.00 0.00 61.98 61.42 3kgp s VAL 176 Cb 0.23 -3.95 -0.04 0.00 0.56 0.00 0.00 36.38 33.18 3kgp s VAL 176 CO 0.79 0.18 0.19 0.42 -0.31 0.00 0.00 175.10 176.37 3kgp s THR 177 N 1.44 3.09 -0.30 5.32 -4.23 -1.26 -4.93 115.64 114.77 3kgp s THR 177 Ca 0.31 -1.60 0.21 0.00 -1.18 0.00 0.00 61.69 59.43 3kgp s THR 177 Cb -0.16 -3.03 0.21 0.00 1.34 0.00 0.00 72.50 70.86 3kgp s THR 177 CO 0.12 -0.16 1.65 0.35 -0.54 0.00 0.00 174.62 176.04 3kgp n THR 178 N -1.23 1.03 1.65 3.99 -2.24 -1.26 0.34 114.28 116.56 3kgp n THR 178 Ca -0.02 0.61 0.10 0.00 -2.27 0.00 0.00 64.05 62.47 3kgp n THR 178 Cb 0.61 -1.60 0.48 0.00 -2.10 0.00 0.00 70.33 67.73 3kgp n THR 178 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3kgp n LYS 179 N -2.22 1.34 -4.39 -0.78 5.02 -1.26 -4.83 118.16 111.03 3kgp n LYS 179 Ca -0.01 -0.51 -0.27 0.00 -2.02 0.00 0.00 58.31 55.51 3kgp n LYS 179 Cb 0.08 -1.35 -0.12 0.00 -0.02 0.00 0.00 35.03 33.62 3kgp n LYS 179 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3kgp s MET 180 N -1.91 1.43 -0.03 1.97 -1.94 0.15 -1.08 119.30 117.88 3kgp s MET 180 Ca 0.31 -1.42 0.04 0.00 -1.71 0.00 0.00 55.69 52.90 3kgp s MET 180 Cb 0.15 -1.80 -0.00 0.00 2.01 0.00 0.00 34.83 35.19 3kgp s MET 180 CO 0.24 0.41 -0.16 -0.51 -0.01 0.00 0.00 175.02 174.99 3kgp s LEU 181 N -2.38 1.93 0.05 -0.03 1.43 0.13 -4.79 118.68 115.01 3kgp s LEU 181 Ca 0.17 -0.32 0.02 0.00 -1.03 0.00 0.00 54.13 52.98 3kgp s LEU 181 Cb -0.09 -0.88 -0.04 0.00 0.03 0.00 0.00 46.19 45.21 3kgp s LEU 181 CO 0.08 0.15 0.04 0.00 0.23 0.00 0.00 176.35 176.85 3kgp s ALA 183 N -1.26 -0.92 0.13 0.00 0.00 -0.76 -0.43 121.76 118.53 3kgp s ALA 183 Ca 0.25 0.88 -0.25 0.00 0.00 0.00 0.00 51.96 52.84 3kgp s ALA 183 Cb -0.12 -0.42 0.07 0.00 0.00 0.00 0.00 23.12 22.65 3kgp s ALA 183 CO 0.17 -0.21 1.02 0.00 0.00 0.00 0.00 175.76 176.74 3kgp s ALA 184 N -0.23 -1.73 0.07 0.00 0.00 -0.50 -1.53 121.76 117.84 3kgp s ALA 184 Ca -0.04 0.14 -0.20 0.00 0.00 0.00 0.00 51.96 51.85 3kgp s ALA 184 Cb -0.03 0.62 -0.06 0.00 0.00 0.00 0.00 23.12 23.64 3kgp s ALA 184 CO 0.02 -1.05 0.61 0.34 0.00 0.00 0.00 175.76 175.67 3kgp s ASP 185 N -3.02 7.09 0.50 0.00 2.15 -1.25 -1.03 116.67 121.10 3kgp s ASP 185 Ca 0.14 1.29 0.27 0.00 0.43 0.00 0.00 52.55 54.68 3kgp s ASP 185 Cb -0.01 -2.38 1.36 0.00 -0.30 0.00 0.00 42.92 41.60 3kgp s ASP 185 CO 0.02 0.22 1.88 -0.65 -0.17 0.00 0.00 175.17 176.47 3kgp h PRO 185 N 4.80 0.12 -0.24 4.34 0.11 -1.96 0.41 132.00 139.58 3kgp h PRO 185 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3kgp h PRO 185 Cb 1.21 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3kgp h PRO 185 CO 0.65 0.08 0.00 1.04 -0.21 0.00 0.00 178.00 179.56 3kgp n GLN 185 N -4.35 1.98 -1.72 1.05 1.13 -1.26 -4.96 117.38 109.24 3kgp n GLN 185 Ca 0.19 -1.86 -0.17 0.00 -1.94 0.00 0.00 57.00 53.22 3kgp n GLN 185 Cb 0.88 -1.36 -0.06 0.00 0.11 0.00 0.00 30.24 29.82 3kgp n GLN 185 CO 0.00 0.00 0.00 0.91 -1.44 0.00 0.00 177.06 176.53 3kgp n TRP 186 N 0.97 -0.46 0.75 1.08 7.02 0.14 -4.84 117.44 122.10 3kgp n TRP 186 Ca 0.13 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.74 3kgp n TRP 186 Cb 0.46 -3.08 0.37 0.00 -2.42 0.00 0.00 31.31 26.64 3kgp n TRP 186 CO 0.00 0.00 0.00 0.36 -2.02 0.00 0.00 177.69 176.03 3kgp n LYS 187 N -2.31 0.17 -3.99 -0.99 2.85 -1.26 -4.40 118.16 108.23 3kgp n LYS 187 Ca -0.17 0.10 -0.10 0.00 -1.05 0.00 0.00 58.31 57.08 3kgp n LYS 187 Cb 0.57 -1.66 -0.11 0.00 -0.65 0.00 0.00 35.03 33.18 3kgp n LYS 187 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 3kgp s THR 188 N -3.08 0.20 -0.05 0.58 -1.32 -1.26 -4.36 115.64 106.35 3kgp s THR 188 Ca 0.10 -0.84 -0.31 0.00 -1.21 0.00 0.00 61.69 59.44 3kgp s THR 188 Cb 0.15 -0.32 0.12 0.00 -1.51 0.00 0.00 72.50 70.95 3kgp s THR 188 CO 0.63 -0.41 1.34 -0.62 -2.21 0.00 0.00 174.62 173.36 3kgp s ASP 189 N -1.30 -0.03 0.56 8.08 2.15 -1.02 -3.95 116.67 121.16 3kgp s ASP 189 Ca -0.13 -0.10 -0.08 0.00 0.43 0.00 0.00 52.55 52.68 3kgp s ASP 189 Cb -0.09 0.10 -0.03 0.00 -0.30 0.00 0.00 42.92 42.60 3kgp s ASP 189 CO -0.01 -0.19 0.90 -0.94 -0.17 0.00 0.00 175.17 174.77 3kgp s SER 190 N -3.19 6.14 0.02 -0.34 1.04 -1.26 0.39 113.70 116.50 3kgp s SER 190 Ca 0.18 1.10 -0.00 0.00 0.48 0.00 0.00 55.95 57.71 3kgp s SER 190 Cb 0.05 -2.26 0.00 0.00 0.10 0.00 0.00 66.02 63.91 3kgp s SER 190 CO -0.04 -0.78 0.02 0.00 0.98 0.00 0.00 173.24 173.43 3kgp n GLN 192 N -0.03 1.74 0.00 0.00 7.27 -1.26 -1.53 117.38 123.58 3kgp n GLN 192 Ca -0.00 0.62 0.00 0.00 0.07 0.00 0.00 57.00 57.69 3kgp n GLN 192 Cb 0.03 -2.48 0.00 0.00 2.41 0.00 0.00 30.24 30.20 3kgp n GLN 192 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3kgp n GLY 193 N 4.62 0.67 0.11 1.69 0.00 -1.26 -0.99 105.19 110.02 3kgp n GLY 193 Ca 0.26 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.39 3kgp n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kgp n ASP 194 N 0.00 1.05 -4.62 1.61 8.00 -0.58 -3.65 116.55 118.37 3kgp n ASP 194 Ca 0.00 -0.88 -0.39 0.00 0.71 0.00 0.00 54.79 54.23 3kgp n ASP 194 Cb 0.00 0.63 0.03 0.00 -0.02 0.00 0.00 41.12 41.76 3kgp n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3kgp n SER 195 N -1.16 1.05 0.00 -2.24 7.64 -1.26 -1.54 113.62 116.11 3kgp n SER 195 Ca 0.06 0.91 0.00 0.00 1.01 0.00 0.00 58.87 60.85 3kgp n SER 195 Cb 0.36 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.17 3kgp n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kgp n GLY 196 N 1.22 2.77 3.77 0.23 0.00 -0.41 -1.57 105.19 111.19 3kgp n GLY 196 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 3kgp n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kgp s GLY 197 N -1.83 1.66 0.19 -0.02 0.00 -0.59 -3.16 107.32 103.58 3kgp s GLY 197 Ca 0.00 0.14 -0.19 0.00 0.00 0.00 0.00 44.72 44.68 3kgp s GLY 197 CO 0.00 0.52 0.68 2.56 0.00 0.00 0.00 173.10 176.86 3kgp s PRO 198 N -4.95 4.20 -0.41 2.90 0.04 -1.26 -0.67 135.00 134.86 3kgp s PRO 198 Ca 0.61 0.79 -0.04 0.00 0.04 0.00 0.00 61.00 62.40 3kgp s PRO 198 Cb -0.17 -2.93 0.10 0.00 0.04 0.00 0.00 34.50 31.55 3kgp s PRO 198 CO 0.56 0.43 0.20 -1.17 0.04 0.00 0.00 177.00 177.07 3kgp s LEU 199 N -1.89 5.17 -0.22 -3.56 2.96 0.37 -3.44 118.68 118.09 3kgp s LEU 199 Ca 0.41 -1.91 -0.09 0.00 -0.22 0.00 0.00 54.13 52.32 3kgp s LEU 199 Cb -0.17 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.63 3kgp s LEU 199 CO 0.21 -0.53 0.10 -0.69 -1.32 0.00 0.00 176.35 174.12 3kgp s VAL 200 N 1.19 4.98 0.21 1.68 1.01 -0.36 -1.49 120.40 127.62 3kgp s VAL 200 Ca 0.06 0.04 0.09 0.00 0.00 0.00 0.00 61.98 62.18 3kgp s VAL 200 Cb -0.23 -3.29 -0.05 0.00 0.00 0.00 0.00 36.38 32.82 3kgp s VAL 200 CO -0.03 0.40 -0.18 0.00 0.00 0.00 0.00 175.10 175.28 3kgp s SER 202 N -3.04 6.19 -0.29 0.00 0.15 -1.26 -0.47 113.70 114.98 3kgp s SER 202 Ca 0.21 -0.26 0.02 0.00 0.70 0.00 0.00 55.95 56.63 3kgp s SER 202 Cb -0.04 -2.20 0.07 0.00 -1.71 0.00 0.00 66.02 62.13 3kgp s SER 202 CO 0.09 -0.37 -0.05 -0.76 1.20 0.00 0.00 173.24 173.35 3kgp s LEU 203 N 2.05 3.86 -0.92 3.45 1.43 0.22 -4.66 118.68 124.12 3kgp s LEU 203 Ca 0.12 -1.54 -0.03 0.00 -1.03 0.00 0.00 54.13 51.65 3kgp s LEU 203 Cb -0.17 -1.61 0.00 0.00 0.03 0.00 0.00 46.19 44.45 3kgp s LEU 203 CO 0.12 -0.25 0.40 0.00 0.23 0.00 0.00 176.35 176.85 3kgp n GLN 204 N 4.44 -3.12 -1.05 1.70 6.02 -1.26 -2.50 117.38 121.61 3kgp n GLN 204 Ca -0.10 0.54 -0.02 0.00 -0.01 0.00 0.00 57.00 57.41 3kgp n GLN 204 Cb 0.42 -4.63 -0.01 0.00 1.02 0.00 0.00 30.24 27.05 3kgp n GLN 204 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kgp n GLY 205 N -1.23 0.52 2.99 1.08 0.00 -1.26 -5.03 105.19 102.26 3kgp n GLY 205 Ca -0.06 -0.58 -0.24 0.00 0.00 0.00 0.00 46.02 45.14 3kgp n GLY 205 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kgp s ARG 206 N -1.43 1.54 -0.05 1.61 3.52 -1.04 -5.10 118.95 117.99 3kgp s ARG 206 Ca 0.00 -0.34 -0.30 0.00 -0.13 0.00 0.00 55.73 54.96 3kgp s ARG 206 Cb 0.00 -1.34 -0.05 0.00 -1.56 0.00 0.00 34.95 32.00 3kgp s ARG 206 CO 0.00 -0.03 1.60 -1.64 -0.81 0.00 0.00 175.30 174.42 3kgp s MET 207 N 0.83 4.20 0.04 5.12 -1.94 -1.26 -0.61 119.30 125.68 3kgp s MET 207 Ca -0.12 2.13 0.07 0.00 -1.71 0.00 0.00 55.69 56.06 3kgp s MET 207 Cb -0.15 -3.90 -0.02 0.00 2.01 0.00 0.00 34.83 32.76 3kgp s MET 207 CO 0.02 -0.80 -0.19 0.99 -0.01 0.00 0.00 175.02 175.03 3kgp s THR 208 N 3.74 1.50 -1.21 2.05 2.01 0.38 -3.92 115.64 120.18 3kgp s THR 208 Ca 0.71 -1.13 -0.19 0.00 0.31 0.00 0.00 61.69 61.39 3kgp s THR 208 Cb -0.33 -1.31 0.07 0.00 0.01 0.00 0.00 72.50 70.94 3kgp s THR 208 CO 0.28 0.15 1.63 -0.22 -0.69 0.00 0.00 174.62 175.78 3kgp s LEU 209 N -1.15 3.84 0.14 4.42 0.20 0.15 -2.11 118.68 124.17 3kgp s LEU 209 Ca 0.06 -2.20 -0.00 0.00 0.69 0.00 0.00 54.13 52.67 3kgp s LEU 209 Cb -0.08 -2.56 -0.07 0.00 -0.43 0.00 0.00 46.19 43.04 3kgp s LEU 209 CO 0.02 -1.24 1.33 0.74 -0.29 0.00 0.00 176.35 176.91 3kgp h THR 210 N 5.85 1.47 -3.54 3.68 2.02 -1.62 -3.38 112.91 117.40 3kgp h THR 210 Ca 0.37 -2.64 -0.07 0.00 0.77 0.00 0.00 66.41 64.84 3kgp h THR 210 Cb 0.91 2.51 -0.14 0.00 -1.74 0.00 0.00 68.15 69.70 3kgp h THR 210 CO 1.43 0.77 -0.20 -0.83 0.37 0.00 0.00 175.52 177.07 3kgp s GLY 211 N -4.50 -0.12 -0.14 2.16 0.00 -0.55 -2.58 107.32 101.58 3kgp s GLY 211 Ca -0.04 -0.25 0.02 0.00 0.00 0.00 0.00 44.72 44.45 3kgp s GLY 211 CO 0.85 -0.48 -0.19 -0.42 0.00 0.00 0.00 173.10 172.85 3kgp s ILE 212 N -3.70 1.89 -0.07 0.90 1.01 -1.07 0.14 121.20 120.28 3kgp s ILE 212 Ca 0.03 -0.86 -0.37 0.00 0.00 0.00 0.00 60.65 59.45 3kgp s ILE 212 Cb 0.03 -1.70 -0.15 0.00 0.01 0.00 0.00 42.46 40.65 3kgp s ILE 212 CO -0.11 0.52 1.63 0.52 0.00 0.00 0.00 174.94 177.50 3kgp n VAL 213 N 4.29 0.23 0.05 2.92 0.31 0.16 -1.20 118.33 125.09 3kgp n VAL 213 Ca -0.20 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 3kgp n VAL 213 Cb 0.51 -1.28 0.00 0.00 -0.91 0.00 0.00 33.84 32.16 3kgp n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3kgp n SER 214 N 4.53 0.97 -2.93 4.52 2.88 -0.82 -1.29 113.62 121.48 3kgp n SER 214 Ca 0.22 0.15 -0.08 0.00 -1.33 0.00 0.00 58.87 57.82 3kgp n SER 214 Cb 0.20 -0.28 0.03 0.00 -0.75 0.00 0.00 64.21 63.41 3kgp n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 3kgp s TRP 215 N -2.00 0.12 0.00 0.66 1.48 -1.10 -4.92 118.94 113.18 3kgp s TRP 215 Ca 0.00 -0.79 0.00 0.00 -1.06 0.00 0.00 56.10 54.25 3kgp s TRP 215 Cb 0.00 0.84 0.00 0.00 -1.16 0.00 0.00 33.47 33.15 3kgp s TRP 215 CO 0.00 -1.53 0.00 0.41 -4.06 0.00 0.00 176.95 171.77 3kgp n GLY 216 N -0.55 1.44 3.56 3.67 0.00 -1.26 0.21 105.19 112.26 3kgp n GLY 216 Ca -0.08 -0.58 -0.43 0.00 0.00 0.00 0.00 46.02 44.94 3kgp n GLY 216 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kgp s ARG 217 N -2.00 3.49 3.21 1.61 6.06 -1.26 -4.87 118.95 125.18 3kgp s ARG 217 Ca 0.00 0.10 0.00 0.00 -2.50 0.00 0.00 55.73 53.33 3kgp s ARG 217 Cb 0.00 -3.98 0.00 0.00 0.06 0.00 0.00 34.95 31.03 3kgp s ARG 217 CO 0.00 -1.44 0.00 0.41 -2.50 0.00 0.00 175.30 171.77 3kgp n GLY 219 N 5.01 0.95 2.85 8.12 0.00 -1.26 -4.74 105.19 116.12 3kgp n GLY 219 Ca 0.06 -0.78 -0.17 0.00 0.00 0.00 0.00 46.02 45.12 3kgp n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kgp n ALA 221 N 3.96 -2.04 -2.55 0.00 0.00 -1.26 -4.91 120.51 113.71 3kgp n ALA 221 Ca -0.25 -0.25 -0.32 0.00 0.00 0.00 0.00 53.44 52.62 3kgp n ALA 221 Cb 0.51 -1.66 -0.11 0.00 0.00 0.00 0.00 19.45 18.19 3kgp n ALA 221 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kgp s LEU 222 N -6.90 2.98 0.40 0.00 1.43 -1.26 -4.77 118.68 110.56 3kgp s LEU 222 Ca 0.02 -0.21 -0.25 0.00 -1.03 0.00 0.00 54.13 52.67 3kgp s LEU 222 Cb -0.01 -1.71 -0.11 0.00 0.03 0.00 0.00 46.19 44.40 3kgp s LEU 222 CO 0.88 0.29 1.01 1.17 0.23 0.00 0.00 176.35 179.92 3kgp n LYS 223 N 1.70 1.36 -1.29 1.70 4.81 -1.26 -2.20 118.16 122.98 3kgp n LYS 223 Ca -0.16 0.49 -0.12 0.00 -0.87 0.00 0.00 58.31 57.65 3kgp n LYS 223 Cb 0.52 -2.02 -0.05 0.00 0.02 0.00 0.00 35.03 33.51 3kgp n LYS 223 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3kgp n ASP 223 N 0.61 -4.63 -3.33 3.14 8.00 -1.26 -4.87 116.55 114.21 3kgp n ASP 223 Ca 0.09 0.29 -0.26 0.00 0.71 0.00 0.00 54.79 55.63 3kgp n ASP 223 Cb 0.38 -3.73 -0.08 0.00 -0.02 0.00 0.00 41.12 37.68 3kgp n ASP 223 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3kgp n LYS 224 N -1.22 1.52 -0.55 -1.24 4.76 -0.93 -4.22 118.16 116.28 3kgp n LYS 224 Ca -0.12 -3.90 -0.30 0.00 -2.87 0.00 0.00 58.31 51.12 3kgp n LYS 224 Cb 0.52 -1.73 0.23 0.00 -1.84 0.00 0.00 35.03 32.20 3kgp n LYS 224 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 3kgp n PRO 225 N 1.26 -2.18 -3.14 1.97 -0.02 -1.26 -4.48 135.00 127.15 3kgp n PRO 225 Ca 0.25 -0.61 -0.39 0.00 -2.02 0.00 0.00 63.50 60.73 3kgp n PRO 225 Cb 0.47 -1.99 -0.06 0.00 -0.02 0.00 0.00 33.50 31.90 3kgp n PRO 225 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3kgp s GLY 226 N -2.18 2.78 -0.05 -1.23 0.00 -0.58 -4.43 107.32 101.62 3kgp s GLY 226 Ca 0.64 0.18 -0.02 0.00 0.00 0.00 0.00 44.72 45.52 3kgp s GLY 226 CO 0.66 0.64 0.08 0.14 0.00 0.00 0.00 173.10 174.61 3kgp s VAL 227 N -1.16 4.81 0.01 1.40 1.01 0.13 -1.83 120.40 124.77 3kgp s VAL 227 Ca 0.33 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 62.11 3kgp s VAL 227 Cb -0.21 -3.13 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 3kgp s VAL 227 CO 0.22 0.48 -0.07 -0.31 0.00 0.00 0.00 175.10 175.42 3kgp s TYR 228 N -1.08 0.62 -0.02 5.22 1.51 0.11 -1.94 117.35 121.78 3kgp s TYR 228 Ca 0.19 -0.23 -0.30 0.00 -1.01 0.00 0.00 57.07 55.72 3kgp s TYR 228 Cb -0.12 -0.39 -0.06 0.00 -0.11 0.00 0.00 41.96 41.28 3kgp s TYR 228 CO 0.09 -0.03 1.64 0.99 -1.11 0.00 0.00 175.55 177.13 3kgp s THR 229 N -0.53 3.45 -0.69 -0.71 2.01 -0.34 -0.69 115.64 118.14 3kgp s THR 229 Ca -0.01 0.67 -0.26 0.00 0.31 0.00 0.00 61.69 62.39 3kgp s THR 229 Cb -0.05 -3.43 0.00 0.00 0.01 0.00 0.00 72.50 69.03 3kgp s THR 229 CO 0.00 -0.04 1.62 -0.60 -0.69 0.00 0.00 174.62 174.91 3kgp s ARG 230 N 3.58 2.88 0.40 4.92 3.52 -0.25 -2.61 118.95 131.39 3kgp s ARG 230 Ca 0.73 0.17 0.08 0.00 -0.13 0.00 0.00 55.73 56.58 3kgp s ARG 230 Cb -0.35 -4.38 0.86 0.00 -1.56 0.00 0.00 34.95 29.52 3kgp s ARG 230 CO 0.30 -2.52 2.02 0.28 -0.81 0.00 0.00 175.30 174.57 3kgp h VAL 231 N 6.57 1.05 0.00 7.11 2.07 -1.78 -2.30 116.25 128.97 3kgp h VAL 231 Ca -0.23 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.09 3kgp h VAL 231 Cb 1.10 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 3kgp h VAL 231 CO 1.25 0.11 0.00 -1.54 0.02 0.00 0.00 177.57 177.41 3kgp n SER 232 N -4.47 0.00 -0.71 0.57 3.41 -1.26 -1.56 113.62 109.59 3kgp n SER 232 Ca 0.06 -0.68 0.07 0.00 -0.26 0.00 0.00 58.87 58.06 3kgp n SER 232 Cb 0.16 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.23 3kgp n SER 232 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3kgp n HIS 233 N -0.92 0.30 -1.94 7.33 8.25 -0.86 -1.85 115.22 125.53 3kgp n HIS 233 Ca 0.12 -0.24 0.04 0.00 -0.26 0.00 0.00 57.72 57.37 3kgp n HIS 233 Cb 0.05 -0.01 0.06 0.00 1.12 0.00 0.00 29.99 31.22 3kgp n HIS 233 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3kgp n PHE 234 N 0.83 0.00 -0.19 4.41 3.01 -0.60 -4.87 117.46 120.06 3kgp n PHE 234 Ca 0.12 -0.54 -0.09 0.00 1.01 0.00 0.00 57.45 57.95 3kgp n PHE 234 Cb 0.42 -0.13 0.01 0.00 -0.01 0.00 0.00 39.48 39.78 3kgp n PHE 234 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 3kgp h LEU 235 N 0.45 0.85 -1.54 4.37 3.38 -1.78 -0.66 115.31 120.37 3kgp h LEU 235 Ca -0.07 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.60 3kgp h LEU 235 Cb 1.43 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 3kgp h LEU 235 CO 0.03 0.90 -0.03 -0.65 0.09 0.00 0.00 178.44 178.78 3kgp h PRO 236 N 0.76 0.25 0.00 1.13 0.11 -1.94 -0.00 132.00 132.31 3kgp h PRO 236 Ca 0.16 -0.04 -0.20 0.00 0.11 0.00 0.00 66.00 66.03 3kgp h PRO 236 Cb 0.42 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 3kgp h PRO 236 CO 0.01 0.30 -0.88 2.35 -0.21 0.00 0.00 178.00 179.58 3kgp h TRP 237 N 0.24 0.31 -0.01 0.65 7.01 -1.83 -2.81 115.95 119.51 3kgp h TRP 237 Ca 0.06 -0.17 -0.09 0.00 2.11 0.00 0.00 58.89 60.80 3kgp h TRP 237 Cb 0.23 -0.03 0.01 0.00 -2.10 0.00 0.00 29.16 27.26 3kgp h TRP 237 CO 0.00 0.98 -0.33 0.82 -2.79 0.00 0.00 178.44 177.12 3kgp h ILE 238 N 0.12 1.51 -0.50 2.65 2.04 -0.37 -2.74 117.51 120.21 3kgp h ILE 238 Ca -0.05 -1.96 -0.04 0.00 1.00 0.00 0.00 64.86 63.81 3kgp h ILE 238 Cb 1.51 2.69 -0.02 0.00 -0.74 0.00 0.00 36.82 40.26 3kgp h ILE 238 CO 0.14 0.55 0.14 0.03 0.00 0.00 0.00 178.15 179.00 3kgp h ARG 239 N -0.38 0.79 -0.20 2.37 3.08 -1.13 -2.22 114.38 116.68 3kgp h ARG 239 Ca -0.04 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 59.82 3kgp h ARG 239 Cb 1.07 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.00 3kgp h ARG 239 CO 0.07 0.75 0.08 0.66 -1.07 0.00 0.00 179.97 180.45 3kgp h SER 240 N 0.68 0.28 0.52 7.04 4.64 -1.61 -2.92 113.55 122.18 3kgp h SER 240 Ca 0.16 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3kgp h SER 240 Cb 0.30 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3kgp h SER 240 CO -0.00 0.38 0.00 1.41 -0.87 0.00 0.00 176.83 177.75 3kgp n HIS 241 N -4.82 0.00 0.42 4.77 8.25 -1.03 -5.11 115.22 117.69 3kgp n HIS 241 Ca -0.04 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.47 3kgp n HIS 241 Cb 0.13 -0.40 0.04 0.00 1.12 0.00 0.00 29.99 30.88 3kgp n HIS 241 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23