#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3krp n GLN 2 N 0.00 0.00 -0.00 2.12 1.13 -1.26 -1.85 117.38 117.52 3krp n GLN 2 Ca 0.00 0.87 0.13 0.00 -1.94 0.00 0.00 57.00 56.06 3krp n GLN 2 Cb 0.00 -1.41 0.76 0.00 0.11 0.00 0.00 30.24 29.71 3krp n GLN 2 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 3krp n PRO 3 N -2.56 1.02 0.00 -1.09 -0.04 -1.26 -3.66 135.00 127.41 3krp n PRO 3 Ca 0.00 -0.03 -0.18 0.00 -0.04 0.00 0.00 63.50 63.24 3krp n PRO 3 Cb 0.00 -1.41 -0.14 0.00 -0.04 0.00 0.00 33.50 31.91 3krp n PRO 3 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 3krp h TYR 4 N 0.08 0.35 0.00 0.54 3.20 -1.81 -2.70 116.97 116.62 3krp h TYR 4 Ca 0.00 -0.25 0.00 0.00 3.14 0.00 0.00 58.73 61.62 3krp h TYR 4 Cb 0.02 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.27 3krp h TYR 4 CO 0.00 1.25 0.00 0.91 -1.64 0.00 0.00 178.16 178.68 3krp n TRP 5 N -4.27 0.00 -0.06 -3.82 5.03 -0.98 -2.27 117.44 111.07 3krp n TRP 5 Ca -0.15 0.00 -0.04 0.00 3.03 0.00 0.00 57.50 60.35 3krp n TRP 5 Cb 0.72 -0.49 -0.02 0.00 -1.03 0.00 0.00 31.31 30.49 3krp n TRP 5 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 3krp h ALA 6 N 2.51 0.01 -0.20 6.99 0.00 -1.63 -2.51 119.26 124.44 3krp h ALA 6 Ca 0.00 -0.31 0.06 0.00 0.00 0.00 0.00 54.91 54.66 3krp h ALA 6 Cb 0.24 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3krp h ALA 6 CO 0.00 0.26 0.36 0.00 0.00 0.00 0.00 179.25 179.87 3krp h ALA 7 N -0.93 1.72 0.05 0.00 0.00 -1.35 0.13 119.26 118.88 3krp h ALA 7 Ca -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3krp h ALA 7 Cb 0.34 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3krp h ALA 7 CO -0.01 -0.46 -0.02 0.82 0.00 0.00 0.00 179.25 179.58 3krp h ILE 8 N 0.00 0.93 -0.29 0.00 2.04 -1.56 0.52 117.51 119.16 3krp h ILE 8 Ca 0.09 -1.56 0.07 0.00 1.00 0.00 0.00 64.86 64.47 3krp h ILE 8 Cb 0.81 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 38.59 3krp h ILE 8 CO -0.00 0.30 0.20 -0.33 0.00 0.00 0.00 178.15 178.32 3krp h GLU 9 N -0.96 0.05 0.17 2.37 5.08 -0.71 -1.84 114.58 118.74 3krp h GLU 9 Ca -0.01 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3krp h GLU 9 Cb 0.53 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3krp h GLU 9 CO 0.01 0.03 -0.08 0.00 -1.00 0.00 0.00 179.01 177.97 3krp h ALA 10 N 1.86 -0.22 -0.15 3.43 0.00 -0.84 -0.21 119.26 123.12 3krp h ALA 10 Ca 0.13 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.90 3krp h ALA 10 Cb 0.47 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3krp h ALA 10 CO -0.01 -0.26 0.25 -0.44 0.00 0.00 0.00 179.25 178.80 3krp h ASP 11 N -0.96 0.00 0.00 0.00 3.45 -0.64 0.37 116.42 118.63 3krp h ASP 11 Ca -0.02 0.00 -0.08 0.00 0.43 0.00 0.00 57.03 57.36 3krp h ASP 11 Cb 0.45 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.21 3krp h ASP 11 CO 0.04 0.00 -0.45 0.40 -1.57 0.00 0.00 179.24 177.66 3krp h ILE 12 N 0.00 1.37 -0.94 0.35 2.04 -1.35 -2.88 117.51 116.09 3krp h ILE 12 Ca 0.07 -2.20 0.07 0.00 1.00 0.00 0.00 64.86 63.80 3krp h ILE 12 Cb 0.57 2.75 -0.07 0.00 -0.74 0.00 0.00 36.82 39.34 3krp h ILE 12 CO -0.00 0.46 0.60 -0.08 0.00 0.00 0.00 178.15 179.13 3krp h GLU 13 N -1.00 1.04 -0.09 2.37 4.81 0.22 -1.32 114.58 120.61 3krp h GLU 13 Ca -0.12 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.05 3krp h GLU 13 Cb 1.05 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 30.19 3krp h GLU 13 CO -0.07 0.69 0.06 -0.09 -0.73 0.00 0.00 179.01 178.86 3krp h ARG 14 N 1.07 0.12 -0.27 1.92 2.43 -0.44 -0.42 114.38 118.79 3krp h ARG 14 Ca 0.41 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.60 3krp h ARG 14 Cb 0.20 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 3krp h ARG 14 CO -0.18 0.12 0.18 -0.92 -1.51 0.00 0.00 179.97 177.65 3krp h TYR 15 N 0.09 0.24 -0.04 2.20 5.03 -1.18 -0.18 116.97 123.14 3krp h TYR 15 Ca 0.03 0.01 -0.07 0.00 2.58 0.00 0.00 58.73 61.27 3krp h TYR 15 Cb 0.02 -0.08 0.00 0.00 1.55 0.00 0.00 36.73 38.23 3krp h TYR 15 CO -0.06 0.14 -0.27 -0.07 -1.32 0.00 0.00 178.16 176.58 3krp h LEU 16 N 0.25 0.30 -2.01 2.82 3.38 -0.64 -2.52 115.31 116.90 3krp h LEU 16 Ca 0.11 -0.69 -0.02 0.00 0.09 0.00 0.00 57.88 57.37 3krp h LEU 16 Cb 0.13 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 3krp h LEU 16 CO -0.02 0.94 -0.10 0.11 0.09 0.00 0.00 178.44 179.47 3krp h LYS 17 N -0.32 0.00 0.00 1.13 1.57 -0.59 0.25 116.57 118.61 3krp h LYS 17 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3krp h LYS 17 Cb 0.95 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.26 3krp h LYS 17 CO 0.05 0.10 -0.17 -0.22 -0.57 0.00 0.00 179.45 178.64 3krp h LYS 18 N 0.00 0.00 0.00 3.15 3.64 -1.02 -3.35 116.57 118.99 3krp h LYS 18 Ca -0.00 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.06 3krp h LYS 18 Cb 0.29 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.05 3krp h LYS 18 CO 0.01 0.00 -2.22 0.43 -2.27 0.00 0.00 179.45 175.40 3krp n SER 19 N -2.64 0.59 -4.28 4.20 7.64 0.10 -4.74 113.62 114.50 3krp n SER 19 Ca 0.04 0.00 -0.45 0.00 1.01 0.00 0.00 58.87 59.48 3krp n SER 19 Cb 0.49 0.95 -0.04 0.00 -1.01 0.00 0.00 64.21 64.60 3krp n SER 19 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3krp s ILE 20 N -2.44 5.17 -0.52 0.44 1.01 0.65 -5.03 121.20 120.48 3krp s ILE 20 Ca -0.09 -2.52 -0.16 0.00 0.00 0.00 0.00 60.65 57.88 3krp s ILE 20 Cb 0.05 -4.23 0.11 0.00 0.01 0.00 0.00 42.46 38.40 3krp s ILE 20 CO 0.73 -0.99 0.47 -0.89 0.00 0.00 0.00 174.94 174.27 3krp s THR 21 N 0.20 5.21 -0.03 2.92 2.01 -1.26 -4.79 115.64 119.89 3krp s THR 21 Ca 0.17 -1.31 -0.40 0.00 0.31 0.00 0.00 61.69 60.46 3krp s THR 21 Cb -0.13 -4.26 -0.19 0.00 0.01 0.00 0.00 72.50 67.92 3krp s THR 21 CO -0.07 -0.77 1.18 -0.38 -0.69 0.00 0.00 174.62 173.89 3krp n ILE 22 N 5.24 0.01 -3.60 1.82 5.41 -1.26 -4.88 119.36 122.10 3krp n ILE 22 Ca -0.13 -0.00 -0.00 0.00 1.00 0.00 0.00 62.75 63.62 3krp n ILE 22 Cb 0.41 -0.23 0.00 0.00 -0.71 0.00 0.00 39.64 39.12 3krp n ILE 22 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 3krp n ARG 23 N 1.98 0.06 -2.09 0.38 1.85 -1.26 -5.06 116.66 112.52 3krp n ARG 23 Ca 0.21 -0.15 -0.42 0.00 -1.00 0.00 0.00 57.85 56.48 3krp n ARG 23 Cb 0.09 0.21 -0.03 0.00 -1.05 0.00 0.00 32.46 31.69 3krp n ARG 23 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 3krp s PRO 24 N -2.00 4.24 -0.21 2.89 0.04 -1.26 -0.88 135.00 137.81 3krp s PRO 24 Ca 0.03 2.14 -0.17 0.00 0.04 0.00 0.00 61.00 63.04 3krp s PRO 24 Cb -0.00 -3.56 -0.04 0.00 0.04 0.00 0.00 34.50 30.94 3krp s PRO 24 CO 0.00 -0.64 0.45 -1.25 0.04 0.00 0.00 177.00 175.60 3krp s PRO 25 N 2.43 4.15 0.00 0.56 0.04 -1.26 -4.99 135.00 135.93 3krp s PRO 25 Ca 0.68 0.27 0.00 0.00 0.04 0.00 0.00 61.00 62.00 3krp s PRO 25 Cb -0.36 -3.57 0.00 0.00 0.04 0.00 0.00 34.50 30.62 3krp s PRO 25 CO 0.29 -0.13 0.54 0.39 0.04 0.00 0.00 177.00 178.14 3krp n GLU 26 N 4.77 0.00 0.03 4.56 4.71 -0.06 0.22 120.64 134.87 3krp n GLU 26 Ca -0.07 0.14 -0.05 0.00 -0.01 0.00 0.00 57.16 57.18 3krp n GLU 26 Cb 0.51 -1.58 -0.10 0.00 -1.01 0.00 0.00 31.44 29.26 3krp n GLU 26 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3krp h THR 27 N 0.00 0.95 0.00 2.62 1.03 -1.98 -1.97 112.91 113.57 3krp h THR 27 Ca 0.00 -2.62 0.00 0.00 -0.01 0.00 0.00 66.41 63.78 3krp h THR 27 Cb 0.16 2.41 0.00 0.00 -1.07 0.00 0.00 68.15 69.65 3krp h THR 27 CO 0.00 0.54 -0.36 0.58 -0.01 0.00 0.00 175.52 176.28 3krp h VAL 28 N 0.00 0.00 0.00 0.00 2.07 -0.56 -3.39 116.25 114.37 3krp h VAL 28 Ca -0.15 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.58 3krp h VAL 28 Cb 1.76 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 3krp h VAL 28 CO 0.08 0.00 0.00 0.49 0.02 0.00 0.00 177.57 178.16 3krp n PHE 29 N -4.11 0.64 0.04 1.57 3.01 -1.07 -2.03 117.46 115.51 3krp n PHE 29 Ca -0.05 0.24 -0.12 0.00 1.01 0.00 0.00 57.45 58.53 3krp n PHE 29 Cb 0.18 -0.88 -0.07 0.00 -0.01 0.00 0.00 39.48 38.70 3krp n PHE 29 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3krp h GLY 30 N 2.79 -0.01 0.71 1.37 0.00 -1.55 -1.97 103.07 104.42 3krp h GLY 30 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 3krp h GLY 30 CO 0.00 -0.00 -0.57 -2.55 0.00 0.00 0.00 176.54 173.42 3krp h PRO 31 N -0.03 0.36 -1.07 4.80 0.11 -1.70 -2.96 132.00 131.50 3krp h PRO 31 Ca -0.00 -0.40 0.29 0.00 0.11 0.00 0.00 66.00 66.00 3krp h PRO 31 Cb 0.03 0.12 -0.07 0.00 0.11 0.00 0.00 31.00 31.19 3krp h PRO 31 CO 0.00 1.09 0.73 1.98 -0.21 0.00 0.00 178.00 181.59 3krp h MET 32 N -0.21 0.21 0.07 1.05 4.05 -1.39 -0.05 114.93 118.66 3krp h MET 32 Ca -0.08 -0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.33 3krp h MET 32 Cb 1.30 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 32.06 3krp h MET 32 CO 0.11 0.14 -0.03 1.25 0.23 0.00 0.00 176.91 178.60 3krp h HIS 33 N 0.21 -0.09 -0.50 1.39 6.17 -1.40 -3.03 115.15 117.90 3krp h HIS 33 Ca 0.56 -0.00 0.08 0.00 0.71 0.00 0.00 60.37 61.72 3krp h HIS 33 Cb 1.79 0.03 -0.10 0.00 2.52 0.00 0.00 27.41 31.65 3krp h HIS 33 CO -0.00 -0.06 -0.42 1.25 0.71 0.00 0.00 177.93 179.42 3krp h HIS 34 N -0.81 -1.21 -0.08 5.26 6.17 -1.19 -1.25 115.15 122.04 3krp h HIS 34 Ca -0.01 0.07 -0.02 0.00 0.71 0.00 0.00 60.37 61.12 3krp h HIS 34 Cb 0.07 0.60 -0.01 0.00 2.52 0.00 0.00 27.41 30.60 3krp h HIS 34 CO 0.00 -0.42 -0.05 -0.07 0.71 0.00 0.00 177.93 178.10 3krp h LEU 35 N -0.26 0.11 -0.85 0.26 3.38 -1.21 0.13 115.31 116.87 3krp h LEU 35 Ca 0.17 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 3krp h LEU 35 Cb 0.57 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 3krp h LEU 35 CO -0.63 0.18 -0.05 0.74 0.09 0.00 0.00 178.44 178.77 3krp h THR 36 N 0.12 1.25 -0.00 0.22 2.02 -1.10 -3.19 112.91 112.22 3krp h THR 36 Ca 0.03 -1.09 0.00 0.00 0.77 0.00 0.00 66.41 66.12 3krp h THR 36 Cb 0.17 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 3krp h THR 36 CO 0.01 0.38 -0.84 0.49 0.37 0.00 0.00 175.52 175.93 3krp n PHE 37 N -4.19 0.00 0.99 3.16 3.01 -0.99 -4.16 117.46 115.28 3krp n PHE 37 Ca 0.02 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.61 3krp n PHE 37 Cb 0.33 0.00 0.51 0.00 -0.01 0.00 0.00 39.48 40.31 3krp n PHE 37 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3krp n ALA 38 N -1.05 2.68 -2.72 4.37 0.00 0.43 -4.78 120.51 119.45 3krp n ALA 38 Ca 0.06 -0.17 -0.39 0.00 0.00 0.00 0.00 53.44 52.93 3krp n ALA 38 Cb 0.37 -1.37 -0.05 0.00 0.00 0.00 0.00 19.45 18.40 3krp n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3krp s ALA 39 N -3.00 3.37 0.55 0.00 0.00 -1.22 -5.03 121.76 116.42 3krp s ALA 39 Ca 0.13 0.06 -0.20 0.00 0.00 0.00 0.00 51.96 51.95 3krp s ALA 39 Cb 0.18 -2.90 -0.07 0.00 0.00 0.00 0.00 23.12 20.34 3krp s ALA 39 CO 0.58 -0.10 0.97 -0.35 0.00 0.00 0.00 175.76 176.86 3krp n PRO 40 N 3.80 1.05 -1.25 0.00 -0.04 -1.26 -4.91 135.00 132.39 3krp n PRO 40 Ca -0.02 0.39 -0.33 0.00 -0.04 0.00 0.00 63.50 63.50 3krp n PRO 40 Cb 0.51 -2.12 0.11 0.00 -0.04 0.00 0.00 33.50 31.95 3krp n PRO 40 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3krp s ALA 41 N -1.45 2.02 -0.07 0.55 0.00 -1.26 -4.93 121.76 116.62 3krp s ALA 41 Ca 0.71 0.64 0.05 0.00 0.00 0.00 0.00 51.96 53.36 3krp s ALA 41 Cb -0.45 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.25 3krp s ALA 41 CO 0.51 -2.01 -0.22 -0.08 0.00 0.00 0.00 175.76 173.95 3krp s THR 42 N -2.39 2.31 0.59 0.00 -1.32 -1.26 -4.99 115.64 108.57 3krp s THR 42 Ca 0.69 -0.97 0.29 0.00 -1.21 0.00 0.00 61.69 60.48 3krp s THR 42 Cb -0.24 -1.87 0.37 0.00 -1.51 0.00 0.00 72.50 69.25 3krp s THR 42 CO 0.50 0.57 2.03 0.00 -2.21 0.00 0.00 174.62 175.51 3krp h ALA 43 N 6.10 1.94 -0.76 11.08 0.00 -2.00 -2.20 119.26 133.42 3krp h ALA 43 Ca -0.32 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 54.71 3krp h ALA 43 Cb 1.18 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.91 3krp h ALA 43 CO 0.48 -0.44 0.34 0.00 0.00 0.00 0.00 179.25 179.64 3krp h ALA 44 N 1.66 1.08 -0.16 0.00 0.00 -1.92 0.48 119.26 120.40 3krp h ALA 44 Ca 0.13 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 3krp h ALA 44 Cb 0.73 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3krp h ALA 44 CO -0.00 -0.14 -0.01 0.77 0.00 0.00 0.00 179.25 179.87 3krp h SER 45 N 0.52 0.28 0.04 0.00 0.02 -1.68 -1.00 113.55 111.74 3krp h SER 45 Ca 0.41 -0.32 0.03 0.00 -0.84 0.00 0.00 61.79 61.06 3krp h SER 45 Cb 0.56 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.99 3krp h SER 45 CO -0.36 0.53 -0.24 0.74 -1.14 0.00 0.00 176.83 176.36 3krp h THR 46 N 0.02 0.45 -0.30 -2.27 2.02 -1.41 -1.01 112.91 110.41 3krp h THR 46 Ca 0.04 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.31 3krp h THR 46 Cb 0.39 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 3krp h THR 46 CO 0.01 0.00 0.23 0.25 0.37 0.00 0.00 175.52 176.38 3krp h LEU 47 N -0.40 0.00 -0.05 2.58 5.85 0.02 -1.29 115.31 122.02 3krp h LEU 47 Ca 0.05 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 3krp h LEU 47 Cb 0.46 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 3krp h LEU 47 CO -0.19 0.00 -0.00 0.00 -0.34 0.00 0.00 178.44 177.91 3krp h LEU 49 N -0.21 0.55 -0.46 0.00 3.38 -1.01 -2.67 115.31 114.89 3krp h LEU 49 Ca 0.01 -0.36 0.07 0.00 0.09 0.00 0.00 57.88 57.69 3krp h LEU 49 Cb 0.34 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.88 3krp h LEU 49 CO 0.00 0.79 0.10 0.00 0.09 0.00 0.00 178.44 179.42 3krp h ALA 50 N 0.78 0.51 -0.86 1.53 0.00 -1.26 -1.09 119.26 118.87 3krp h ALA 50 Ca 0.07 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3krp h ALA 50 Cb 0.54 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 3krp h ALA 50 CO 0.03 -0.31 0.48 0.00 0.00 0.00 0.00 179.25 179.45 3krp h ALA 51 N 1.35 1.10 0.72 0.00 0.00 -1.23 -0.77 119.26 120.43 3krp h ALA 51 Ca 0.22 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3krp h ALA 51 Cb 0.28 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3krp h ALA 51 CO -0.29 0.60 -0.48 0.00 0.00 0.00 0.00 179.25 179.08 3krp h GLU 53 N -1.14 0.00 -0.09 0.00 5.08 -1.24 -0.94 114.58 116.26 3krp h GLU 53 Ca -0.10 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 3krp h GLU 53 Cb 0.92 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.17 3krp h GLU 53 CO 0.07 0.00 -0.04 1.25 -1.00 0.00 0.00 179.01 179.30 3krp h LEU 54 N 0.00 0.18 0.00 1.33 5.85 -0.30 -2.56 115.31 119.81 3krp h LEU 54 Ca 0.08 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.40 3krp h LEU 54 Cb 0.49 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.47 3krp h LEU 54 CO -0.00 0.54 0.00 1.33 -0.34 0.00 0.00 178.44 179.97 3krp n VAL 55 N -4.76 0.58 0.00 1.05 0.24 -0.82 -4.84 118.33 109.78 3krp n VAL 55 Ca -0.07 0.15 0.00 0.00 -2.04 0.00 0.00 64.34 62.38 3krp n VAL 55 Cb 0.25 -0.87 0.00 0.00 -1.47 0.00 0.00 33.84 31.76 3krp n VAL 55 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3krp n GLY 56 N 0.15 0.68 3.77 7.63 0.00 -0.96 -4.83 105.19 111.62 3krp n GLY 56 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 3krp n GLY 56 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3krp s GLY 57 N -1.22 1.63 -0.02 -0.02 0.00 -0.42 -4.91 107.32 102.36 3krp s GLY 57 Ca 0.00 -0.09 -0.23 0.00 0.00 0.00 0.00 44.72 44.40 3krp s GLY 57 CO 0.00 0.34 0.70 -0.35 0.00 0.00 0.00 173.10 173.78 3krp s ASP 58 N -3.69 7.05 0.28 1.64 -1.08 -1.26 -3.62 116.67 115.98 3krp s ASP 58 Ca 0.61 1.26 -0.03 0.00 -0.52 0.00 0.00 52.55 53.87 3krp s ASP 58 Cb -0.16 -2.42 0.57 0.00 -1.46 0.00 0.00 42.92 39.46 3krp s ASP 58 CO 0.55 -0.03 1.47 -1.14 0.52 0.00 0.00 175.17 176.54 3krp n ARG 59 N 3.26 -0.08 -0.13 4.34 0.63 -1.26 -1.01 116.66 122.41 3krp n ARG 59 Ca -0.03 1.44 0.09 0.00 -0.92 0.00 0.00 57.85 58.43 3krp n ARG 59 Cb 0.51 -2.21 0.43 0.00 0.45 0.00 0.00 32.46 31.64 3krp n ARG 59 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3krp h SER 60 N 0.00 0.50 -0.77 6.15 4.64 -1.98 -2.45 113.55 119.64 3krp h SER 60 Ca 0.51 0.01 0.22 0.00 -0.47 0.00 0.00 61.79 62.06 3krp h SER 60 Cb 0.93 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.89 3krp h SER 60 CO -0.93 0.31 0.58 1.56 -0.87 0.00 0.00 176.83 177.48 3krp h GLN 61 N 0.57 0.00 -0.01 4.77 4.20 -1.46 -0.61 115.11 122.56 3krp h GLN 61 Ca 0.29 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.99 3krp h GLN 61 Cb 0.41 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.18 3krp h GLN 61 CO -0.09 0.00 -0.45 0.00 -0.67 0.00 0.00 178.83 177.62 3krp n ALA 62 N -2.65 3.61 0.06 3.87 0.00 -0.93 -4.68 120.51 119.79 3krp n ALA 62 Ca 0.16 -3.26 -0.22 0.00 0.00 0.00 0.00 53.44 50.11 3krp n ALA 62 Cb 0.86 -0.37 -0.15 0.00 0.00 0.00 0.00 19.45 19.80 3krp n ALA 62 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3krp h MET 63 N 0.94 0.35 -0.73 0.00 -1.53 -1.05 -2.41 114.93 110.51 3krp h MET 63 Ca 0.01 -0.60 -0.01 0.00 -3.44 0.00 0.00 59.70 55.66 3krp h MET 63 Cb 1.03 0.22 -0.04 0.00 -0.55 0.00 0.00 31.60 32.27 3krp h MET 63 CO 0.02 1.29 0.43 0.00 0.14 0.00 0.00 176.91 178.78 3krp h ALA 64 N 0.06 0.93 -0.04 0.39 0.00 -1.83 0.37 119.26 119.13 3krp h ALA 64 Ca -0.28 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 3krp h ALA 64 Cb 1.92 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 19.41 3krp h ALA 64 CO 0.15 0.41 0.02 0.00 0.00 0.00 0.00 179.25 179.83 3krp h ALA 65 N 1.22 0.06 -0.76 0.00 0.00 -1.87 0.38 119.26 118.30 3krp h ALA 65 Ca 0.26 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.10 3krp h ALA 65 Cb -0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3krp h ALA 65 CO -0.05 -0.35 0.50 0.00 0.00 0.00 0.00 179.25 179.35 3krp h ALA 66 N 0.85 1.49 -0.32 0.00 0.00 -1.20 0.29 119.26 120.36 3krp h ALA 66 Ca 0.01 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3krp h ALA 66 Cb 0.17 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3krp h ALA 66 CO -0.00 0.46 0.01 0.00 0.00 0.00 0.00 179.25 179.71 3krp h ALA 67 N 1.54 0.44 -0.88 0.00 0.00 -0.52 -2.26 119.26 117.57 3krp h ALA 67 Ca 0.29 -0.23 0.09 0.00 0.00 0.00 0.00 54.91 55.06 3krp h ALA 67 Cb -0.06 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.54 3krp h ALA 67 CO -0.07 0.18 0.52 0.00 0.00 0.00 0.00 179.25 179.89 3krp h ALA 68 N 0.85 1.26 -0.42 0.00 0.00 0.16 -1.51 119.26 119.60 3krp h ALA 68 Ca 0.09 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 3krp h ALA 68 Cb 0.43 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3krp h ALA 68 CO 0.02 0.17 -0.10 0.82 0.00 0.00 0.00 179.25 180.16 3krp h ILE 69 N 0.89 1.27 -0.69 0.00 2.04 -0.29 -2.30 117.51 118.44 3krp h ILE 69 Ca 0.42 -1.20 -0.06 0.00 1.00 0.00 0.00 64.86 65.01 3krp h ILE 69 Cb 0.35 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 3krp h ILE 69 CO -0.23 0.41 0.18 -0.74 0.00 0.00 0.00 178.15 177.76 3krp h HIS 70 N 0.64 1.12 -0.26 1.37 2.76 -0.85 -0.80 115.15 119.12 3krp h HIS 70 Ca 0.11 -0.12 0.02 0.00 -2.20 0.00 0.00 60.37 58.18 3krp h HIS 70 Cb 0.63 -0.32 -0.03 0.00 1.55 0.00 0.00 27.41 29.25 3krp h HIS 70 CO 0.05 0.91 0.10 -0.07 -1.30 0.00 0.00 177.93 177.61 3krp h LEU 71 N 1.03 0.12 -0.52 0.26 3.38 -1.18 0.99 115.31 119.39 3krp h LEU 71 Ca 0.22 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.18 3krp h LEU 71 Cb 0.34 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3krp h LEU 71 CO -0.00 0.10 0.22 0.58 0.09 0.00 0.00 178.44 179.43 3krp h VAL 72 N 0.22 1.21 0.35 1.22 2.07 -1.18 0.24 116.25 120.39 3krp h VAL 72 Ca 0.11 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 3krp h VAL 72 Cb 0.07 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 3krp h VAL 72 CO -0.11 0.25 -0.17 -0.74 0.02 0.00 0.00 177.57 176.82 3krp h HIS 73 N 0.70 -0.44 -0.00 1.57 -0.00 -0.58 -1.65 115.15 114.76 3krp h HIS 73 Ca 0.18 -0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.56 3krp h HIS 73 Cb 0.18 0.14 -0.06 0.00 -0.00 0.00 0.00 27.41 27.68 3krp h HIS 73 CO 0.00 -0.25 -0.50 0.00 -0.00 0.00 0.00 177.93 177.18 3krp h ALA 74 N 0.14 -0.86 -0.54 5.26 0.00 0.13 0.27 119.26 123.65 3krp h ALA 74 Ca -0.05 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 54.90 3krp h ALA 74 Cb 0.38 0.89 -0.10 0.00 0.00 0.00 0.00 17.79 18.96 3krp h ALA 74 CO 0.08 -1.06 -0.09 0.00 0.00 0.00 0.00 179.25 178.18 3krp h ALA 75 N -0.29 0.42 -0.48 0.00 0.00 -0.52 -0.74 119.26 117.64 3krp h ALA 75 Ca 0.02 0.20 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 3krp h ALA 75 Cb 0.71 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 3krp h ALA 75 CO -0.35 -0.42 0.05 0.00 0.00 0.00 0.00 179.25 178.53 3krp h ALA 76 N 1.53 1.18 -0.45 0.00 0.00 -0.53 -2.23 119.26 118.76 3krp h ALA 76 Ca 0.27 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3krp h ALA 76 Cb 0.42 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3krp h ALA 76 CO -0.53 0.54 0.21 -0.92 0.00 0.00 0.00 179.25 178.55 3krp h TYR 77 N 0.73 0.66 0.63 0.00 3.20 0.64 -1.28 116.97 121.56 3krp h TYR 77 Ca 0.15 -0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.95 3krp h TYR 77 Cb 0.37 -0.20 0.01 0.00 1.54 0.00 0.00 36.73 38.45 3krp h TYR 77 CO 0.02 0.55 -0.31 0.28 -1.64 0.00 0.00 178.16 177.06 3krp h VAL 78 N 0.59 0.37 -0.47 1.81 2.07 -0.96 -2.88 116.25 116.78 3krp h VAL 78 Ca 0.15 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.79 3krp h VAL 78 Cb 0.14 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 3krp h VAL 78 CO -0.02 0.00 0.33 0.45 0.02 0.00 0.00 177.57 178.35 3krp h HIS 79 N -0.86 0.14 0.00 1.57 3.86 -1.28 0.27 115.15 118.86 3krp h HIS 79 Ca -0.09 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.13 3krp h HIS 79 Cb 0.66 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.09 3krp h HIS 79 CO -0.03 0.06 0.00 -0.85 0.86 0.00 0.00 177.93 177.97 3krp n GLU 80 N -4.43 0.99 0.00 2.45 0.28 -0.49 -3.11 120.64 116.33 3krp n GLU 80 Ca 0.08 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 57.09 3krp n GLU 80 Cb 0.45 -1.36 -0.01 0.00 1.43 0.00 0.00 31.44 31.95 3krp n GLU 80 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 3krp n HIS 81 N -0.86 0.00 -1.70 -1.84 8.25 0.94 -5.03 115.22 114.97 3krp n HIS 81 Ca 0.17 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.20 3krp n HIS 81 Cb 0.08 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.18 3krp n HIS 81 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3krp n LEU 82 N -0.63 3.61 -4.69 2.41 4.77 -1.05 -4.92 117.00 116.50 3krp n LEU 82 Ca 0.01 1.18 -0.42 0.00 -0.03 0.00 0.00 56.01 56.75 3krp n LEU 82 Cb 0.05 -1.49 -0.03 0.00 -2.33 0.00 0.00 43.42 39.62 3krp n LEU 82 CO 0.04 -0.36 0.83 -2.16 -1.33 0.00 0.00 177.39 174.41 3krp s PRO 83 N -1.32 4.43 -0.07 3.23 0.04 -1.26 -5.03 135.00 135.01 3krp s PRO 83 Ca 0.60 1.52 0.01 0.00 0.04 0.00 0.00 61.00 63.17 3krp s PRO 83 Cb -0.58 -3.51 -0.03 0.00 0.04 0.00 0.00 34.50 30.42 3krp s PRO 83 CO 0.57 -0.30 -0.07 -0.51 0.04 0.00 0.00 177.00 176.73 3krp s LEU 84 N 1.79 3.15 0.05 -3.56 1.43 -1.26 -5.04 118.68 115.24 3krp s LEU 84 Ca 0.52 -0.04 -0.11 0.00 -1.03 0.00 0.00 54.13 53.48 3krp s LEU 84 Cb -0.22 -1.69 -0.31 0.00 0.03 0.00 0.00 46.19 44.00 3krp s LEU 84 CO 0.22 0.35 1.08 0.71 0.23 0.00 0.00 176.35 178.94 3krp h THR 85 N 4.30 1.37 0.00 5.49 1.35 -1.99 -3.30 112.91 120.12 3krp h THR 85 Ca -0.48 -2.81 0.00 0.00 -0.55 0.00 0.00 66.41 62.57 3krp h THR 85 Cb 1.17 2.95 0.00 0.00 -1.73 0.00 0.00 68.15 70.54 3krp h THR 85 CO 0.53 0.83 0.00 -0.90 -0.25 0.00 0.00 175.52 175.73 3krp n ASP 86 N -3.66 0.00 -2.50 5.36 5.75 -1.26 -4.87 116.55 115.37 3krp n ASP 86 Ca -0.13 -0.86 -0.17 0.00 -0.01 0.00 0.00 54.79 53.63 3krp n ASP 86 Cb 1.05 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 41.14 3krp n ASP 86 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3krp n GLY 87 N 0.59 -0.50 0.15 6.12 0.00 -1.25 -4.83 105.19 105.47 3krp n GLY 87 Ca 0.18 0.01 0.01 0.00 0.00 0.00 0.00 46.02 46.22 3krp n GLY 87 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3krp h SER 88 N -0.12 0.00 -3.63 1.61 4.64 -1.89 -3.40 113.55 110.76 3krp h SER 88 Ca -0.39 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.25 3krp h SER 88 Cb 1.29 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 63.13 3krp h SER 88 CO 0.46 0.55 -0.57 -0.60 -0.87 0.00 0.00 176.83 175.80 3krp s ARG 89 N -3.48 3.13 0.30 4.77 3.52 -1.26 -5.07 118.95 120.86 3krp s ARG 89 Ca -0.00 -0.85 -0.27 0.00 -0.13 0.00 0.00 55.73 54.47 3krp s ARG 89 Cb 0.11 -3.52 -0.14 0.00 -1.56 0.00 0.00 34.95 29.84 3krp s ARG 89 CO 0.74 -0.49 0.90 -0.35 -0.81 0.00 0.00 175.30 175.29 3krp n PRO 90 N 4.94 1.10 -2.19 5.12 -0.04 -1.26 -4.84 135.00 137.82 3krp n PRO 90 Ca -0.14 0.39 -0.41 0.00 -0.04 0.00 0.00 63.50 63.30 3krp n PRO 90 Cb 0.48 -1.71 -0.03 0.00 -0.04 0.00 0.00 33.50 32.20 3krp n PRO 90 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3krp s VAL 91 N -1.10 3.61 -0.28 0.52 -7.23 -1.26 -4.98 120.40 109.68 3krp s VAL 91 Ca 0.60 0.54 -0.29 0.00 -1.81 0.00 0.00 61.98 61.02 3krp s VAL 91 Cb -0.72 -4.06 0.01 0.00 0.56 0.00 0.00 36.38 32.18 3krp s VAL 91 CO 0.59 -0.83 1.07 -0.94 -0.31 0.00 0.00 175.10 174.68 3krp s SER 92 N 5.75 6.99 0.58 4.85 1.04 -1.26 -4.92 113.70 126.72 3krp s SER 92 Ca 0.65 1.19 0.29 0.00 0.48 0.00 0.00 55.95 58.57 3krp s SER 92 Cb -0.15 -2.54 1.44 0.00 0.10 0.00 0.00 66.02 64.87 3krp s SER 92 CO 0.27 -0.80 1.84 0.11 0.98 0.00 0.00 173.24 175.65 3krp h LYS 93 N 7.88 0.00 -3.43 4.02 1.57 -2.04 -3.22 116.57 121.35 3krp h LYS 93 Ca -0.20 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.02 3krp h LYS 93 Cb 1.06 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.39 3krp h LYS 93 CO 1.01 0.00 3.14 -0.35 -0.57 0.00 0.00 179.45 182.68 3krp n PRO 94 N -3.77 2.76 -1.72 3.15 -0.04 -1.26 -4.88 135.00 129.24 3krp n PRO 94 Ca 0.12 -1.92 -0.39 0.00 -0.04 0.00 0.00 63.50 61.27 3krp n PRO 94 Cb 0.80 -2.73 -0.03 0.00 -0.04 0.00 0.00 33.50 31.50 3krp n PRO 94 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3krp s ALA 95 N 3.05 2.17 0.67 0.55 0.00 -1.22 -4.97 121.76 122.00 3krp s ALA 95 Ca 0.54 0.11 -0.12 0.00 0.00 0.00 0.00 51.96 52.49 3krp s ALA 95 Cb 0.14 -4.23 -0.00 0.00 0.00 0.00 0.00 23.12 19.03 3krp s ALA 95 CO -0.04 -3.71 1.06 0.96 0.00 0.00 0.00 175.76 174.04 3krp s ILE 96 N 9.95 4.03 0.25 0.00 -4.36 -1.26 -5.01 121.20 124.79 3krp s ILE 96 Ca 0.90 0.72 -0.29 0.00 -0.26 0.00 0.00 60.65 61.72 3krp s ILE 96 Cb -0.21 -3.42 -0.09 0.00 1.25 0.00 0.00 42.46 39.99 3krp s ILE 96 CO 0.28 -0.80 0.93 -1.10 0.24 0.00 0.00 174.94 174.49 3krp s GLN 97 N -4.85 4.79 -0.41 0.37 -1.52 -1.26 -5.03 119.66 111.75 3krp s GLN 97 Ca 0.59 1.44 -0.05 0.00 -1.95 0.00 0.00 55.36 55.39 3krp s GLN 97 Cb -0.14 -3.20 0.10 0.00 -0.22 0.00 0.00 33.01 29.54 3krp s GLN 97 CO 0.51 0.49 0.21 -1.01 -0.25 0.00 0.00 175.29 175.24 3krp s HIS 98 N -1.25 3.49 -0.01 0.91 3.76 -1.26 -4.95 115.29 115.98 3krp s HIS 98 Ca 0.42 -2.13 -0.12 0.00 -0.15 0.00 0.00 55.06 53.08 3krp s HIS 98 Cb -0.25 -3.08 -0.06 0.00 1.11 0.00 0.00 32.58 30.30 3krp s HIS 98 CO 0.30 -0.93 0.73 -0.22 -0.85 0.00 0.00 174.74 173.77 3krp h LYS 99 N 8.15 -0.40 -7.58 1.40 3.64 -2.05 -3.45 116.57 116.28 3krp h LYS 99 Ca -0.17 0.03 -0.47 0.00 -1.27 0.00 0.00 60.65 58.78 3krp h LYS 99 Cb 1.06 0.09 0.10 0.00 -0.41 0.00 0.00 32.23 33.07 3krp h LYS 99 CO 0.71 -0.27 0.38 0.71 -2.27 0.00 0.00 179.45 178.71 3krp s TYR 100 N -3.16 2.82 0.65 1.91 2.02 -1.26 -5.08 117.35 115.26 3krp s TYR 100 Ca -0.06 0.66 -0.04 0.00 -0.37 0.00 0.00 57.07 57.26 3krp s TYR 100 Cb 0.01 -3.50 0.06 0.00 -0.40 0.00 0.00 41.96 38.13 3krp s TYR 100 CO 0.18 -1.79 0.93 0.20 -1.57 0.00 0.00 175.55 173.51 3krp s GLY 101 N -4.60 1.74 0.28 0.71 0.00 -1.26 -4.89 107.32 99.31 3krp s GLY 101 Ca 0.63 -1.11 0.01 0.00 0.00 0.00 0.00 44.72 44.24 3krp s GLY 101 CO 0.49 -0.74 1.81 -2.55 0.00 0.00 0.00 173.10 172.10 3krp h PRO 102 N -0.37 0.83 -0.44 2.90 0.11 -1.98 -1.33 132.00 131.72 3krp h PRO 102 Ca -0.43 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.52 3krp h PRO 102 Cb 1.31 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 3krp h PRO 102 CO 0.56 0.55 -0.18 -2.95 -0.21 0.00 0.00 178.00 175.77 3krp h ASN 103 N 0.86 0.86 0.37 -2.05 7.08 -2.00 -2.24 115.58 118.47 3krp h ASN 103 Ca 0.49 -0.30 -0.21 0.00 -3.08 0.00 0.00 56.30 53.21 3krp h ASN 103 Cb 0.58 -0.24 -0.00 0.00 -2.08 0.00 0.00 38.32 36.58 3krp h ASN 103 CO -0.30 1.03 -0.87 0.58 -2.08 0.00 0.00 177.43 175.78 3krp h VAL 104 N 0.75 1.42 0.38 6.14 2.07 -1.85 -2.64 116.25 122.52 3krp h VAL 104 Ca 0.11 -2.40 -0.02 0.00 0.82 0.00 0.00 66.70 65.21 3krp h VAL 104 Cb 0.71 2.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.83 3krp h VAL 104 CO 0.05 0.71 -0.18 -0.33 0.02 0.00 0.00 177.57 177.84 3krp h GLU 105 N 0.22 -0.49 -0.29 1.57 5.08 -1.22 -0.45 114.58 119.00 3krp h GLU 105 Ca -0.06 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.39 3krp h GLU 105 Cb 1.49 0.11 -0.08 0.00 0.50 0.00 0.00 28.75 30.77 3krp h GLU 105 CO 0.15 -0.20 -0.45 1.25 -1.00 0.00 0.00 179.01 178.76 3krp h LEU 106 N -0.78 -1.47 -1.43 1.33 5.85 -1.48 0.23 115.31 117.57 3krp h LEU 106 Ca -0.05 0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 3krp h LEU 106 Cb 0.52 0.62 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 3krp h LEU 106 CO 0.09 -0.40 0.17 -0.07 -0.34 0.00 0.00 178.44 177.88 3krp h LEU 107 N -0.42 0.50 -0.43 2.25 3.38 -1.49 -1.85 115.31 117.25 3krp h LEU 107 Ca 0.10 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 3krp h LEU 107 Cb 0.61 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3krp h LEU 107 CO -0.51 0.45 -0.11 0.74 0.09 0.00 0.00 178.44 179.10 3krp h THR 108 N 0.56 1.27 -0.28 0.22 2.02 0.02 -0.45 112.91 116.27 3krp h THR 108 Ca 0.14 -1.22 0.01 0.00 0.77 0.00 0.00 66.41 66.11 3krp h THR 108 Cb 0.10 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 3krp h THR 108 CO -0.02 0.41 0.19 1.23 0.37 0.00 0.00 175.52 177.71 3krp h GLY 109 N 0.65 0.37 1.95 2.16 0.00 -0.05 0.46 103.07 108.61 3krp h GLY 109 Ca 0.11 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.30 3krp h GLY 109 CO 0.04 0.13 -0.03 1.22 0.00 0.00 0.00 176.54 177.90 3krp n ASP 110 N -4.50 0.35 -0.06 0.19 8.00 -0.75 -3.11 116.55 116.68 3krp n ASP 110 Ca 0.02 0.50 -0.15 0.00 0.71 0.00 0.00 54.79 55.86 3krp n ASP 110 Cb 0.10 -0.57 -0.14 0.00 -0.02 0.00 0.00 41.12 40.48 3krp n ASP 110 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3krp n GLY 111 N 1.42 -0.71 0.09 0.44 0.00 0.12 -4.34 105.19 102.22 3krp n GLY 111 Ca 0.06 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 3krp n GLY 111 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3krp h ILE 112 N 0.02 1.24 -0.09 -0.61 2.04 -0.38 -3.01 117.51 116.72 3krp h ILE 112 Ca -0.46 -0.77 0.04 0.00 1.00 0.00 0.00 64.86 64.67 3krp h ILE 112 Cb 2.04 1.54 -0.05 0.00 -0.74 0.00 0.00 36.82 39.61 3krp h ILE 112 CO 0.02 0.22 -0.25 0.58 0.00 0.00 0.00 178.15 178.73 3krp h VAL 113 N -0.07 0.42 -0.06 1.67 2.07 -1.77 -1.63 116.25 116.87 3krp h VAL 113 Ca 0.03 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.50 3krp h VAL 113 Cb 0.34 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 3krp h VAL 113 CO 0.00 0.00 -0.21 1.55 0.02 0.00 0.00 177.57 178.94 3krp h PRO 114 N -0.34 0.10 -0.68 1.57 0.13 -1.76 -2.39 132.00 128.64 3krp h PRO 114 Ca 0.09 -0.03 0.12 0.00 -0.87 0.00 0.00 66.00 65.31 3krp h PRO 114 Cb 0.46 -0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.54 3krp h PRO 114 CO -0.28 0.31 0.46 0.35 -0.23 0.00 0.00 178.00 178.61 3krp h PHE 115 N 0.10 0.48 -0.21 1.56 -0.00 -1.16 -0.64 116.94 117.06 3krp h PHE 115 Ca 0.02 0.01 0.03 0.00 -0.00 0.00 0.00 57.97 58.03 3krp h PHE 115 Cb 0.43 -0.15 -0.03 0.00 -0.00 0.00 0.00 35.95 36.19 3krp h PHE 115 CO 0.00 0.20 0.03 0.78 -0.00 0.00 0.00 178.31 179.32 3krp h GLY 116 N 0.43 0.22 1.96 2.40 0.00 -1.13 -0.71 103.07 106.25 3krp h GLY 116 Ca 0.33 -0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.55 3krp h GLY 116 CO -0.10 -0.02 -0.48 0.74 0.00 0.00 0.00 176.54 176.69 3krp h PHE 117 N 0.10 0.05 0.19 5.60 0.04 -1.27 -1.67 116.94 119.98 3krp h PHE 117 Ca 0.10 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.85 3krp h PHE 117 Cb 0.11 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.24 3krp h PHE 117 CO -0.16 0.51 -0.11 1.49 -0.60 0.00 0.00 178.31 179.44 3krp h GLU 118 N 0.03 -0.28 -0.62 1.51 4.81 -0.61 0.24 114.58 119.66 3krp h GLU 118 Ca -0.00 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.33 3krp h GLU 118 Cb 0.86 0.06 -0.06 0.00 0.63 0.00 0.00 28.75 30.24 3krp h GLU 118 CO 0.06 -0.19 0.29 -0.07 -0.73 0.00 0.00 179.01 178.37 3krp h LEU 119 N -0.29 0.36 0.69 1.64 3.38 -0.83 0.97 115.31 121.23 3krp h LEU 119 Ca -0.02 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3krp h LEU 119 Cb 0.24 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.00 3krp h LEU 119 CO 0.02 0.22 -0.33 -0.07 0.09 0.00 0.00 178.44 178.37 3krp h LEU 120 N 0.51 -0.79 -0.91 1.67 3.38 -0.78 -0.62 115.31 117.77 3krp h LEU 120 Ca 0.30 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.38 3krp h LEU 120 Cb 0.31 0.20 -0.07 0.00 0.09 0.00 0.00 40.66 41.19 3krp h LEU 120 CO -0.25 -0.55 0.57 0.00 0.09 0.00 0.00 178.44 178.29 3krp h ALA 121 N -1.55 1.29 0.00 1.53 0.00 -0.39 -1.06 119.26 119.09 3krp h ALA 121 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3krp h ALA 121 Cb 0.71 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3krp h ALA 121 CO 0.16 0.28 0.00 0.41 0.00 0.00 0.00 179.25 180.09 3krp n GLY 122 N -1.34 -0.77 1.05 0.00 0.00 0.33 -3.21 105.19 101.26 3krp n GLY 122 Ca 0.14 -0.13 0.08 0.00 0.00 0.00 0.00 46.02 46.11 3krp n GLY 122 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3krp n SER 123 N -0.93 4.03 -4.63 1.61 3.41 -0.25 -4.97 113.62 111.88 3krp n SER 123 Ca 0.16 -2.73 -0.43 0.00 -0.26 0.00 0.00 58.87 55.61 3krp n SER 123 Cb 0.07 -0.50 -0.02 0.00 -0.26 0.00 0.00 64.21 63.50 3krp n SER 123 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3krp s VAL 124 N -2.32 4.20 -0.36 -3.33 1.01 -1.20 -4.98 120.40 113.42 3krp s VAL 124 Ca 0.41 1.37 -0.24 0.00 0.00 0.00 0.00 61.98 63.51 3krp s VAL 124 Cb 0.30 -4.17 0.01 0.00 0.00 0.00 0.00 36.38 32.52 3krp s VAL 124 CO 0.13 -0.44 0.85 -0.62 0.00 0.00 0.00 175.10 175.02 3krp s ASP 125 N 2.56 6.62 0.06 3.32 -1.08 -1.26 -4.89 116.67 122.00 3krp s ASP 125 Ca 0.55 0.48 0.10 0.00 -0.52 0.00 0.00 52.55 53.16 3krp s ASP 125 Cb -0.17 -2.43 0.45 0.00 -1.46 0.00 0.00 42.92 39.32 3krp s ASP 125 CO 0.21 -0.79 1.31 -0.81 0.52 0.00 0.00 175.17 175.62 3krp n PRO 126 N 6.58 0.03 0.08 4.34 -0.04 -1.26 -1.35 135.00 143.38 3krp n PRO 126 Ca 0.05 0.41 -0.03 0.00 -0.04 0.00 0.00 63.50 63.89 3krp n PRO 126 Cb 0.48 -1.58 -0.07 0.00 -0.04 0.00 0.00 33.50 32.29 3krp n PRO 126 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3krp h ALA 127 N 2.22 0.53 -2.73 0.55 0.00 -2.03 -3.44 119.26 114.36 3krp h ALA 127 Ca 0.00 -0.81 -0.58 0.00 0.00 0.00 0.00 54.91 53.52 3krp h ALA 127 Cb 0.13 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 3krp h ALA 127 CO 0.00 1.05 -0.07 1.03 0.00 0.00 0.00 179.25 181.26 3krp s ARG 128 N -2.80 4.20 0.00 0.00 1.81 -0.46 -5.01 118.95 116.70 3krp s ARG 128 Ca 0.01 0.65 0.20 0.00 -1.72 0.00 0.00 55.73 54.88 3krp s ARG 128 Cb 0.09 -3.28 -0.11 0.00 -0.45 0.00 0.00 34.95 31.19 3krp s ARG 128 CO 0.80 0.52 0.93 0.25 -0.68 0.00 0.00 175.30 177.12 3krp n THR 129 N 2.21 0.00 0.98 0.02 -2.24 -1.26 -4.16 114.28 109.83 3krp n THR 129 Ca -0.10 -0.16 0.10 0.00 -2.27 0.00 0.00 64.05 61.63 3krp n THR 129 Cb 0.51 1.12 -0.07 0.00 -2.10 0.00 0.00 70.33 69.80 3krp n THR 129 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3krp n ASP 130 N -0.75 1.44 -0.31 3.42 8.00 -1.26 -4.48 116.55 122.61 3krp n ASP 130 Ca 0.06 -1.22 0.09 0.00 0.71 0.00 0.00 54.79 54.43 3krp n ASP 130 Cb 0.37 0.77 0.26 0.00 -0.02 0.00 0.00 41.12 42.50 3krp n ASP 130 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3krp h ASP 131 N 1.07 0.60 0.44 -2.24 5.19 -1.88 -2.41 116.42 117.19 3krp h ASP 131 Ca 0.00 0.10 -0.02 0.00 -0.62 0.00 0.00 57.03 56.49 3krp h ASP 131 Cb 0.60 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.12 3krp h ASP 131 CO 0.00 0.23 -0.21 -0.65 -3.12 0.00 0.00 179.24 175.48 3krp h PRO 132 N 0.66 -0.58 -0.18 3.56 0.11 -1.86 -2.30 132.00 131.41 3krp h PRO 132 Ca 0.50 0.04 -0.14 0.00 0.11 0.00 0.00 66.00 66.52 3krp h PRO 132 Cb 0.75 0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 3krp h PRO 132 CO -0.38 -0.35 -0.48 -0.44 -0.21 0.00 0.00 178.00 176.15 3krp h ASP 133 N -0.66 0.50 -0.35 -2.05 3.32 -1.85 -1.70 116.42 113.62 3krp h ASP 133 Ca -0.06 -0.24 -0.12 0.00 0.02 0.00 0.00 57.03 56.63 3krp h ASP 133 Cb 0.49 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 3krp h ASP 133 CO 0.10 0.90 -0.21 0.03 -1.72 0.00 0.00 179.24 178.34 3krp h ARG 134 N 0.37 0.84 0.17 3.56 3.08 -1.48 -1.99 114.38 118.92 3krp h ARG 134 Ca 0.02 -0.34 -0.31 0.00 0.07 0.00 0.00 59.98 59.43 3krp h ARG 134 Cb 0.97 -0.04 0.03 0.00 0.08 0.00 0.00 29.97 31.01 3krp h ARG 134 CO 0.09 0.97 -1.32 0.82 -1.07 0.00 0.00 179.97 179.46 3krp h ILE 135 N 0.73 1.33 -0.68 2.04 2.04 -1.38 -2.39 117.51 119.19 3krp h ILE 135 Ca 0.10 -2.65 0.03 0.00 1.00 0.00 0.00 64.86 63.34 3krp h ILE 135 Cb 0.74 2.85 -0.04 0.00 -0.74 0.00 0.00 36.82 39.63 3krp h ILE 135 CO 0.06 0.80 0.45 0.25 0.00 0.00 0.00 178.15 179.70 3krp h LEU 136 N 0.19 0.71 -0.35 1.44 5.85 -1.29 0.41 115.31 122.27 3krp h LEU 136 Ca -0.20 -0.01 -0.18 0.00 0.84 0.00 0.00 57.88 58.33 3krp h LEU 136 Cb 2.00 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 42.87 3krp h LEU 136 CO 0.24 0.49 -0.55 -0.09 -0.34 0.00 0.00 178.44 178.20 3krp h ARG 137 N 0.83 0.81 -0.21 1.25 2.43 -1.34 -2.58 114.38 115.57 3krp h ARG 137 Ca 0.27 -0.51 -0.12 0.00 -0.81 0.00 0.00 59.98 58.81 3krp h ARG 137 Cb 0.05 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 3krp h ARG 137 CO -0.07 1.14 -0.36 0.28 -1.51 0.00 0.00 179.97 179.44 3krp h VAL 138 N 0.62 1.29 -0.73 0.20 2.07 -0.67 -0.54 116.25 118.49 3krp h VAL 138 Ca 0.01 -1.48 -0.05 0.00 0.82 0.00 0.00 66.70 66.00 3krp h VAL 138 Cb 1.14 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 32.41 3krp h VAL 138 CO 0.12 0.46 0.24 0.40 0.02 0.00 0.00 177.57 178.81 3krp h ILE 139 N 0.38 1.26 0.01 4.57 2.04 -0.15 0.49 117.51 126.11 3krp h ILE 139 Ca 0.04 -0.87 -0.00 0.00 1.00 0.00 0.00 64.86 65.03 3krp h ILE 139 Cb 0.82 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 3krp h ILE 139 CO 0.07 0.35 -0.00 0.40 0.00 0.00 0.00 178.15 178.96 3krp h ILE 140 N 1.08 1.09 -0.81 -0.67 2.04 -1.02 -1.49 117.51 117.74 3krp h ILE 140 Ca 0.24 -0.28 0.06 0.00 1.00 0.00 0.00 64.86 65.88 3krp h ILE 140 Cb 0.28 1.28 -0.06 0.00 -0.74 0.00 0.00 36.82 37.58 3krp h ILE 140 CO -0.01 0.07 0.49 -0.33 0.00 0.00 0.00 178.15 178.37 3krp h GLU 141 N -0.13 0.88 0.04 2.37 4.39 -0.67 -0.46 114.58 121.01 3krp h GLU 141 Ca -0.00 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 3krp h GLU 141 Cb 0.12 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.58 3krp h GLU 141 CO 0.00 0.58 -0.02 0.82 -1.16 0.00 0.00 179.01 179.23 3krp h ILE 142 N 0.90 1.35 -0.23 3.13 2.04 -0.84 -2.20 117.51 121.66 3krp h ILE 142 Ca 0.35 -1.47 -0.02 0.00 1.00 0.00 0.00 64.86 64.72 3krp h ILE 142 Cb 0.16 2.29 -0.01 0.00 -0.74 0.00 0.00 36.82 38.51 3krp h ILE 142 CO -0.17 0.36 0.04 0.77 0.00 0.00 0.00 178.15 179.15 3krp h SER 143 N -0.73 0.30 1.05 1.72 4.64 -1.26 -1.16 113.55 118.12 3krp h SER 143 Ca -0.01 -0.03 -0.12 0.00 -0.47 0.00 0.00 61.79 61.17 3krp h SER 143 Cb 0.63 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.63 3krp h SER 143 CO 0.01 0.32 -0.55 -0.09 -0.87 0.00 0.00 176.83 175.65 3krp h ARG 144 N 0.33 0.00 0.00 4.77 2.43 -1.12 -0.96 114.38 119.82 3krp h ARG 144 Ca 0.08 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.17 3krp h ARG 144 Cb 0.16 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3krp h ARG 144 CO -0.00 0.55 -0.82 0.00 -1.51 0.00 0.00 179.97 178.19 3krp h ALA 145 N 1.45 0.68 0.00 2.80 0.00 -0.70 -3.29 119.26 120.20 3krp h ALA 145 Ca -0.01 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3krp h ALA 145 Cb 1.22 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3krp h ALA 145 CO 0.07 0.45 -0.89 0.41 0.00 0.00 0.00 179.25 179.29 3krp n GLY 146 N 1.24 -1.20 0.00 0.00 0.00 -0.51 -0.84 105.19 103.88 3krp n GLY 146 Ca -0.02 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.60 3krp n GLY 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3krp n GLY 147 N 1.41 -1.99 0.31 -0.02 0.00 -0.37 -3.88 105.19 100.65 3krp n GLY 147 Ca 0.03 -1.52 0.18 0.00 0.00 0.00 0.00 46.02 44.71 3krp n GLY 147 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3krp h PRO 148 N 0.00 0.00 -0.00 1.61 0.13 -1.88 -2.32 132.00 129.54 3krp h PRO 148 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3krp h PRO 148 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3krp h PRO 148 CO 0.00 0.02 -0.60 0.39 -0.23 0.00 0.00 178.00 177.58 3krp n GLU 149 N -3.46 0.04 0.00 0.86 -0.58 -1.26 -3.66 120.64 112.58 3krp n GLU 149 Ca -0.03 -0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 3krp n GLU 149 Cb 0.11 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.49 3krp n GLU 149 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3krp n GLY 150 N 1.49 1.84 0.37 0.62 0.00 -0.89 -4.79 105.19 103.83 3krp n GLY 150 Ca 0.05 -0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.05 3krp n GLY 150 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3krp n MET 151 N 0.00 -0.26 -0.29 1.61 0.00 -0.02 0.11 117.12 118.28 3krp n MET 151 Ca 0.00 1.45 0.10 0.00 -0.00 0.00 0.00 57.70 59.25 3krp n MET 151 Cb 0.00 -2.15 0.25 0.00 0.00 0.00 0.00 33.22 31.32 3krp n MET 151 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 175.97 176.79 3krp h ILE 152 N 0.00 0.53 -0.65 1.12 1.08 -1.62 0.37 117.51 118.35 3krp h ILE 152 Ca 0.30 -0.14 -0.00 0.00 -0.39 0.00 0.00 64.86 64.63 3krp h ILE 152 Cb 0.53 0.09 -0.03 0.00 -3.07 0.00 0.00 36.82 34.35 3krp h ILE 152 CO -0.93 0.07 0.40 -1.28 -0.69 0.00 0.00 178.15 175.73 3krp h SER 153 N 0.40 0.76 -0.07 1.72 0.87 0.73 -0.92 113.55 117.04 3krp h SER 153 Ca 0.50 -0.03 -0.20 0.00 -1.23 0.00 0.00 61.79 60.82 3krp h SER 153 Cb 0.88 -0.19 0.01 0.00 -0.44 0.00 0.00 62.40 62.66 3krp h SER 153 CO -0.49 0.58 -0.75 1.23 -0.53 0.00 0.00 176.83 176.87 3krp h GLY 154 N 0.91 0.71 0.77 5.77 0.00 0.29 -2.80 103.07 108.72 3krp h GLY 154 Ca 0.24 -1.10 0.05 0.00 0.00 0.00 0.00 47.33 46.51 3krp h GLY 154 CO -0.05 0.97 0.40 1.41 0.00 0.00 0.00 176.54 179.28 3krp h LEU 155 N 0.28 0.63 0.71 3.11 3.38 -0.57 -1.33 115.31 121.52 3krp h LEU 155 Ca -0.07 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 3krp h LEU 155 Cb 1.40 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 42.05 3krp h LEU 155 CO 0.15 0.42 -0.34 -0.74 0.09 0.00 0.00 178.44 178.02 3krp h HIS 156 N 0.76 -0.89 -0.36 1.13 2.76 -1.17 -3.16 115.15 114.22 3krp h HIS 156 Ca 0.29 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.43 3krp h HIS 156 Cb 0.11 0.29 -0.02 0.00 1.55 0.00 0.00 27.41 29.34 3krp h HIS 156 CO -0.06 -0.53 0.20 0.00 -1.30 0.00 0.00 177.93 176.24 3krp h ARG 157 N -1.03 0.49 -1.01 5.26 2.47 -1.40 -2.34 114.38 116.82 3krp h ARG 157 Ca -0.10 -0.04 0.25 0.00 -1.26 0.00 0.00 59.98 58.84 3krp h ARG 157 Cb 0.75 -0.10 -0.08 0.00 -1.65 0.00 0.00 29.97 28.89 3krp h ARG 157 CO 0.16 0.36 0.67 1.49 0.56 0.00 0.00 179.97 183.21 3krp h GLU 158 N 0.50 0.34 0.00 0.04 4.81 -1.20 0.29 114.58 119.35 3krp h GLU 158 Ca 0.13 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3krp h GLU 158 Cb 0.01 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.31 3krp h GLU 158 CO -0.02 0.22 0.00 0.39 -0.73 0.00 0.00 179.01 178.87 3krp n GLU 159 N -4.53 0.47 0.00 1.92 1.02 -0.88 -2.05 120.64 116.58 3krp n GLU 159 Ca 0.23 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.44 3krp n GLU 159 Cb 0.86 -1.22 0.01 0.00 -0.02 0.00 0.00 31.44 31.08 3krp n GLU 159 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3krp n GLU 160 N -0.72 1.62 -2.32 3.49 1.02 0.10 -4.79 120.64 119.05 3krp n GLU 160 Ca 0.05 -0.89 -0.42 0.00 -0.02 0.00 0.00 57.16 55.88 3krp n GLU 160 Cb 0.02 -1.21 -0.02 0.00 -0.02 0.00 0.00 31.44 30.20 3krp n GLU 160 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3krp s ILE 161 N -1.55 3.78 -2.00 -3.67 1.01 -0.87 -4.87 121.20 113.04 3krp s ILE 161 Ca 0.13 0.73 0.24 0.00 0.00 0.00 0.00 60.65 61.75 3krp s ILE 161 Cb 0.11 -4.25 0.68 0.00 0.01 0.00 0.00 42.46 39.02 3krp s ILE 161 CO 0.30 -0.92 1.79 0.52 0.00 0.00 0.00 174.94 176.63 3krp n VAL 162 N 7.02 0.00 0.00 2.92 0.31 -1.26 -4.97 118.33 122.35 3krp n VAL 162 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.48 3krp n VAL 162 Cb 0.49 -0.63 0.00 0.00 -0.91 0.00 0.00 33.84 32.79 3krp n VAL 162 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3krp n ASP 163 N -1.00 0.00 0.18 4.52 8.00 -1.26 -3.95 116.55 123.04 3krp n ASP 163 Ca 0.18 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.72 3krp n ASP 163 Cb 0.08 0.00 0.23 0.00 -0.02 0.00 0.00 41.12 41.41 3krp n ASP 163 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3krp h GLY 164 N 0.00 0.00 -5.74 0.44 0.00 -2.01 -2.61 103.07 93.14 3krp h GLY 164 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 3krp h GLY 164 CO 0.00 0.00 -0.98 -2.01 0.00 0.00 0.00 176.54 173.55 3krp n ASN 165 N -2.00 2.21 -3.54 0.19 5.15 -1.25 -5.04 115.26 110.97 3krp n ASN 165 Ca -0.01 -3.26 -0.15 0.00 -0.60 0.00 0.00 54.58 50.57 3krp n ASN 165 Cb 0.52 -0.60 -0.12 0.00 -0.53 0.00 0.00 39.78 39.04 3krp n ASN 165 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3krp s THR 166 N -3.15 -0.40 1.02 -0.44 2.01 -0.99 -4.54 115.64 109.15 3krp s THR 166 Ca 0.43 0.06 -0.15 0.00 0.31 0.00 0.00 61.69 62.34 3krp s THR 166 Cb 0.32 -0.60 0.05 0.00 0.01 0.00 0.00 72.50 72.28 3krp s THR 166 CO -0.10 -0.06 0.18 -1.54 -0.69 0.00 0.00 174.62 172.42 3krp n SER 167 N 5.34 -2.35 0.08 3.53 3.41 -1.26 -4.85 113.62 117.52 3krp n SER 167 Ca -0.05 0.15 -0.11 0.00 -0.26 0.00 0.00 58.87 58.59 3krp n SER 167 Cb 0.50 -1.09 -0.11 0.00 -0.26 0.00 0.00 64.21 63.25 3krp n SER 167 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3krp h LEU 168 N -1.73 0.23 -0.73 1.04 3.38 -1.99 -3.04 115.31 112.47 3krp h LEU 168 Ca -0.47 -0.24 0.10 0.00 0.09 0.00 0.00 57.88 57.36 3krp h LEU 168 Cb 1.31 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.91 3krp h LEU 168 CO 0.35 1.15 0.36 0.44 0.09 0.00 0.00 178.44 180.84 3krp h ASP 169 N 0.05 0.46 -0.03 -0.43 3.32 -2.00 -0.20 116.42 117.59 3krp h ASP 169 Ca -0.07 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 3krp h ASP 169 Cb 1.80 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 41.34 3krp h ASP 169 CO 0.16 0.25 0.01 0.15 -1.72 0.00 0.00 179.24 178.09 3krp h PHE 170 N 0.60 0.05 -0.71 4.55 3.57 -1.92 -2.82 116.94 120.26 3krp h PHE 170 Ca 0.37 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.92 3krp h PHE 170 Cb 0.41 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.08 3krp h PHE 170 CO -0.11 0.23 0.41 0.82 -2.23 0.00 0.00 178.31 177.43 3krp h ILE 171 N -0.16 0.98 -0.47 1.41 2.04 -1.29 -1.35 117.51 118.68 3krp h ILE 171 Ca 0.01 -0.26 0.06 0.00 1.00 0.00 0.00 64.86 65.67 3krp h ILE 171 Cb 0.21 0.17 -0.05 0.00 -0.74 0.00 0.00 36.82 36.40 3krp h ILE 171 CO -0.00 0.14 0.16 -0.08 0.00 0.00 0.00 178.15 178.37 3krp h GLU 172 N 0.75 0.32 0.13 2.37 4.81 -0.98 0.11 114.58 122.10 3krp h GLU 172 Ca 0.32 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.54 3krp h GLU 172 Cb 0.18 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 3krp h GLU 172 CO -0.18 0.21 -0.26 -0.92 -0.73 0.00 0.00 179.01 177.13 3krp h TYR 173 N 0.33 -0.70 -0.93 0.92 3.20 -1.03 1.00 116.97 119.76 3krp h TYR 173 Ca 0.22 0.01 0.16 0.00 3.14 0.00 0.00 58.73 62.27 3krp h TYR 173 Cb 0.23 0.29 -0.08 0.00 1.54 0.00 0.00 36.73 38.71 3krp h TYR 173 CO -0.16 -0.37 0.60 0.28 -1.64 0.00 0.00 178.16 176.87 3krp h VAL 174 N -0.48 0.79 -0.05 1.81 2.07 -0.66 0.20 116.25 119.92 3krp h VAL 174 Ca 0.03 -0.24 -0.19 0.00 0.82 0.00 0.00 66.70 67.12 3krp h VAL 174 Cb 0.50 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.30 3krp h VAL 174 CO -0.14 0.13 -0.78 0.00 0.02 0.00 0.00 177.57 176.79 3krp h LYS 176 N 0.25 0.71 0.12 0.00 3.64 0.34 -0.21 116.57 121.42 3krp h LYS 176 Ca -0.04 -0.20 -0.30 0.00 -1.27 0.00 0.00 60.65 58.84 3krp h LYS 176 Cb 1.38 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 33.11 3krp h LYS 176 CO 0.13 0.75 -1.48 0.87 -2.27 0.00 0.00 179.45 177.45 3krp h LYS 177 N 0.66 0.26 0.09 1.90 6.56 -0.65 0.36 116.57 125.75 3krp h LYS 177 Ca 0.13 -0.44 -0.19 0.00 -1.06 0.00 0.00 60.65 59.08 3krp h LYS 177 Cb 0.47 0.16 0.02 0.00 -0.57 0.00 0.00 32.23 32.32 3krp h LYS 177 CO 0.02 1.14 -0.81 -0.22 -2.06 0.00 0.00 179.45 177.52 3krp h LYS 178 N 0.07 0.39 0.00 3.15 3.64 -0.64 -3.09 116.57 120.10 3krp h LYS 178 Ca -0.22 -0.54 -0.13 0.00 -1.27 0.00 0.00 60.65 58.49 3krp h LYS 178 Cb 2.01 0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 33.99 3krp h LYS 178 CO 0.17 1.21 -1.20 0.66 -2.27 0.00 0.00 179.45 178.03 3krp n TYR 179 N -4.11 0.00 -0.33 1.91 4.02 -0.19 -4.66 117.16 113.80 3krp n TYR 179 Ca -0.13 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.68 3krp n TYR 179 Cb 0.80 -0.35 -0.08 0.00 -0.02 0.00 0.00 39.34 39.69 3krp n TYR 179 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3krp n GLY 180 N 2.40 -2.24 0.24 2.72 0.00 -0.61 -0.77 105.19 106.92 3krp n GLY 180 Ca -0.17 0.98 0.01 0.00 0.00 0.00 0.00 46.02 46.84 3krp n GLY 180 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3krp h GLU 181 N 0.00 0.23 -0.23 1.61 4.39 -1.16 0.33 114.58 119.76 3krp h GLU 181 Ca 0.13 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.79 3krp h GLU 181 Cb 0.32 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 3krp h GLU 181 CO -0.74 0.16 0.07 1.98 -1.16 0.00 0.00 179.01 179.31 3krp h MET 182 N 0.24 0.35 -0.77 2.33 4.05 -1.22 0.43 114.93 120.34 3krp h MET 182 Ca 0.33 -0.08 -0.05 0.00 -0.28 0.00 0.00 59.70 59.62 3krp h MET 182 Cb 0.50 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.22 3krp h MET 182 CO -0.43 0.45 0.30 0.45 0.23 0.00 0.00 176.91 177.91 3krp h HIS 183 N 0.19 1.18 0.39 1.39 3.86 -0.41 0.30 115.15 122.05 3krp h HIS 183 Ca 0.07 -0.09 -0.00 0.00 -1.16 0.00 0.00 60.37 59.18 3krp h HIS 183 Cb 0.25 -0.35 -0.02 0.00 1.06 0.00 0.00 27.41 28.34 3krp h HIS 183 CO 0.01 0.90 -0.40 0.00 0.86 0.00 0.00 177.93 179.30 3krp h ALA 184 N 1.15 -0.86 -0.79 2.45 0.00 -0.12 -1.12 119.26 119.98 3krp h ALA 184 Ca 0.25 -0.14 0.19 0.00 0.00 0.00 0.00 54.91 55.21 3krp h ALA 184 Cb 0.23 0.57 -0.13 0.00 0.00 0.00 0.00 17.79 18.46 3krp h ALA 184 CO -0.02 -1.02 0.09 0.00 0.00 0.00 0.00 179.25 178.30 3krp h GLY 186 N 0.15 -1.23 1.15 0.00 0.00 0.82 0.79 103.07 104.76 3krp h GLY 186 Ca 0.45 0.62 -0.03 0.00 0.00 0.00 0.00 47.33 48.37 3krp h GLY 186 CO -0.64 -0.36 0.34 0.00 0.00 0.00 0.00 176.54 175.88 3krp h ALA 187 N -0.91 1.17 -0.16 3.60 0.00 -1.13 -1.53 119.26 120.30 3krp h ALA 187 Ca 0.00 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.78 3krp h ALA 187 Cb 0.42 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3krp h ALA 187 CO -0.19 0.62 -0.01 0.00 0.00 0.00 0.00 179.25 179.66 3krp h ALA 188 N 1.29 0.12 -0.19 0.00 0.00 -1.13 -1.11 119.26 118.24 3krp h ALA 188 Ca 0.26 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 3krp h ALA 188 Cb 0.14 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3krp h ALA 188 CO -0.03 -0.46 0.09 0.00 0.00 0.00 0.00 179.25 178.85 3krp h GLY 190 N 0.17 0.96 1.10 0.00 0.00 -1.03 -0.17 103.07 104.11 3krp h GLY 190 Ca 0.07 -0.24 -0.23 0.00 0.00 0.00 0.00 47.33 46.93 3krp h GLY 190 CO -0.01 0.07 -0.87 0.00 0.00 0.00 0.00 176.54 175.73 3krp h ALA 191 N 1.62 0.16 0.48 3.60 0.00 -0.75 -1.29 119.26 123.09 3krp h ALA 191 Ca 0.42 -0.64 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 3krp h ALA 191 Cb 0.81 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3krp h ALA 191 CO -0.17 0.60 -0.23 0.82 0.00 0.00 0.00 179.25 180.27 3krp h ILE 192 N 0.31 0.52 -0.02 0.00 2.04 -0.29 -0.57 117.51 119.49 3krp h ILE 192 Ca -0.10 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.65 3krp h ILE 192 Cb 1.53 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 38.18 3krp h ILE 192 CO 0.17 0.02 0.01 -0.07 0.00 0.00 0.00 178.15 178.29 3krp h LEU 193 N -0.72 0.00 -0.88 1.44 3.38 -1.17 -1.02 115.31 116.34 3krp h LEU 193 Ca -0.07 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 3krp h LEU 193 Cb 0.53 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3krp h LEU 193 CO 0.11 0.00 -0.30 1.23 0.09 0.00 0.00 178.44 179.56 3krp h GLY 194 N 0.00 0.51 0.00 0.83 0.00 -0.10 -3.47 103.07 100.84 3krp h GLY 194 Ca 0.01 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.90 3krp h GLY 194 CO -0.00 0.40 0.00 0.61 0.00 0.00 0.00 176.54 177.55 3krp n GLY 195 N -0.27 1.23 3.70 4.60 0.00 -0.33 -4.24 105.19 109.88 3krp n GLY 195 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 3krp n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3krp s ALA 196 N -2.00 1.70 0.52 4.61 0.00 -0.57 -5.03 121.76 120.99 3krp s ALA 196 Ca 0.00 0.62 -0.03 0.00 0.00 0.00 0.00 51.96 52.55 3krp s ALA 196 Cb 0.00 -3.44 -0.00 0.00 0.00 0.00 0.00 23.12 19.68 3krp s ALA 196 CO 0.00 -2.46 0.80 0.00 0.00 0.00 0.00 175.76 174.10 3krp s ALA 197 N -2.53 3.48 0.37 0.00 0.00 -1.26 -4.81 121.76 117.01 3krp s ALA 197 Ca 0.68 -0.80 0.14 0.00 0.00 0.00 0.00 51.96 51.97 3krp s ALA 197 Cb -0.24 -2.43 0.97 0.00 0.00 0.00 0.00 23.12 21.42 3krp s ALA 197 CO 0.55 -0.58 1.79 0.93 0.00 0.00 0.00 175.76 178.46 3krp h GLU 198 N 0.10 0.51 0.37 0.00 4.39 -1.99 -1.15 114.58 116.80 3krp h GLU 198 Ca -0.46 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.21 3krp h GLU 198 Cb 1.25 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.75 3krp h GLU 198 CO 0.60 0.34 -0.49 1.49 -1.16 0.00 0.00 179.01 179.78 3krp h GLU 199 N 0.53 -0.87 -0.18 2.33 4.81 -2.00 -2.21 114.58 116.99 3krp h GLU 199 Ca 0.56 0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.84 3krp h GLU 199 Cb 1.21 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.77 3krp h GLU 199 CO -0.30 -0.58 0.08 0.93 -0.73 0.00 0.00 179.01 178.42 3krp h GLU 200 N -0.90 0.27 -0.69 1.92 5.08 -1.70 -2.53 114.58 116.04 3krp h GLU 200 Ca -0.04 -0.04 0.15 0.00 -1.00 0.00 0.00 59.36 58.43 3krp h GLU 200 Cb 0.82 -0.05 -0.11 0.00 0.50 0.00 0.00 28.75 29.92 3krp h GLU 200 CO -0.14 0.31 0.12 0.82 -1.00 0.00 0.00 179.01 179.13 3krp h ILE 201 N 0.16 0.52 0.25 3.13 2.04 -1.19 0.21 117.51 122.63 3krp h ILE 201 Ca 0.06 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 3krp h ILE 201 Cb 0.13 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 3krp h ILE 201 CO -0.01 0.04 -0.12 -0.61 0.00 0.00 0.00 178.15 177.46 3krp h GLN 202 N 0.23 -0.32 -0.63 2.37 5.75 -1.28 0.13 115.11 121.36 3krp h GLN 202 Ca 0.38 0.02 0.08 0.00 -0.15 0.00 0.00 58.65 58.99 3krp h GLN 202 Cb 0.63 0.07 -0.07 0.00 1.07 0.00 0.00 27.48 29.19 3krp h GLN 202 CO -0.51 -0.07 0.28 -0.22 -2.65 0.00 0.00 178.83 175.66 3krp h LYS 203 N -0.53 0.48 0.00 1.69 3.64 -0.92 0.35 116.57 121.28 3krp h LYS 203 Ca -0.03 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.23 3krp h LYS 203 Cb 0.39 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 3krp h LYS 203 CO 0.06 0.32 -0.41 -0.07 -2.27 0.00 0.00 179.45 177.07 3krp h LEU 204 N 0.49 0.00 -0.44 5.20 3.38 -0.53 -2.12 115.31 121.29 3krp h LEU 204 Ca 0.31 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.13 3krp h LEU 204 Cb 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3krp h LEU 204 CO -0.27 0.41 -0.35 -0.09 0.09 0.00 0.00 178.44 178.23 3krp h ARG 205 N 0.00 0.92 -0.25 1.13 2.43 0.22 -2.43 114.38 116.40 3krp h ARG 205 Ca -0.00 -0.46 -0.08 0.00 -0.81 0.00 0.00 59.98 58.63 3krp h ARG 205 Cb 0.74 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.29 3krp h ARG 205 CO 0.05 1.12 -0.14 -0.91 -1.51 0.00 0.00 179.97 178.57 3krp h ASN 206 N 0.76 0.56 -0.35 -3.80 4.21 -0.19 -2.35 115.58 114.43 3krp h ASN 206 Ca 0.07 -0.42 0.07 0.00 1.21 0.00 0.00 56.30 57.22 3krp h ASN 206 Cb 0.93 -0.16 -0.06 0.00 -1.12 0.00 0.00 38.32 37.92 3krp h ASN 206 CO 0.09 0.86 -0.04 0.15 -1.29 0.00 0.00 177.43 177.21 3krp h PHE 207 N 0.27 -0.09 -0.29 1.19 3.57 -1.37 -1.85 116.94 118.36 3krp h PHE 207 Ca 0.05 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.63 3krp h PHE 207 Cb 0.66 0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.45 3krp h PHE 207 CO 0.07 -0.10 0.03 0.78 -2.23 0.00 0.00 178.31 176.85 3krp h GLY 208 N 0.05 0.30 -0.02 2.40 0.00 -1.38 0.65 103.07 105.08 3krp h GLY 208 Ca 0.17 0.01 0.06 0.00 0.00 0.00 0.00 47.33 47.56 3krp h GLY 208 CO -0.31 -0.04 -0.36 -2.00 0.00 0.00 0.00 176.54 173.82 3krp h LEU 209 N 0.12 -1.16 -0.81 3.11 5.85 -0.80 0.66 115.31 122.28 3krp h LEU 209 Ca 0.14 0.17 -0.08 0.00 0.84 0.00 0.00 57.88 58.95 3krp h LEU 209 Cb 0.17 0.50 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 3krp h LEU 209 CO -0.21 -0.37 -0.00 1.88 -0.34 0.00 0.00 178.44 179.40 3krp h TYR 210 N -0.38 0.95 -0.13 1.25 -1.99 -1.04 -1.56 116.97 114.07 3krp h TYR 210 Ca 0.11 -0.15 0.00 0.00 2.00 0.00 0.00 58.73 60.70 3krp h TYR 210 Cb 0.57 -0.26 -0.01 0.00 2.00 0.00 0.00 36.73 39.04 3krp h TYR 210 CO -0.49 0.87 0.08 0.37 -0.00 0.00 0.00 178.16 178.99 3krp h GLN 211 N 0.82 0.16 -0.14 4.88 5.75 0.16 -1.06 115.11 125.67 3krp h GLN 211 Ca 0.15 -0.01 -0.12 0.00 -0.15 0.00 0.00 58.65 58.53 3krp h GLN 211 Cb 0.49 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.00 3krp h GLN 211 CO 0.02 0.11 -0.43 0.78 -2.65 0.00 0.00 178.83 176.66 3krp h GLY 212 N 0.17 0.36 2.00 2.39 0.00 0.42 -1.16 103.07 107.24 3krp h GLY 212 Ca 0.05 -0.36 -0.08 0.00 0.00 0.00 0.00 47.33 46.93 3krp h GLY 212 CO -0.01 0.32 -0.40 -0.84 0.00 0.00 0.00 176.54 175.61 3krp h THR 213 N 0.28 1.19 0.25 4.70 2.02 -1.06 -2.00 112.91 118.29 3krp h THR 213 Ca 0.02 -1.43 -0.32 0.00 0.77 0.00 0.00 66.41 65.45 3krp h THR 213 Cb 0.87 1.79 0.04 0.00 -1.74 0.00 0.00 68.15 69.11 3krp h THR 213 CO 0.07 0.40 -1.42 0.25 0.37 0.00 0.00 175.52 175.18 3krp h LEU 214 N 0.00 0.82 0.43 2.58 5.85 -0.89 -2.74 115.31 121.35 3krp h LEU 214 Ca -0.00 -0.92 -0.02 0.00 0.84 0.00 0.00 57.88 57.77 3krp h LEU 214 Cb 0.76 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.53 3krp h LEU 214 CO 0.05 1.69 -0.21 -0.09 -0.34 0.00 0.00 178.44 179.54 3krp h ARG 215 N 0.09 -0.56 0.00 1.25 9.65 -1.05 -1.43 114.38 122.33 3krp h ARG 215 Ca -0.25 0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.66 3krp h ARG 215 Cb 2.12 0.13 -0.00 0.00 -1.39 0.00 0.00 29.97 30.83 3krp h ARG 215 CO 0.26 -0.32 -0.06 0.78 2.80 0.00 0.00 179.97 183.44 3krp h GLY 216 N -0.68 0.00 1.62 2.80 0.00 -1.51 0.12 103.07 105.42 3krp h GLY 216 Ca -0.06 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.16 3krp h GLY 216 CO 0.10 0.00 -0.33 1.98 0.00 0.00 0.00 176.54 178.29 3krp h MET 217 N 0.00 0.43 -0.22 4.80 1.85 -1.12 -0.51 114.93 120.16 3krp h MET 217 Ca -0.00 -0.18 -0.17 0.00 -0.61 0.00 0.00 59.70 58.73 3krp h MET 217 Cb 0.31 -0.01 -0.00 0.00 0.43 0.00 0.00 31.60 32.32 3krp h MET 217 CO 0.01 0.71 -0.56 0.52 -0.40 0.00 0.00 176.91 177.19 3krp h MET 218 N 0.37 0.69 -0.07 0.39 2.07 0.28 -2.51 114.93 116.16 3krp h MET 218 Ca 0.05 -0.45 0.00 0.00 -2.07 0.00 0.00 59.70 57.23 3krp h MET 218 Cb 0.76 0.05 -0.01 0.00 -1.87 0.00 0.00 31.60 30.53 3krp h MET 218 CO 0.06 1.07 0.03 0.93 1.07 0.00 0.00 176.91 180.07 3krp h GLU 219 N 0.53 0.07 -0.19 1.72 4.39 -0.69 -3.04 114.58 117.37 3krp h GLU 219 Ca 0.01 -0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.73 3krp h GLU 219 Cb 1.14 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.75 3krp h GLU 219 CO 0.11 0.05 0.05 0.52 -1.16 0.00 0.00 179.01 178.58 3krp h MET 220 N 0.08 0.13 -1.05 2.33 2.86 -1.06 -2.72 114.93 115.49 3krp h MET 220 Ca 0.03 -0.01 0.40 0.00 -2.06 0.00 0.00 59.70 58.06 3krp h MET 220 Cb 0.00 -0.03 -0.14 0.00 0.06 0.00 0.00 31.60 31.49 3krp h MET 220 CO -0.02 0.08 0.63 1.17 1.06 0.00 0.00 176.91 179.84 3krp n LYS 221 N -5.07 -0.04 -0.27 1.72 4.81 -0.95 -0.70 118.16 117.66 3krp n LYS 221 Ca -0.03 1.16 -0.12 0.00 -0.87 0.00 0.00 58.31 58.46 3krp n LYS 221 Cb 0.08 -2.19 -0.10 0.00 0.02 0.00 0.00 35.03 32.85 3krp n LYS 221 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 3krp h ASN 222 N 0.00 -1.99 0.00 3.14 2.35 -1.56 -3.39 115.58 114.13 3krp h ASN 222 Ca 0.77 0.28 0.00 0.00 -0.55 0.00 0.00 56.30 56.80 3krp h ASN 222 Cb 2.25 0.85 0.00 0.00 0.05 0.00 0.00 38.32 41.47 3krp h ASN 222 CO -0.55 -0.32 0.00 -1.54 -1.65 0.00 0.00 177.43 173.37 3krp n SER 223 N -5.32 0.00 -4.30 5.81 3.41 0.13 -4.88 113.62 108.46 3krp n SER 223 Ca -0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.20 3krp n SER 223 Cb 0.31 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 3krp n SER 223 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3krp n HIS 224 N 0.00 -2.22 -3.15 7.33 -0.00 -1.26 -4.93 115.22 110.99 3krp n HIS 224 Ca 0.00 0.56 -0.26 0.00 -0.00 0.00 0.00 57.72 58.02 3krp n HIS 224 Cb 0.00 -1.77 -0.05 0.00 -0.00 0.00 0.00 29.99 28.17 3krp n HIS 224 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.34 177.28 3krp n GLN 225 N 1.30 2.57 -1.00 -1.40 7.27 -1.26 -4.48 117.38 120.37 3krp n GLN 225 Ca 0.10 -4.52 -0.13 0.00 0.07 0.00 0.00 57.00 52.53 3krp n GLN 225 Cb 0.42 -2.11 0.19 0.00 2.41 0.00 0.00 30.24 31.15 3krp n GLN 225 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 3krp n LEU 226 N 0.31 5.22 -3.63 1.69 4.77 -1.26 -4.93 117.00 119.16 3krp n LEU 226 Ca 0.29 -3.75 -0.18 0.00 -0.03 0.00 0.00 56.01 52.35 3krp n LEU 226 Cb 0.44 -0.72 -0.05 0.00 -2.33 0.00 0.00 43.42 40.76 3krp n LEU 226 CO 0.34 1.21 0.88 2.30 -1.33 0.00 0.00 177.39 180.79 3krp n ILE 227 N -1.13 0.00 -1.11 -0.08 -5.35 -1.26 -4.88 119.36 105.55 3krp n ILE 227 Ca 0.44 -0.19 -0.31 0.00 -0.27 0.00 0.00 62.75 62.42 3krp n ILE 227 Cb 1.28 -0.95 0.11 0.00 -1.74 0.00 0.00 39.64 38.34 3krp n ILE 227 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3krp s ASP 228 N 4.57 4.02 -0.01 7.28 2.15 -1.26 -4.97 116.67 128.45 3krp s ASP 228 Ca 0.27 1.90 0.07 0.00 0.43 0.00 0.00 52.55 55.22 3krp s ASP 228 Cb 0.06 -2.52 -0.10 0.00 -0.30 0.00 0.00 42.92 40.07 3krp s ASP 228 CO 0.14 -2.36 0.20 -0.62 -0.17 0.00 0.00 175.17 172.36 3krp n GLU 229 N -3.74 1.72 0.00 4.34 -0.58 -1.26 -4.27 120.64 116.86 3krp n GLU 229 Ca 0.10 -0.04 0.09 0.00 -0.42 0.00 0.00 57.16 56.88 3krp n GLU 229 Cb 0.53 -1.05 0.44 0.00 -0.57 0.00 0.00 31.44 30.79 3krp n GLU 229 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3krp n ASN 230 N -1.55 0.00 -0.12 1.62 3.02 -1.26 -1.19 115.26 115.78 3krp n ASN 230 Ca -0.00 0.20 -0.17 0.00 -0.03 0.00 0.00 54.58 54.58 3krp n ASN 230 Cb 0.16 -0.37 -0.12 0.00 -0.61 0.00 0.00 39.78 38.84 3krp n ASN 230 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3krp n ILE 231 N -1.37 1.41 0.14 2.41 2.08 -1.26 -3.42 119.36 119.35 3krp n ILE 231 Ca 0.07 -0.56 0.02 0.00 0.56 0.00 0.00 62.75 62.84 3krp n ILE 231 Cb 0.17 -1.32 0.35 0.00 -0.75 0.00 0.00 39.64 38.10 3krp n ILE 231 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 3krp h ILE 232 N 0.00 1.23 0.18 1.39 2.04 -1.67 -2.34 117.51 118.35 3krp h ILE 232 Ca -0.55 -1.08 -0.01 0.00 1.00 0.00 0.00 64.86 64.23 3krp h ILE 232 Cb 1.87 1.46 0.00 0.00 -0.74 0.00 0.00 36.82 39.41 3krp h ILE 232 CO -0.08 0.32 -0.09 1.23 0.00 0.00 0.00 178.15 179.53 3krp h GLY 233 N 0.94 -0.26 -0.48 5.37 0.00 -1.34 -2.91 103.07 104.38 3krp h GLY 233 Ca 0.02 0.10 0.15 0.00 0.00 0.00 0.00 47.33 47.59 3krp h GLY 233 CO 0.04 -0.09 -0.20 1.70 0.00 0.00 0.00 176.54 177.99 3krp h LYS 234 N -0.94 -0.01 0.64 4.80 3.64 -1.56 -0.15 116.57 123.00 3krp h LYS 234 Ca -0.03 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 3krp h LYS 234 Cb 0.48 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 3krp h LYS 234 CO 0.04 -0.01 -0.32 -0.07 -2.27 0.00 0.00 179.45 176.83 3krp h LEU 235 N -0.01 -0.76 -1.69 5.20 3.38 -1.52 -1.89 115.31 118.01 3krp h LEU 235 Ca 0.35 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.38 3krp h LEU 235 Cb 0.54 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 3krp h LEU 235 CO -0.76 -0.53 0.26 0.07 0.09 0.00 0.00 178.44 177.56 3krp h LYS 236 N -0.88 0.40 0.49 1.13 2.10 -1.22 0.36 116.57 118.95 3krp h LYS 236 Ca -0.09 -0.02 -0.02 0.00 -2.00 0.00 0.00 60.65 58.52 3krp h LYS 236 Cb 0.68 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.92 3krp h LYS 236 CO 0.14 0.26 -0.24 1.49 -2.00 0.00 0.00 179.45 179.10 3krp h GLU 237 N 0.41 -0.64 -0.12 0.07 4.81 -0.83 0.28 114.58 118.56 3krp h GLU 237 Ca 0.16 0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 3krp h GLU 237 Cb 0.12 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 3krp h GLU 237 CO -0.04 -0.38 0.03 -0.07 -0.73 0.00 0.00 179.01 177.82 3krp h LEU 238 N -0.76 0.15 0.61 1.64 3.38 -0.60 0.46 115.31 120.19 3krp h LEU 238 Ca -0.07 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3krp h LEU 238 Cb 0.55 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.27 3krp h LEU 238 CO 0.11 0.16 -0.29 0.00 0.09 0.00 0.00 178.44 178.51 3krp h ALA 239 N 1.87 -0.85 -0.41 1.53 0.00 0.13 -2.83 119.26 118.70 3krp h ALA 239 Ca 0.04 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.82 3krp h ALA 239 Cb 0.07 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 3krp h ALA 239 CO -0.00 -0.79 0.15 -0.07 0.00 0.00 0.00 179.25 178.54 3krp h LEU 240 N -1.18 0.16 -1.32 0.00 3.38 -0.21 0.99 115.31 117.12 3krp h LEU 240 Ca -0.08 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3krp h LEU 240 Cb 0.63 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3krp h LEU 240 CO 0.14 0.13 0.26 -0.33 0.09 0.00 0.00 178.44 178.72 3krp h GLU 241 N 0.31 0.00 -1.60 1.13 5.08 -0.12 -0.93 114.58 118.45 3krp h GLU 241 Ca 0.19 0.00 -0.39 0.00 -1.00 0.00 0.00 59.36 58.16 3krp h GLU 241 Cb 0.17 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.26 3krp h GLU 241 CO -0.19 0.00 0.44 0.39 -1.00 0.00 0.00 179.01 178.65 3krp n GLU 242 N -2.34 2.02 -3.11 2.33 -0.58 0.34 -4.43 120.64 114.86 3krp n GLU 242 Ca -0.01 -1.88 -0.17 0.00 -0.42 0.00 0.00 57.16 54.68 3krp n GLU 242 Cb 0.29 -1.79 -0.02 0.00 -0.57 0.00 0.00 31.44 29.34 3krp n GLU 242 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3krp n LEU 243 N 0.39 0.81 -3.90 -4.62 4.77 -0.35 -4.75 117.00 109.35 3krp n LEU 243 Ca 0.37 -4.82 -0.42 0.00 -0.03 0.00 0.00 56.01 51.11 3krp n LEU 243 Cb 0.58 0.69 0.01 0.00 -2.33 0.00 0.00 43.42 42.37 3krp n LEU 243 CO 0.40 2.20 1.39 0.61 -1.33 0.00 0.00 177.39 180.66 3krp n GLY 244 N 0.24 5.26 0.00 -0.72 0.00 -1.26 -5.13 105.19 103.57 3krp n GLY 244 Ca 0.23 -2.53 0.00 0.00 0.00 0.00 0.00 46.02 43.72 3krp n GLY 244 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3krp n GLY 248 N 1.39 1.02 0.00 -0.02 0.00 -1.26 -5.16 105.19 101.16 3krp n GLY 248 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.35 3krp n GLY 248 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3krp n LYS 249 N 0.00 0.00 0.00 1.61 0.00 -1.26 -1.32 118.16 117.20 3krp n LYS 249 Ca 0.00 0.21 0.22 0.00 0.00 0.00 0.00 58.31 58.74 3krp n LYS 249 Cb 0.00 -0.74 0.72 0.00 0.00 0.00 0.00 35.03 35.01 3krp n LYS 249 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.40 176.43 3krp h ASN 250 N 0.00 0.00 1.19 3.14 -0.73 -1.99 5.62 115.58 122.81 3krp h ASN 250 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 3krp h ASN 250 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.59 3krp h ASN 250 CO 0.00 0.00 -0.08 0.00 -0.37 0.00 0.00 177.43 176.98 3krp n ALA 251 N -2.55 2.43 -2.36 1.57 0.00 -1.25 -3.83 120.51 114.51 3krp n ALA 251 Ca 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3krp n ALA 251 Cb 0.66 -1.42 -0.01 0.00 0.00 0.00 0.00 19.45 18.68 3krp n ALA 251 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3krp n GLU 252 N -1.93 0.07 -0.06 0.00 1.02 0.39 -4.57 120.64 115.58 3krp n GLU 252 Ca 0.06 -1.73 -0.06 0.00 -0.02 0.00 0.00 57.16 55.42 3krp n GLU 252 Cb 0.39 0.11 -0.09 0.00 -0.02 0.00 0.00 31.44 31.84 3krp n GLU 252 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3krp n LEU 253 N 0.28 0.12 0.31 -4.62 7.94 1.74 -4.14 117.00 118.63 3krp n LEU 253 Ca -0.05 -0.00 0.19 0.00 -1.11 0.00 0.00 56.01 55.04 3krp n LEU 253 Cb 1.00 0.25 1.00 0.00 0.53 0.00 0.00 43.42 46.19 3krp n LEU 253 CO -0.07 0.29 1.16 0.24 -1.11 0.00 0.00 177.39 177.90 3krp h MET 254 N 0.00 0.00 -1.24 1.96 2.86 -1.74 0.21 114.93 116.99 3krp h MET 254 Ca -0.30 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.03 3krp h MET 254 Cb 1.68 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 33.19 3krp h MET 254 CO 0.01 0.00 0.39 0.43 1.06 0.00 0.00 176.91 178.81 3krp n SER 255 N -3.14 4.91 -0.00 1.22 7.64 -1.26 -3.67 113.62 119.32 3krp n SER 255 Ca -0.02 -2.96 0.06 0.00 1.01 0.00 0.00 58.87 56.96 3krp n SER 255 Cb 0.24 -0.86 -0.09 0.00 -1.01 0.00 0.00 64.21 62.49 3krp n SER 255 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3krp n SER 256 N -0.05 1.94 -0.03 6.43 7.64 0.73 -4.29 113.62 125.98 3krp n SER 256 Ca 0.31 -0.14 0.13 0.00 1.01 0.00 0.00 58.87 60.19 3krp n SER 256 Cb 0.85 1.45 0.48 0.00 -1.01 0.00 0.00 64.21 65.99 3krp n SER 256 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3krp n LEU 257 N -1.81 0.31 -2.76 -3.43 7.94 -1.24 -3.82 117.00 112.19 3krp n LEU 257 Ca -0.01 0.19 -0.31 0.00 -1.11 0.00 0.00 56.01 54.77 3krp n LEU 257 Cb 0.29 -0.33 0.00 0.00 0.53 0.00 0.00 43.42 43.92 3krp n LEU 257 CO 0.25 0.07 0.55 1.33 -1.11 0.00 0.00 177.39 178.48 3krp n VAL 258 N -1.36 3.08 -1.85 1.96 0.24 -1.26 -5.00 118.33 114.14 3krp n VAL 258 Ca 0.08 -5.04 0.00 0.00 -2.04 0.00 0.00 64.34 57.34 3krp n VAL 258 Cb 0.32 -1.32 0.00 0.00 -1.47 0.00 0.00 33.84 31.38 3krp n VAL 258 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69