#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kzi s LEU 3 N 0.00 4.55 0.79 0.99 1.43 -1.26 -5.03 118.68 120.15 3kzi s LEU 3 Ca 0.00 2.04 -0.11 0.00 -1.03 0.00 0.00 54.13 55.04 3kzi s LEU 3 Cb 0.00 -3.61 0.07 0.00 0.03 0.00 0.00 46.19 42.68 3kzi s LEU 3 CO 0.00 -0.07 1.10 -2.84 0.23 0.00 0.00 176.35 174.77 3kzi s PRO 4 N -0.80 2.10 0.24 1.29 0.02 -1.26 -4.88 135.00 131.71 3kzi s PRO 4 Ca 0.45 1.17 -0.05 0.00 0.02 0.00 0.00 61.00 62.60 3kzi s PRO 4 Cb -0.28 -1.88 0.38 0.00 0.02 0.00 0.00 34.50 32.75 3kzi s PRO 4 CO 0.35 -1.76 1.81 0.11 -0.33 0.00 0.00 177.00 177.18 3kzi h TRP 5 N -1.21 0.86 0.00 6.54 5.08 -2.03 -2.05 115.95 123.13 3kzi h TRP 5 Ca -0.44 0.03 0.00 0.00 1.08 0.00 0.00 58.89 59.56 3kzi h TRP 5 Cb 1.24 -0.26 0.00 0.00 -3.00 0.00 0.00 29.16 27.13 3kzi h TRP 5 CO 0.56 0.36 0.00 2.48 -1.28 0.00 0.00 178.44 180.56 3kzi n TYR 6 N -4.74 0.00 -0.18 0.12 4.11 -1.26 -2.90 117.16 112.31 3kzi n TYR 6 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.03 3kzi n TYR 6 Cb 0.26 -0.04 0.00 0.00 -0.00 0.00 0.00 39.34 39.56 3kzi n TYR 6 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 3kzi n ARG 7 N -0.12 2.10 -0.21 -3.48 1.74 -0.77 -4.83 116.66 111.08 3kzi n ARG 7 Ca 0.00 -0.10 0.31 0.00 -0.77 0.00 0.00 57.85 57.28 3kzi n ARG 7 Cb 0.11 -0.46 0.63 0.00 -1.02 0.00 0.00 32.46 31.72 3kzi n ARG 7 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 3kzi h VAL 8 N 0.18 0.17 -0.01 1.55 -1.51 -1.54 0.27 116.25 115.36 3kzi h VAL 8 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3kzi h VAL 8 Cb 0.09 0.25 0.00 0.00 -2.13 0.00 0.00 31.29 29.50 3kzi h VAL 8 CO 0.00 0.00 -0.08 1.41 -1.23 0.00 0.00 177.57 177.67 3kzi n HIS 9 N -3.61 0.00 0.43 5.19 8.25 -1.26 -3.29 115.22 120.92 3kzi n HIS 9 Ca 0.22 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.80 3kzi n HIS 9 Cb 1.30 -0.11 0.47 0.00 1.12 0.00 0.00 29.99 32.77 3kzi n HIS 9 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3kzi n THR 10 N -0.69 0.82 0.09 1.59 -2.24 0.96 -2.61 114.28 112.21 3kzi n THR 10 Ca 0.17 0.19 0.01 0.00 -2.27 0.00 0.00 64.05 62.15 3kzi n THR 10 Cb 0.27 -1.10 0.03 0.00 -2.10 0.00 0.00 70.33 67.44 3kzi n THR 10 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 3kzi n VAL 11 N -2.15 0.00 0.02 2.28 3.14 -1.21 -0.78 118.33 119.63 3kzi n VAL 11 Ca 0.03 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.41 3kzi n VAL 11 Cb 0.24 -0.83 -0.00 0.00 -1.06 0.00 0.00 33.84 32.19 3kzi n VAL 11 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 3kzi n LEU 12 N -0.85 0.02 -0.29 6.55 4.77 -1.07 -4.78 117.00 121.35 3kzi n LEU 12 Ca 0.01 -0.38 0.30 0.00 -0.03 0.00 0.00 56.01 55.91 3kzi n LEU 12 Cb 0.00 0.00 0.46 0.00 -2.33 0.00 0.00 43.42 41.55 3kzi n LEU 12 CO 0.01 0.01 1.18 -0.38 -1.33 0.00 0.00 177.39 176.87 3kzi n ILE 13 N -1.14 0.00 -2.89 -0.08 5.41 0.04 -1.94 119.36 118.76 3kzi n ILE 13 Ca 0.00 1.18 -0.13 0.00 1.00 0.00 0.00 62.75 64.80 3kzi n ILE 13 Cb 0.01 -2.07 0.03 0.00 -0.71 0.00 0.00 39.64 36.90 3kzi n ILE 13 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 3kzi n ASN 14 N -3.18 -1.54 -3.01 4.38 0.23 -1.26 -4.87 115.26 106.01 3kzi n ASN 14 Ca 0.25 -3.29 -0.15 0.00 -0.53 0.00 0.00 54.58 50.86 3kzi n ASN 14 Cb 1.47 1.02 0.01 0.00 -2.08 0.00 0.00 39.78 40.21 3kzi n ASN 14 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 3kzi n ASP 15 N 0.92 -0.28 -0.36 0.53 -0.08 -0.82 -4.96 116.55 111.50 3kzi n ASP 15 Ca 0.13 -3.23 0.30 0.00 -1.51 0.00 0.00 54.79 50.47 3kzi n ASP 15 Cb 0.64 0.28 0.48 0.00 2.34 0.00 0.00 41.12 44.87 3kzi n ASP 15 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 3kzi n PRO 16 N 0.29 -0.02 0.34 -0.67 -0.02 -1.26 -0.12 135.00 133.53 3kzi n PRO 16 Ca 0.18 0.82 -0.13 0.00 -2.02 0.00 0.00 63.50 62.34 3kzi n PRO 16 Cb 0.68 -1.67 -0.06 0.00 -0.02 0.00 0.00 33.50 32.42 3kzi n PRO 16 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3kzi h GLY 17 N 0.00 -0.90 2.00 -1.23 0.00 -1.90 -2.18 103.07 98.87 3kzi h GLY 17 Ca 0.61 0.33 0.00 0.00 0.00 0.00 0.00 47.33 48.27 3kzi h GLY 17 CO -0.23 -0.33 0.00 0.54 0.00 0.00 0.00 176.54 176.52 3kzi n ARG 18 N -4.42 0.05 0.08 4.80 5.12 0.83 -1.38 116.66 121.75 3kzi n ARG 18 Ca -0.11 0.28 -0.18 0.00 -1.93 0.00 0.00 57.85 55.92 3kzi n ARG 18 Cb 0.34 -1.60 -0.10 0.00 -1.16 0.00 0.00 32.46 29.94 3kzi n ARG 18 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 3kzi h LEU 19 N 0.00 0.66 -0.20 0.55 5.85 -1.17 -0.83 115.31 120.17 3kzi h LEU 19 Ca 0.00 -0.60 -0.22 0.00 0.84 0.00 0.00 57.88 57.90 3kzi h LEU 19 Cb 0.30 -0.21 0.01 0.00 0.37 0.00 0.00 40.66 41.13 3kzi h LEU 19 CO 0.00 1.42 -0.85 0.40 -0.34 0.00 0.00 178.44 179.07 3kzi h ILE 20 N 0.22 1.33 -0.88 4.05 2.04 -0.68 -0.51 117.51 123.09 3kzi h ILE 20 Ca -0.14 -2.17 0.02 0.00 1.00 0.00 0.00 64.86 63.58 3kzi h ILE 20 Cb 1.80 2.18 -0.05 0.00 -0.74 0.00 0.00 36.82 40.01 3kzi h ILE 20 CO 0.20 0.67 0.57 0.00 0.00 0.00 0.00 178.15 179.59 3kzi h ALA 21 N 0.67 1.13 0.47 1.87 0.00 -1.17 0.19 119.26 122.42 3kzi h ALA 21 Ca -0.07 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3kzi h ALA 21 Cb 1.47 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3kzi h ALA 21 CO 0.16 0.46 -0.22 0.00 0.00 0.00 0.00 179.25 179.65 3kzi h ALA 22 N 1.34 -0.87 -0.72 0.00 0.00 -1.00 -2.47 119.26 115.53 3kzi h ALA 22 Ca 0.34 -0.14 0.21 0.00 0.00 0.00 0.00 54.91 55.32 3kzi h ALA 22 Cb -0.06 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3kzi h ALA 22 CO -0.09 -0.83 0.69 0.45 0.00 0.00 0.00 179.25 179.47 3kzi h HIS 23 N -0.82 0.00 -0.14 0.00 -0.00 -0.91 0.34 115.15 113.62 3kzi h HIS 23 Ca -0.06 0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 60.21 3kzi h HIS 23 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.89 3kzi h HIS 23 CO 0.06 0.00 -0.31 -0.07 -0.00 0.00 0.00 177.93 177.61 3kzi h LEU 24 N 0.00 0.51 -0.54 2.43 3.38 -0.51 -2.59 115.31 117.99 3kzi h LEU 24 Ca 0.34 -0.57 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 3kzi h LEU 24 Cb 1.71 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 42.29 3kzi h LEU 24 CO -0.00 0.98 0.29 -0.03 0.09 0.00 0.00 178.44 179.77 3kzi h MET 25 N 0.06 0.76 0.57 1.13 4.05 0.11 -0.87 114.93 120.74 3kzi h MET 25 Ca 0.00 -0.09 -0.02 0.00 -0.28 0.00 0.00 59.70 59.31 3kzi h MET 25 Cb 0.91 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.55 3kzi h MET 25 CO 0.07 0.59 -0.44 1.25 0.23 0.00 0.00 176.91 178.61 3kzi h HIS 26 N 0.73 -1.19 -0.95 1.39 -0.00 -1.35 -0.44 115.15 113.33 3kzi h HIS 26 Ca 0.19 -0.00 0.23 0.00 -0.00 0.00 0.00 60.37 60.79 3kzi h HIS 26 Cb 0.06 0.44 -0.12 0.00 -0.00 0.00 0.00 27.41 27.79 3kzi h HIS 26 CO -0.01 -0.63 0.51 1.15 -0.00 0.00 0.00 177.93 178.94 3kzi h THR 27 N -0.99 0.52 -0.25 6.26 2.02 -1.30 0.22 112.91 119.39 3kzi h THR 27 Ca -0.07 -0.17 0.03 0.00 0.77 0.00 0.00 66.41 66.97 3kzi h THR 27 Cb 0.83 -0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 3kzi h THR 27 CO 0.01 0.09 0.06 0.00 0.37 0.00 0.00 175.52 176.05 3kzi h ALA 28 N 1.72 0.26 -0.57 6.16 0.00 -0.11 0.20 119.26 126.92 3kzi h ALA 28 Ca 0.60 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.46 3kzi h ALA 28 Cb 1.14 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3kzi h ALA 28 CO -0.49 -0.36 -0.01 -0.07 0.00 0.00 0.00 179.25 178.32 3kzi h LEU 29 N 0.16 0.99 -0.88 0.00 3.38 0.91 0.41 115.31 120.27 3kzi h LEU 29 Ca 0.11 -0.31 -0.11 0.00 0.09 0.00 0.00 57.88 57.66 3kzi h LEU 29 Cb 0.10 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3kzi h LEU 29 CO -0.14 1.06 -0.34 0.58 0.09 0.00 0.00 178.44 179.69 3kzi h VAL 30 N 0.89 1.29 -0.06 1.22 2.07 -0.55 0.34 116.25 121.46 3kzi h VAL 30 Ca 0.16 -1.43 -0.22 0.00 0.82 0.00 0.00 66.70 66.04 3kzi h VAL 30 Cb 0.56 1.52 0.01 0.00 -1.52 0.00 0.00 31.29 31.86 3kzi h VAL 30 CO 0.03 0.44 -0.81 0.00 0.02 0.00 0.00 177.57 177.25 3kzi h ALA 31 N 1.28 0.17 -0.14 1.67 0.00 -0.43 -2.65 119.26 119.17 3kzi h ALA 31 Ca 0.04 -0.62 0.01 0.00 0.00 0.00 0.00 54.91 54.34 3kzi h ALA 31 Cb 0.77 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3kzi h ALA 31 CO 0.06 0.58 0.08 0.78 0.00 0.00 0.00 179.25 180.74 3kzi h GLY 32 N 0.30 0.19 0.39 0.00 0.00 0.12 -1.25 103.07 102.82 3kzi h GLY 32 Ca -0.09 -0.06 0.05 0.00 0.00 0.00 0.00 47.33 47.24 3kzi h GLY 32 CO 0.16 0.05 -0.14 -0.25 0.00 0.00 0.00 176.54 176.36 3kzi h TRP 33 N 0.16 -0.36 -0.33 5.60 7.01 -0.33 -1.53 115.95 126.16 3kzi h TRP 33 Ca 0.06 0.03 0.07 0.00 2.11 0.00 0.00 58.89 61.15 3kzi h TRP 33 Cb 0.00 0.19 -0.07 0.00 -2.10 0.00 0.00 29.16 27.18 3kzi h TRP 33 CO -0.08 -0.21 -0.15 0.00 -2.79 0.00 0.00 178.44 175.20 3kzi h ALA 34 N 0.98 0.11 -0.03 2.65 0.00 -1.08 0.63 119.26 122.53 3kzi h ALA 34 Ca 0.12 0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.18 3kzi h ALA 34 Cb 0.32 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 3kzi h ALA 34 CO -0.29 -0.53 -0.22 0.78 0.00 0.00 0.00 179.25 178.99 3kzi h GLY 35 N -0.10 -0.29 2.00 0.00 0.00 -0.64 -2.15 103.07 101.89 3kzi h GLY 35 Ca 0.17 0.26 -0.08 0.00 0.00 0.00 0.00 47.33 47.68 3kzi h GLY 35 CO -0.39 -0.19 -0.39 1.48 0.00 0.00 0.00 176.54 177.05 3kzi h SER 36 N -0.33 0.00 0.32 0.19 4.64 -0.71 -2.33 113.55 115.33 3kzi h SER 36 Ca 0.07 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.32 3kzi h SER 36 Cb 0.43 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 3kzi h SER 36 CO -0.22 0.39 -0.34 -0.03 -0.87 0.00 0.00 176.83 175.76 3kzi h MET 37 N 0.00 0.03 0.69 4.77 -1.53 0.47 -2.11 114.93 117.25 3kzi h MET 37 Ca -0.00 -0.01 -0.03 0.00 -3.44 0.00 0.00 59.70 56.21 3kzi h MET 37 Cb 1.04 -0.00 0.01 0.00 -0.55 0.00 0.00 31.60 32.10 3kzi h MET 37 CO 0.05 0.37 -0.33 0.00 0.14 0.00 0.00 176.91 177.14 3kzi h ALA 38 N 1.63 -1.12 -1.09 0.39 0.00 -0.86 -2.45 119.26 115.77 3kzi h ALA 38 Ca 0.00 -0.20 0.29 0.00 0.00 0.00 0.00 54.91 55.00 3kzi h ALA 38 Cb 0.61 0.36 -0.09 0.00 0.00 0.00 0.00 17.79 18.67 3kzi h ALA 38 CO 0.04 -1.06 0.71 -0.07 0.00 0.00 0.00 179.25 178.88 3kzi h LEU 39 N -1.03 0.38 -0.66 0.00 3.38 -1.33 0.40 115.31 116.44 3kzi h LEU 39 Ca -0.10 0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 3kzi h LEU 39 Cb 0.71 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 3kzi h LEU 39 CO 0.16 0.04 0.15 0.22 0.09 0.00 0.00 178.44 179.10 3kzi h TYR 40 N 0.31 1.13 -0.21 1.13 3.20 -1.17 -0.02 116.97 121.35 3kzi h TYR 40 Ca 0.62 -0.14 -0.19 0.00 3.14 0.00 0.00 58.73 62.16 3kzi h TYR 40 Cb 1.71 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 39.67 3kzi h TYR 40 CO -0.00 0.93 -0.64 0.93 -1.64 0.00 0.00 178.16 177.74 3kzi h GLU 41 N 1.00 0.75 0.00 1.82 5.08 0.18 -2.95 114.58 120.45 3kzi h GLU 41 Ca 0.21 -0.53 -0.04 0.00 -1.00 0.00 0.00 59.36 58.00 3kzi h GLU 41 Cb 0.38 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 3kzi h GLU 41 CO 0.00 1.15 -0.18 -0.07 -1.00 0.00 0.00 179.01 178.92 3kzi h LEU 42 N 0.55 0.00 -0.16 1.33 3.38 -0.72 0.53 115.31 120.21 3kzi h LEU 42 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3kzi h LEU 42 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 3kzi h LEU 42 CO 0.13 0.18 -0.15 0.00 0.09 0.00 0.00 178.44 178.68 3kzi n ALA 43 N -2.26 2.81 0.00 1.53 0.00 -0.05 -4.23 120.51 118.31 3kzi n ALA 43 Ca -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.18 3kzi n ALA 43 Cb 0.33 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.45 3kzi n ALA 43 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3kzi n THR 44 N -1.13 0.00 -2.55 0.00 -2.24 -0.72 -5.07 114.28 102.57 3kzi n THR 44 Ca 0.12 -0.15 -0.41 0.00 -2.27 0.00 0.00 64.05 61.34 3kzi n THR 44 Cb 0.30 0.81 -0.04 0.00 -2.10 0.00 0.00 70.33 69.30 3kzi n THR 44 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3kzi s PHE 45 N -0.47 3.62 -0.35 4.78 5.36 0.18 -5.03 117.98 126.07 3kzi s PHE 45 Ca 0.00 1.62 -0.10 0.00 -0.96 0.00 0.00 56.93 57.49 3kzi s PHE 45 Cb 0.00 -3.24 0.02 0.00 -0.34 0.00 0.00 43.02 39.46 3kzi s PHE 45 CO 0.00 -0.50 0.17 0.34 -1.46 0.00 0.00 175.22 173.77 3kzi s ASP 46 N -0.03 5.57 0.00 6.13 2.15 -1.26 -4.95 116.67 124.28 3kzi s ASP 46 Ca 0.49 -0.92 0.29 0.00 0.43 0.00 0.00 52.55 52.85 3kzi s ASP 46 Cb -0.28 -1.98 1.33 0.00 -0.30 0.00 0.00 42.92 41.69 3kzi s ASP 46 CO 0.34 -0.33 1.92 -0.81 -0.17 0.00 0.00 175.17 176.12 3kzi n PRO 47 N 4.95 0.80 0.31 4.34 -0.04 -1.26 -4.28 135.00 139.81 3kzi n PRO 47 Ca -0.12 -0.25 0.11 0.00 -0.04 0.00 0.00 63.50 63.19 3kzi n PRO 47 Cb 0.46 -1.49 0.56 0.00 -0.04 0.00 0.00 33.50 32.99 3kzi n PRO 47 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3kzi h SER 48 N 0.61 0.00 -0.97 3.54 4.64 -1.93 -3.37 113.55 116.06 3kzi h SER 48 Ca 0.00 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.38 3kzi h SER 48 Cb 0.31 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 62.20 3kzi h SER 48 CO 0.00 0.00 -0.33 -0.62 -0.87 0.00 0.00 176.83 175.01 3kzi s ASP 49 N -3.94 -1.51 0.17 4.97 2.15 -1.26 -5.00 116.67 112.25 3kzi s ASP 49 Ca -0.02 0.41 0.26 0.00 0.43 0.00 0.00 52.55 53.63 3kzi s ASP 49 Cb 0.06 2.05 0.91 0.00 -0.30 0.00 0.00 42.92 45.64 3kzi s ASP 49 CO 0.19 -0.28 1.78 -0.81 -0.17 0.00 0.00 175.17 175.88 3kzi n PRO 50 N 5.42 0.19 -0.03 4.34 -0.04 -1.26 -1.71 135.00 141.91 3kzi n PRO 50 Ca 0.03 0.21 -0.00 0.00 -0.04 0.00 0.00 63.50 63.69 3kzi n PRO 50 Cb 0.53 -1.75 -0.00 0.00 -0.04 0.00 0.00 33.50 32.24 3kzi n PRO 50 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3kzi h VAL 51 N 0.00 0.00 -0.00 0.52 2.07 -1.96 -3.39 116.25 113.49 3kzi h VAL 51 Ca 0.00 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.92 3kzi h VAL 51 Cb 0.62 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 3kzi h VAL 51 CO 0.00 0.00 -0.83 0.18 0.02 0.00 0.00 177.57 176.94 3kzi n LEU 52 N -3.66 1.13 -3.20 2.57 4.77 -1.26 -4.60 117.00 112.76 3kzi n LEU 52 Ca -0.01 -0.49 -0.23 0.00 -0.03 0.00 0.00 56.01 55.26 3kzi n LEU 52 Cb 0.02 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.02 3kzi n LEU 52 CO 0.01 0.26 -0.25 -3.20 -1.33 0.00 0.00 177.39 172.88 3kzi n ASN 53 N -1.21 0.65 -4.89 -1.43 5.15 -0.69 -4.38 115.26 108.45 3kzi n ASN 53 Ca 0.05 -2.83 -0.29 0.00 -0.60 0.00 0.00 54.58 50.92 3kzi n ASN 53 Cb 0.36 -0.64 -0.02 0.00 -0.53 0.00 0.00 39.78 38.95 3kzi n ASN 53 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3kzi s PRO 54 N -1.57 3.65 0.22 1.20 0.04 -1.20 -4.37 135.00 132.97 3kzi s PRO 54 Ca 0.37 0.26 0.10 0.00 0.04 0.00 0.00 61.00 61.77 3kzi s PRO 54 Cb 0.21 -2.43 0.76 0.00 0.04 0.00 0.00 34.50 33.08 3kzi s PRO 54 CO -0.10 -0.07 1.00 0.00 0.04 0.00 0.00 177.00 177.87 3kzi n MET 55 N -1.69 -0.04 0.00 4.56 0.00 -1.26 0.18 117.12 118.86 3kzi n MET 55 Ca 0.01 0.90 0.09 0.00 0.00 0.00 0.00 57.70 58.70 3kzi n MET 55 Cb 0.55 -1.56 0.53 0.00 0.00 0.00 0.00 33.22 32.74 3kzi n MET 55 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 175.97 173.30 3kzi n TRP 56 N -4.54 0.00 0.07 3.17 4.27 -1.26 -1.82 117.44 117.33 3kzi n TRP 56 Ca 0.22 0.00 0.11 0.00 -3.89 0.00 0.00 57.50 53.94 3kzi n TRP 56 Cb 0.73 -0.10 -0.14 0.00 -1.36 0.00 0.00 31.31 30.44 3kzi n TRP 56 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 3kzi n ARG 57 N -1.10 0.61 -0.97 -2.67 5.12 0.13 -4.31 116.66 113.46 3kzi n ARG 57 Ca 0.12 -0.14 -0.09 0.00 -1.93 0.00 0.00 57.85 55.81 3kzi n ARG 57 Cb 0.09 -1.56 0.25 0.00 -1.16 0.00 0.00 32.46 30.08 3kzi n ARG 57 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 3kzi n GLN 58 N -2.27 3.16 -3.97 5.56 6.02 -0.76 -1.31 117.38 123.81 3kzi n GLN 58 Ca -0.03 -2.75 -0.31 0.00 -0.01 0.00 0.00 57.00 53.89 3kzi n GLN 58 Cb 0.55 -2.12 0.02 0.00 1.02 0.00 0.00 30.24 29.71 3kzi n GLN 58 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kzi n GLY 59 N -0.31 -0.49 3.75 1.08 0.00 -1.24 -4.76 105.19 103.23 3kzi n GLY 59 Ca 0.41 0.19 -0.39 0.00 0.00 0.00 0.00 46.02 46.22 3kzi n GLY 59 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kzi s MET 60 N -6.68 4.41 0.00 1.61 -1.94 -1.12 -4.90 119.30 110.68 3kzi s MET 60 Ca 0.68 0.91 0.00 0.00 -1.71 0.00 0.00 55.69 55.57 3kzi s MET 60 Cb -0.35 -3.35 0.00 0.00 2.01 0.00 0.00 34.83 33.14 3kzi s MET 60 CO 0.85 0.33 0.00 0.34 -0.01 0.00 0.00 175.02 176.53 3kzi n PHE 61 N 2.74 0.00 -0.01 -0.03 7.35 -1.26 -4.69 117.46 121.55 3kzi n PHE 61 Ca -0.05 0.00 -0.19 0.00 -0.76 0.00 0.00 57.45 56.45 3kzi n PHE 61 Cb 0.51 0.00 -0.14 0.00 0.35 0.00 0.00 39.48 40.20 3kzi n PHE 61 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 3kzi n VAL 62 N -2.35 1.73 -0.29 -2.13 0.31 -1.26 -4.32 118.33 110.02 3kzi n VAL 62 Ca 0.00 -0.67 0.19 0.00 -0.01 0.00 0.00 64.34 63.85 3kzi n VAL 62 Cb 0.45 -1.59 0.48 0.00 -0.91 0.00 0.00 33.84 32.26 3kzi n VAL 62 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3kzi h LEU 63 N 0.06 0.49 -0.28 7.52 5.85 -1.94 -2.02 115.31 124.98 3kzi h LEU 63 Ca -0.42 0.07 -0.12 0.00 0.84 0.00 0.00 57.88 58.25 3kzi h LEU 63 Cb 2.03 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 43.03 3kzi h LEU 63 CO 0.07 0.16 -0.27 1.55 -0.34 0.00 0.00 178.44 179.60 3kzi h PRO 64 N 0.46 0.68 0.00 5.25 0.13 -1.85 -3.02 132.00 133.66 3kzi h PRO 64 Ca 0.53 -0.36 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3kzi h PRO 64 Cb 1.25 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3kzi h PRO 64 CO -0.25 0.97 0.00 0.74 -0.23 0.00 0.00 178.00 179.22 3kzi h PHE 65 N 0.41 0.00 0.00 1.56 0.04 -1.58 0.01 116.94 117.38 3kzi h PHE 65 Ca 0.04 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.79 3kzi h PHE 65 Cb 0.84 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.99 3kzi h PHE 65 CO 0.07 0.00 -0.74 0.52 -0.60 0.00 0.00 178.31 177.56 3kzi h MET 66 N 0.00 0.00 0.06 1.51 2.86 -1.43 -3.34 114.93 114.59 3kzi h MET 66 Ca 0.00 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.32 3kzi h MET 66 Cb 0.01 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 3kzi h MET 66 CO 0.00 0.07 -1.76 0.00 1.06 0.00 0.00 176.91 176.27 3kzi h ALA 67 N 1.90 0.58 -0.16 6.32 0.00 -0.96 -2.00 119.26 124.95 3kzi h ALA 67 Ca -0.02 -1.38 0.05 0.00 0.00 0.00 0.00 54.91 53.56 3kzi h ALA 67 Cb 1.09 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 3kzi h ALA 67 CO 0.01 1.42 0.25 -0.09 0.00 0.00 0.00 179.25 180.84 3kzi h ARG 68 N 0.03 0.00 -0.18 0.00 2.43 -1.44 -2.01 114.38 113.21 3kzi h ARG 68 Ca -0.32 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 3kzi h ARG 68 Cb 2.02 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.57 3kzi h ARG 68 CO 0.10 0.00 0.00 1.28 -1.51 0.00 0.00 179.97 179.84 3kzi n LEU 69 N -3.48 2.41 0.00 3.80 4.77 -1.25 -1.42 117.00 121.83 3kzi n LEU 69 Ca 0.01 -1.84 0.00 0.00 -0.03 0.00 0.00 56.01 54.15 3kzi n LEU 69 Cb 0.36 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 3kzi n LEU 69 CO 0.23 0.59 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 3kzi n GLY 70 N 0.16 3.82 3.58 -0.72 0.00 -0.76 -4.52 105.19 106.76 3kzi n GLY 70 Ca 0.07 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 44.87 3kzi n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kzi s VAL 71 N 0.00 3.12 -0.03 1.61 1.01 -0.75 -4.75 120.40 120.61 3kzi s VAL 71 Ca 0.00 0.11 0.05 0.00 0.00 0.00 0.00 61.98 62.14 3kzi s VAL 71 Cb 0.00 -3.21 0.07 0.00 0.00 0.00 0.00 36.38 33.24 3kzi s VAL 71 CO 0.00 -0.16 0.94 0.35 0.00 0.00 0.00 175.10 176.23 3kzi n THR 72 N 7.72 0.59 -4.30 3.92 -2.24 -1.26 -3.31 114.28 115.40 3kzi n THR 72 Ca 0.30 -0.69 -0.16 0.00 -2.27 0.00 0.00 64.05 61.23 3kzi n THR 72 Cb 0.49 0.41 -0.10 0.00 -2.10 0.00 0.00 70.33 69.03 3kzi n THR 72 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3kzi s GLY 73 N -1.28 1.62 0.09 3.38 0.00 -1.26 -0.90 107.32 108.96 3kzi s GLY 73 Ca 0.08 -1.81 0.09 0.00 0.00 0.00 0.00 44.72 43.09 3kzi s GLY 73 CO 0.01 -1.58 -0.24 -0.45 0.00 0.00 0.00 173.10 170.84 3kzi s SER 74 N -3.28 2.86 0.51 1.64 0.15 -0.78 -2.01 113.70 112.79 3kzi s SER 74 Ca 0.35 -0.65 0.34 0.00 0.70 0.00 0.00 55.95 56.69 3kzi s SER 74 Cb 0.07 -0.20 1.72 0.00 -1.71 0.00 0.00 66.02 65.90 3kzi s SER 74 CO 0.11 0.15 2.04 -0.50 1.20 0.00 0.00 173.24 176.25 3kzi h TRP 75 N 4.32 0.00 -0.00 3.44 6.55 -1.92 -1.28 115.95 127.06 3kzi h TRP 75 Ca -0.47 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.37 3kzi h TRP 75 Cb 1.17 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.47 3kzi h TRP 75 CO 0.56 0.00 -0.00 -1.13 -1.05 0.00 0.00 178.44 176.82 3kzi n SER 76 N -2.79 0.03 0.00 -3.49 3.41 -1.26 -4.93 113.62 104.59 3kzi n SER 76 Ca -0.01 -0.80 0.00 0.00 -0.26 0.00 0.00 58.87 57.80 3kzi n SER 76 Cb 0.14 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 3kzi n SER 76 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kzi n GLY 77 N 1.07 2.12 3.80 5.00 0.00 -0.48 -5.10 105.19 111.61 3kzi n GLY 77 Ca 0.21 -0.42 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 3kzi n GLY 77 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3kzi s TRP 78 N -1.26 1.93 -0.09 1.61 1.48 -1.26 -4.42 118.94 116.92 3kzi s TRP 78 Ca 0.00 0.63 -0.21 0.00 -1.06 0.00 0.00 56.10 55.45 3kzi s TRP 78 Cb 0.00 -3.61 0.05 0.00 -1.16 0.00 0.00 33.47 28.75 3kzi s TRP 78 CO 0.00 -2.67 0.51 -1.54 -4.06 0.00 0.00 176.95 169.19 3kzi s SER 79 N -4.30 -0.47 0.34 -2.66 1.04 -1.24 -1.87 113.70 104.53 3kzi s SER 79 Ca 0.68 0.65 0.13 0.00 0.48 0.00 0.00 55.95 57.88 3kzi s SER 79 Cb -0.10 0.67 1.02 0.00 0.10 0.00 0.00 66.02 67.70 3kzi s SER 79 CO 0.53 -0.41 1.69 0.40 0.98 0.00 0.00 173.24 176.43 3kzi h ILE 80 N 3.74 0.38 0.00 -1.02 1.08 -1.39 0.36 117.51 120.67 3kzi h ILE 80 Ca -0.28 -0.14 0.00 0.00 -0.39 0.00 0.00 64.86 64.05 3kzi h ILE 80 Cb 1.16 -0.07 0.00 0.00 -3.07 0.00 0.00 36.82 34.85 3kzi h ILE 80 CO 0.31 0.08 0.00 0.71 -0.69 0.00 0.00 178.15 178.56 3kzi h THR 81 N 0.41 0.00 0.00 -0.27 1.35 -1.95 -3.46 112.91 108.99 3kzi h THR 81 Ca 0.70 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 3kzi h THR 81 Cb 1.52 1.75 0.00 0.00 -1.73 0.00 0.00 68.15 69.70 3kzi h THR 81 CO -0.55 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.33 3kzi n GLY 82 N 0.64 1.11 3.93 5.82 0.00 0.13 -4.96 105.19 111.87 3kzi n GLY 82 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 3kzi n GLY 82 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kzi s GLU 83 N -0.55 2.62 0.37 1.61 2.02 -1.26 -4.91 118.70 118.60 3kzi s GLU 83 Ca 0.00 -0.28 0.04 0.00 0.02 0.00 0.00 54.97 54.75 3kzi s GLU 83 Cb 0.00 -2.30 -0.05 0.00 0.10 0.00 0.00 34.13 31.88 3kzi s GLU 83 CO 0.00 -0.85 0.08 0.95 0.02 0.00 0.00 175.26 175.47 3kzi s THR 84 N -3.00 0.95 0.00 3.63 -4.23 -1.26 -3.71 115.64 108.02 3kzi s THR 84 Ca 0.56 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.07 3kzi s THR 84 Cb -0.11 -2.58 0.00 0.00 1.34 0.00 0.00 72.50 71.15 3kzi s THR 84 CO 0.43 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.12 3kzi n GLY 85 N -0.80 0.93 3.77 3.99 0.00 -1.26 -4.95 105.19 106.87 3kzi n GLY 85 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 3kzi n GLY 85 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3kzi s ILE 86 N -1.84 3.07 -0.40 -0.61 -5.25 -1.26 -5.02 121.20 109.89 3kzi s ILE 86 Ca 0.00 0.72 0.04 0.00 -0.99 0.00 0.00 60.65 60.42 3kzi s ILE 86 Cb 0.00 -3.32 0.11 0.00 2.95 0.00 0.00 42.46 42.20 3kzi s ILE 86 CO 0.00 -0.09 0.12 -0.62 -1.79 0.00 0.00 174.94 172.56 3kzi s ASP 87 N -1.59 4.63 0.41 4.36 -1.08 -1.26 -4.87 116.67 117.27 3kzi s ASP 87 Ca 0.70 -2.45 0.29 0.00 -0.52 0.00 0.00 52.55 50.57 3kzi s ASP 87 Cb -0.27 -1.64 1.40 0.00 -1.46 0.00 0.00 42.92 40.95 3kzi s ASP 87 CO 0.31 -0.33 1.88 1.55 0.52 0.00 0.00 175.17 179.09 3kzi h PRO 88 N 7.24 0.00 0.00 4.34 0.13 -1.94 -3.48 132.00 138.29 3kzi h PRO 88 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 3kzi h PRO 88 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 3kzi h PRO 88 CO 0.58 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.76 3kzi n GLY 89 N -0.59 0.41 0.12 1.56 0.00 -1.26 -3.87 105.19 101.56 3kzi n GLY 89 Ca -0.00 -1.00 -0.18 0.00 0.00 0.00 0.00 46.02 44.84 3kzi n GLY 89 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3kzi h PHE 90 N 0.00 0.45 0.00 1.61 3.57 -2.03 -3.40 116.94 117.13 3kzi h PHE 90 Ca 0.00 -0.33 -0.65 0.00 3.53 0.00 0.00 57.97 60.53 3kzi h PHE 90 Cb 0.00 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.73 3kzi h PHE 90 CO 0.00 1.45 3.23 0.91 -2.23 0.00 0.00 178.31 181.67 3kzi n TRP 91 N -3.43 2.67 -3.47 0.41 5.03 -1.25 -3.95 117.44 113.44 3kzi n TRP 91 Ca -0.20 -2.75 -0.20 0.00 3.03 0.00 0.00 57.50 57.38 3kzi n TRP 91 Cb 1.05 -2.32 -0.02 0.00 -1.03 0.00 0.00 31.31 28.99 3kzi n TRP 91 CO 0.00 0.00 0.00 -1.54 -0.03 0.00 0.00 177.69 176.12 3kzi s SER 92 N 3.08 5.45 0.31 -0.99 1.04 -1.26 -4.70 113.70 116.63 3kzi s SER 92 Ca 0.56 -0.48 0.07 0.00 0.48 0.00 0.00 55.95 56.57 3kzi s SER 92 Cb 0.15 -0.83 0.85 0.00 0.10 0.00 0.00 66.02 66.29 3kzi s SER 92 CO -0.05 -0.56 1.67 -0.26 0.98 0.00 0.00 173.24 175.03 3kzi h PHE 93 N 0.96 0.68 -0.09 5.02 0.04 -1.74 0.83 116.94 122.63 3kzi h PHE 93 Ca -0.43 0.04 0.01 0.00 2.80 0.00 0.00 57.97 60.40 3kzi h PHE 93 Cb 1.26 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 39.25 3kzi h PHE 93 CO 0.47 -0.13 0.01 0.93 -0.60 0.00 0.00 178.31 179.00 3kzi h GLU 94 N 0.33 0.05 -0.05 1.51 3.07 -1.91 -0.69 114.58 116.89 3kzi h GLU 94 Ca 0.62 -0.00 0.04 0.00 -0.50 0.00 0.00 59.36 59.52 3kzi h GLU 94 Cb 1.28 -0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 29.13 3kzi h GLU 94 CO -0.59 0.03 -0.32 0.78 -1.40 0.00 0.00 179.01 177.51 3kzi h GLY 95 N 0.05 -0.50 0.33 -3.84 0.00 0.45 0.58 103.07 100.14 3kzi h GLY 95 Ca 0.04 0.39 0.04 0.00 0.00 0.00 0.00 47.33 47.81 3kzi h GLY 95 CO -0.06 -0.23 -0.22 -2.08 0.00 0.00 0.00 176.54 173.95 3kzi h VAL 96 N -0.44 0.45 -0.68 4.60 2.07 -0.79 0.25 116.25 121.72 3kzi h VAL 96 Ca 0.07 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.66 3kzi h VAL 96 Cb 0.56 0.45 -0.06 0.00 -1.52 0.00 0.00 31.29 30.72 3kzi h VAL 96 CO -0.30 0.00 0.36 0.00 0.02 0.00 0.00 177.57 177.65 3kzi h ALA 97 N 0.67 0.91 0.57 1.67 0.00 -0.65 -1.99 119.26 120.44 3kzi h ALA 97 Ca 0.10 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3kzi h ALA 97 Cb 0.43 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3kzi h ALA 97 CO -0.29 0.02 -0.45 1.25 0.00 0.00 0.00 179.25 179.78 3kzi h LEU 98 N 0.66 -1.20 -0.60 0.00 5.85 0.13 -2.82 115.31 117.33 3kzi h LEU 98 Ca 0.31 0.09 0.07 0.00 0.84 0.00 0.00 57.88 59.19 3kzi h LEU 98 Cb 0.24 0.38 -0.10 0.00 0.37 0.00 0.00 40.66 41.55 3kzi h LEU 98 CO -0.21 -0.65 -0.55 0.00 -0.34 0.00 0.00 178.44 176.70 3kzi h ALA 99 N -0.79 -0.64 -0.80 1.25 0.00 -0.05 -1.69 119.26 116.53 3kzi h ALA 99 Ca -0.07 0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.01 3kzi h ALA 99 Cb 0.84 1.17 -0.08 0.00 0.00 0.00 0.00 17.79 19.72 3kzi h ALA 99 CO 0.00 -0.99 0.42 0.45 0.00 0.00 0.00 179.25 179.13 3kzi h HIS 100 N -0.26 0.74 -0.82 0.00 3.86 -1.37 -0.93 115.15 116.37 3kzi h HIS 100 Ca 0.12 0.03 0.08 0.00 -1.16 0.00 0.00 60.37 59.43 3kzi h HIS 100 Cb 0.54 -0.21 -0.05 0.00 1.06 0.00 0.00 27.41 28.75 3kzi h HIS 100 CO -0.81 0.23 0.53 0.82 0.86 0.00 0.00 177.93 179.57 3kzi h ILE 101 N 0.65 1.01 -0.01 2.45 1.08 -1.05 -0.48 117.51 121.17 3kzi h ILE 101 Ca 0.41 -0.29 -0.02 0.00 -0.39 0.00 0.00 64.86 64.57 3kzi h ILE 101 Cb 0.50 0.09 0.00 0.00 -3.07 0.00 0.00 36.82 34.34 3kzi h ILE 101 CO -0.31 0.15 -0.07 0.58 -0.69 0.00 0.00 178.15 177.81 3kzi h VAL 102 N 0.85 1.54 -0.65 1.67 2.07 -0.95 -2.65 116.25 118.12 3kzi h VAL 102 Ca 0.36 -1.69 0.19 0.00 0.82 0.00 0.00 66.70 66.38 3kzi h VAL 102 Cb 0.31 2.65 -0.03 0.00 -1.52 0.00 0.00 31.29 32.70 3kzi h VAL 102 CO -0.14 0.45 0.49 0.25 0.02 0.00 0.00 177.57 178.65 3kzi h LEU 103 N -0.60 0.00 -0.06 2.57 5.85 -0.85 0.25 115.31 122.46 3kzi h LEU 103 Ca -0.01 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.61 3kzi h LEU 103 Cb 0.77 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.81 3kzi h LEU 103 CO 0.01 0.00 -0.37 -1.28 -0.34 0.00 0.00 178.44 176.46 3kzi h SER 104 N 0.00 0.44 -0.96 1.25 0.87 -1.05 -2.09 113.55 112.00 3kzi h SER 104 Ca 0.31 -0.67 0.02 0.00 -1.23 0.00 0.00 61.79 60.22 3kzi h SER 104 Cb 1.29 -0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 63.07 3kzi h SER 104 CO -0.00 1.04 0.64 1.23 -0.53 0.00 0.00 176.83 179.20 3kzi h GLY 105 N -0.13 1.37 0.83 5.77 0.00 -0.18 -1.39 103.07 109.35 3kzi h GLY 105 Ca -0.03 -0.50 -0.08 0.00 0.00 0.00 0.00 47.33 46.73 3kzi h GLY 105 CO 0.08 0.47 -0.17 1.41 0.00 0.00 0.00 176.54 178.32 3kzi h LEU 106 N 1.28 0.52 -1.89 3.11 3.38 -1.27 -2.32 115.31 118.12 3kzi h LEU 106 Ca 0.36 -0.46 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3kzi h LEU 106 Cb -0.10 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 3kzi h LEU 106 CO -0.09 0.86 -0.07 -0.07 0.09 0.00 0.00 178.44 179.16 3kzi h LEU 107 N 0.18 0.00 0.51 1.67 3.38 -1.12 0.23 115.31 120.16 3kzi h LEU 107 Ca 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3kzi h LEU 107 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3kzi h LEU 107 CO 0.04 0.07 -0.24 0.15 0.09 0.00 0.00 178.44 178.55 3kzi h PHE 108 N 0.00 -0.63 -0.83 1.13 3.57 -1.02 0.18 116.94 119.34 3kzi h PHE 108 Ca -0.00 -0.01 0.20 0.00 3.53 0.00 0.00 57.97 61.68 3kzi h PHE 108 Cb 0.13 0.21 -0.12 0.00 2.79 0.00 0.00 35.95 38.96 3kzi h PHE 108 CO 0.00 -0.39 0.27 -0.07 -2.23 0.00 0.00 178.31 175.88 3kzi h LEU 109 N -0.82 0.13 -0.52 0.59 3.38 -1.14 0.36 115.31 117.29 3kzi h LEU 109 Ca -0.07 0.16 0.01 0.00 0.09 0.00 0.00 57.88 58.07 3kzi h LEU 109 Cb 0.52 0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 3kzi h LEU 109 CO 0.11 -0.04 0.34 0.00 0.09 0.00 0.00 178.44 178.95 3kzi h ALA 110 N 1.68 0.67 -0.62 1.53 0.00 -0.84 -1.68 119.26 119.99 3kzi h ALA 110 Ca 0.49 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.39 3kzi h ALA 110 Cb 0.91 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 3kzi h ALA 110 CO -0.55 0.10 0.41 0.00 0.00 0.00 0.00 179.25 179.22 3kzi h ALA 111 N 1.20 1.62 0.19 0.00 0.00 0.28 -1.67 119.26 120.87 3kzi h ALA 111 Ca 0.19 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3kzi h ALA 111 Cb -0.07 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.49 3kzi h ALA 111 CO -0.05 0.33 -0.09 0.00 0.00 0.00 0.00 179.25 179.44 3kzi h TRP 113 N -0.51 0.03 0.00 0.00 7.01 -1.00 -0.45 115.95 121.03 3kzi h TRP 113 Ca -0.03 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.00 3kzi h TRP 113 Cb 0.38 0.04 0.00 0.00 -2.10 0.00 0.00 29.16 27.48 3kzi h TRP 113 CO 0.01 -0.03 0.00 0.72 -2.79 0.00 0.00 178.44 176.35 3kzi n HIS 114 N -5.14 0.61 -0.05 2.65 8.25 -0.66 -1.31 115.22 119.57 3kzi n HIS 114 Ca 0.01 0.26 -0.19 0.00 -0.26 0.00 0.00 57.72 57.55 3kzi n HIS 114 Cb 0.17 -0.93 -0.13 0.00 1.12 0.00 0.00 29.99 30.22 3kzi n HIS 114 CO 0.00 0.00 0.00 2.35 0.64 0.00 0.00 176.34 179.33 3kzi h TRP 115 N 0.00 0.15 -0.42 4.41 2.91 -0.58 -3.32 115.95 119.10 3kzi h TRP 115 Ca 0.00 -0.11 -0.10 0.00 1.13 0.00 0.00 58.89 59.81 3kzi h TRP 115 Cb 0.22 -0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 28.85 3kzi h TRP 115 CO 0.00 1.30 -0.13 0.28 -1.03 0.00 0.00 178.44 178.86 3kzi h VAL 116 N -0.79 1.28 -2.17 2.65 2.07 -1.16 -3.24 116.25 114.88 3kzi h VAL 116 Ca -0.18 -1.24 -0.80 0.00 0.82 0.00 0.00 66.70 65.30 3kzi h VAL 116 Cb 1.32 1.21 -0.25 0.00 -1.52 0.00 0.00 31.29 32.05 3kzi h VAL 116 CO -0.03 0.42 1.21 -1.22 0.02 0.00 0.00 177.57 177.97 3kzi n TYR 117 N -4.29 2.67 0.11 1.57 4.01 -0.43 -4.71 117.16 116.10 3kzi n TYR 117 Ca -0.01 -2.60 -0.03 0.00 -0.16 0.00 0.00 57.90 55.10 3kzi n TYR 117 Cb 0.38 -1.31 0.06 0.00 -0.31 0.00 0.00 39.34 38.16 3kzi n TYR 117 CO 0.00 0.00 0.00 0.11 -0.46 0.00 0.00 176.86 176.51 3kzi h TRP 118 N 4.47 0.00 -1.45 -0.72 5.08 -1.65 -3.36 115.95 118.32 3kzi h TRP 118 Ca 0.51 0.00 -0.64 0.00 1.08 0.00 0.00 58.89 59.84 3kzi h TRP 118 Cb 0.37 0.00 -0.20 0.00 -3.00 0.00 0.00 29.16 26.32 3kzi h TRP 118 CO 1.33 0.74 0.91 -3.47 -1.28 0.00 0.00 178.44 176.68 3kzi n ASP 119 N -3.55 7.07 -4.78 0.11 2.03 -1.26 -4.07 116.55 112.09 3kzi n ASP 119 Ca -0.00 -3.42 -0.35 0.00 0.52 0.00 0.00 54.79 51.53 3kzi n ASP 119 Cb 0.75 -1.20 -0.02 0.00 -0.72 0.00 0.00 41.12 39.93 3kzi n ASP 119 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3kzi s LEU 120 N -2.91 3.87 0.38 -2.67 1.43 -1.26 -4.92 118.68 112.59 3kzi s LEU 120 Ca 0.55 2.09 0.08 0.00 -1.03 0.00 0.00 54.13 55.82 3kzi s LEU 120 Cb 0.36 -4.48 0.74 0.00 0.03 0.00 0.00 46.19 42.84 3kzi s LEU 120 CO -0.25 -0.93 1.90 1.05 0.23 0.00 0.00 176.35 178.35 3kzi h GLU 121 N 1.60 0.29 -0.21 1.70 -0.00 -1.95 -3.10 114.58 112.91 3kzi h GLU 121 Ca -0.50 -0.07 0.06 0.00 -0.00 0.00 0.00 59.36 58.86 3kzi h GLU 121 Cb 1.24 -0.04 -0.01 0.00 -0.00 0.00 0.00 28.75 29.94 3kzi h GLU 121 CO 0.59 0.41 0.68 1.25 -0.00 0.00 0.00 179.01 181.94 3kzi h LEU 122 N 0.28 0.00 -0.16 3.06 5.85 -1.99 0.39 115.31 122.74 3kzi h LEU 122 Ca 0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3kzi h LEU 122 Cb 0.37 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.40 3kzi h LEU 122 CO 0.02 0.00 -0.71 0.49 -0.34 0.00 0.00 178.44 177.90 3kzi n PHE 123 N -2.95 0.00 -3.52 1.25 3.72 -1.17 -4.87 117.46 109.92 3kzi n PHE 123 Ca 0.04 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.07 3kzi n PHE 123 Cb 0.77 -0.10 -0.06 0.00 -0.94 0.00 0.00 39.48 39.15 3kzi n PHE 123 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3kzi s ARG 124 N -2.90 4.11 -0.06 -1.08 1.81 0.14 0.19 118.95 121.16 3kzi s ARG 124 Ca 0.12 0.22 -0.30 0.00 -1.72 0.00 0.00 55.73 54.05 3kzi s ARG 124 Cb 0.17 -3.36 -0.03 0.00 -0.45 0.00 0.00 34.95 31.29 3kzi s ARG 124 CO 0.75 0.39 1.13 0.34 -0.68 0.00 0.00 175.30 177.22 3kzi s ASP 125 N -0.02 7.12 0.22 0.23 2.15 -0.48 -4.83 116.67 121.06 3kzi s ASP 125 Ca 0.20 1.73 -0.09 0.00 0.43 0.00 0.00 52.55 54.81 3kzi s ASP 125 Cb -0.14 -2.56 0.34 0.00 -0.30 0.00 0.00 42.92 40.26 3kzi s ASP 125 CO 0.07 -0.53 1.67 -0.65 -0.17 0.00 0.00 175.17 175.56 3kzi h PRO 126 N 7.29 0.15 0.00 4.34 0.11 -1.93 0.88 132.00 142.84 3kzi h PRO 126 Ca -0.34 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3kzi h PRO 126 Cb 1.16 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3kzi h PRO 126 CO 0.87 0.10 0.00 -2.13 -0.21 0.00 0.00 178.00 176.62 3kzi n ARG 127 N -5.26 0.00 0.07 1.05 3.00 -1.26 -3.51 116.66 110.75 3kzi n ARG 127 Ca 0.10 0.15 0.09 0.00 -0.00 0.00 0.00 57.85 58.19 3kzi n ARG 127 Cb 0.38 -1.06 0.40 0.00 0.00 0.00 0.00 32.46 32.18 3kzi n ARG 127 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 3kzi n THR 128 N -0.78 0.96 -0.94 5.15 -2.24 -1.21 -4.87 114.28 110.35 3kzi n THR 128 Ca 0.00 0.27 0.00 0.00 -2.27 0.00 0.00 64.05 62.05 3kzi n THR 128 Cb 0.00 -1.13 0.00 0.00 -2.10 0.00 0.00 70.33 67.10 3kzi n THR 128 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kzi n GLY 129 N -0.11 0.08 3.54 3.38 0.00 0.31 -4.96 105.19 107.42 3kzi n GLY 129 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 3kzi n GLY 129 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kzi s GLU 130 N -1.60 1.93 0.10 1.61 -1.05 -1.25 -4.70 118.70 113.74 3kzi s GLU 130 Ca 0.00 -1.43 -0.35 0.00 -0.15 0.00 0.00 54.97 53.04 3kzi s GLU 130 Cb 0.00 -2.03 -0.18 0.00 -0.44 0.00 0.00 34.13 31.48 3kzi s GLU 130 CO 0.00 0.40 1.07 -0.35 0.95 0.00 0.00 175.26 177.32 3kzi n PRO 131 N -0.20 0.59 -3.61 -4.83 -0.04 -1.26 -1.38 135.00 124.27 3kzi n PRO 131 Ca -0.09 0.21 -0.10 0.00 -0.04 0.00 0.00 63.50 63.48 3kzi n PRO 131 Cb 0.57 -1.66 -0.06 0.00 -0.04 0.00 0.00 33.50 32.31 3kzi n PRO 131 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kzi s ALA 132 N -0.13 -1.95 -0.09 0.55 0.00 0.50 -4.77 121.76 115.87 3kzi s ALA 132 Ca 0.80 1.72 0.01 0.00 0.00 0.00 0.00 51.96 54.48 3kzi s ALA 132 Cb -1.03 -1.05 0.02 0.00 0.00 0.00 0.00 23.12 21.06 3kzi s ALA 132 CO 0.53 -0.27 -0.10 -0.51 0.00 0.00 0.00 175.76 175.41 3kzi s LEU 133 N -0.48 1.45 -1.23 0.00 1.43 -1.26 -4.45 118.68 114.14 3kzi s LEU 133 Ca 0.00 -0.32 -0.20 0.00 -1.03 0.00 0.00 54.13 52.59 3kzi s LEU 133 Cb -0.03 -0.87 0.04 0.00 0.03 0.00 0.00 46.19 45.37 3kzi s LEU 133 CO -0.02 -0.04 1.72 -0.62 0.23 0.00 0.00 176.35 177.61 3kzi s ASP 134 N 1.21 6.52 0.11 2.29 2.15 -1.26 -4.86 116.67 122.82 3kzi s ASP 134 Ca -0.04 -2.13 -0.32 0.00 0.43 0.00 0.00 52.55 50.49 3kzi s ASP 134 Cb -0.14 -2.58 -0.12 0.00 -0.30 0.00 0.00 42.92 39.78 3kzi s ASP 134 CO -0.03 -1.50 1.52 -0.07 -0.17 0.00 0.00 175.17 174.92 3kzi h LEU 135 N 13.37 -1.62 -0.99 -1.34 3.38 -1.97 -2.18 115.31 123.96 3kzi h LEU 135 Ca 0.37 0.19 0.37 0.00 0.09 0.00 0.00 57.88 58.90 3kzi h LEU 135 Cb 0.91 0.63 -0.17 0.00 0.09 0.00 0.00 40.66 42.11 3kzi h LEU 135 CO 1.42 -0.46 0.46 -0.65 0.09 0.00 0.00 178.44 179.30 3kzi h PRO 136 N -0.55 0.07 0.01 1.13 0.11 -1.95 0.74 132.00 131.56 3kzi h PRO 136 Ca 0.03 -0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.88 3kzi h PRO 136 Cb 0.64 -0.02 0.02 0.00 0.11 0.00 0.00 31.00 31.75 3kzi h PRO 136 CO -0.41 0.05 -1.03 -0.22 -0.21 0.00 0.00 178.00 176.19 3kzi h LYS 137 N 0.08 0.60 0.50 1.05 3.64 -1.71 -2.86 116.57 117.87 3kzi h LYS 137 Ca 0.78 -0.66 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 3kzi h LYS 137 Cb 1.94 0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 33.93 3kzi h LYS 137 CO -0.75 1.26 -0.38 0.52 -2.27 0.00 0.00 179.45 177.82 3kzi h MET 138 N 0.33 -0.83 -0.82 1.90 2.86 0.98 -0.41 114.93 118.94 3kzi h MET 138 Ca -0.12 0.06 0.20 0.00 -2.06 0.00 0.00 59.70 57.78 3kzi h MET 138 Cb 1.67 0.19 -0.13 0.00 0.06 0.00 0.00 31.60 33.40 3kzi h MET 138 CO 0.19 -0.56 0.23 0.35 1.06 0.00 0.00 176.91 178.18 3kzi h PHE 139 N -0.86 0.35 0.02 -0.22 3.57 -0.80 0.59 116.94 119.58 3kzi h PHE 139 Ca -0.05 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.49 3kzi h PHE 139 Cb 0.73 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.45 3kzi h PHE 139 CO -0.15 -0.14 -0.02 0.78 -2.23 0.00 0.00 178.31 176.55 3kzi h GLY 140 N 0.26 -0.03 0.24 2.40 0.00 -1.16 -0.08 103.07 104.69 3kzi h GLY 140 Ca 0.49 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.83 3kzi h GLY 140 CO -0.58 -0.02 -0.26 -2.22 0.00 0.00 0.00 176.54 173.46 3kzi h ILE 141 N -0.04 0.00 -0.53 2.60 2.04 0.70 -1.35 117.51 120.94 3kzi h ILE 141 Ca 0.00 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.96 3kzi h ILE 141 Cb 0.03 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.01 3kzi h ILE 141 CO -0.00 0.00 -0.24 0.45 0.00 0.00 0.00 178.15 178.36 3kzi h HIS 142 N -0.50 -0.61 -0.51 1.37 3.86 -0.97 0.20 115.15 117.99 3kzi h HIS 142 Ca -0.03 0.06 0.14 0.00 -1.16 0.00 0.00 60.37 59.37 3kzi h HIS 142 Cb 0.44 0.35 -0.02 0.00 1.06 0.00 0.00 27.41 29.23 3kzi h HIS 142 CO -0.19 -0.32 0.36 1.25 0.86 0.00 0.00 177.93 179.89 3kzi h LEU 143 N -0.11 0.06 -0.13 2.43 5.85 -0.89 -0.28 115.31 122.24 3kzi h LEU 143 Ca 0.24 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.93 3kzi h LEU 143 Cb 0.49 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 3kzi h LEU 143 CO -0.60 0.03 -0.06 0.15 -0.34 0.00 0.00 178.44 177.63 3kzi h PHE 144 N 0.06 0.30 -0.74 1.25 3.57 0.55 -2.42 116.94 119.51 3kzi h PHE 144 Ca 0.24 -0.07 -0.05 0.00 3.53 0.00 0.00 57.97 61.62 3kzi h PHE 144 Cb 0.88 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.51 3kzi h PHE 144 CO -0.00 0.59 0.28 -0.07 -2.23 0.00 0.00 178.31 176.88 3kzi h LEU 145 N -0.08 1.04 0.90 0.59 3.38 -0.57 -1.17 115.31 119.41 3kzi h LEU 145 Ca 0.03 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 3kzi h LEU 145 Cb 0.51 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 41.00 3kzi h LEU 145 CO 0.02 0.95 -0.46 0.00 0.09 0.00 0.00 178.44 179.03 3kzi h ALA 146 N 1.14 -1.32 -0.69 1.53 0.00 -1.09 0.60 119.26 119.42 3kzi h ALA 146 Ca 0.24 -0.27 0.11 0.00 0.00 0.00 0.00 54.91 55.00 3kzi h ALA 146 Cb 0.24 0.52 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 3kzi h ALA 146 CO -0.02 -1.24 0.46 0.78 0.00 0.00 0.00 179.25 179.23 3kzi h GLY 147 N -1.25 0.73 1.03 0.00 0.00 -1.41 1.31 103.07 103.49 3kzi h GLY 147 Ca -0.12 -0.20 -0.04 0.00 0.00 0.00 0.00 47.33 46.96 3kzi h GLY 147 CO 0.18 0.11 0.28 -2.00 0.00 0.00 0.00 176.54 175.11 3kzi h LEU 148 N 0.49 1.01 0.17 3.11 5.85 -0.86 0.12 115.31 125.20 3kzi h LEU 148 Ca 0.33 -0.18 -0.32 0.00 0.84 0.00 0.00 57.88 58.55 3kzi h LEU 148 Cb 0.61 -0.26 0.03 0.00 0.37 0.00 0.00 40.66 41.41 3kzi h LEU 148 CO -0.10 0.92 -1.34 0.25 -0.34 0.00 0.00 178.44 177.82 3kzi h LEU 149 N 1.05 0.88 -0.13 2.25 5.85 0.15 -2.71 115.31 122.66 3kzi h LEU 149 Ca 0.24 -0.86 0.04 0.00 0.84 0.00 0.00 57.88 58.14 3kzi h LEU 149 Cb 0.23 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 3kzi h LEU 149 CO -0.02 1.66 -0.13 0.00 -0.34 0.00 0.00 178.44 179.61 3kzi h PHE 151 N -0.15 -1.29 -0.70 0.00 3.57 -0.66 -2.21 116.94 115.51 3kzi h PHE 151 Ca 0.09 0.04 0.15 0.00 3.53 0.00 0.00 57.97 61.78 3kzi h PHE 151 Cb 0.28 0.56 -0.11 0.00 2.79 0.00 0.00 35.95 39.47 3kzi h PHE 151 CO -0.25 -0.47 0.09 0.78 -2.23 0.00 0.00 178.31 176.23 3kzi h GLY 152 N -0.56 0.87 0.42 2.40 0.00 -1.12 0.51 103.07 105.58 3kzi h GLY 152 Ca 0.01 0.03 0.06 0.00 0.00 0.00 0.00 47.33 47.42 3kzi h GLY 152 CO -0.28 -0.21 -0.09 -2.75 0.00 0.00 0.00 176.54 173.20 3kzi h PHE 153 N 0.19 -0.21 -0.16 5.60 3.57 -0.51 0.30 116.94 125.73 3kzi h PHE 153 Ca 0.38 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.81 3kzi h PHE 153 Cb 0.65 0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.52 3kzi h PHE 153 CO -0.32 -0.15 -0.27 0.78 -2.23 0.00 0.00 178.31 176.12 3kzi h GLY 154 N -0.04 0.50 1.00 2.40 0.00 -0.73 -2.13 103.07 104.07 3kzi h GLY 154 Ca 0.13 -0.58 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3kzi h GLY 154 CO -0.29 0.52 0.14 0.00 0.00 0.00 0.00 176.54 176.91 3kzi h ALA 155 N 0.57 0.27 0.00 3.60 0.00 0.31 -3.21 119.26 120.81 3kzi h ALA 155 Ca 0.01 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.62 3kzi h ALA 155 Cb 0.86 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.51 3kzi h ALA 155 CO 0.06 -0.24 -2.06 1.19 0.00 0.00 0.00 179.25 178.20 3kzi n PHE 156 N -4.93 0.00 0.03 0.00 3.72 0.10 -4.44 117.46 111.94 3kzi n PHE 156 Ca -0.03 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.35 3kzi n PHE 156 Cb 0.03 -0.73 -0.01 0.00 -0.94 0.00 0.00 39.48 37.83 3kzi n PHE 156 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 3kzi h HIS 157 N 0.00 -0.10 -0.05 1.38 2.76 -1.42 -1.56 115.15 116.16 3kzi h HIS 157 Ca -0.42 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 57.74 3kzi h HIS 157 Cb 1.73 0.03 -0.00 0.00 1.55 0.00 0.00 27.41 30.72 3kzi h HIS 157 CO 0.02 -0.06 -0.02 -0.07 -1.30 0.00 0.00 177.93 176.49 3kzi h LEU 158 N -0.33 0.07 0.00 0.26 3.38 -1.54 -2.50 115.31 114.64 3kzi h LEU 158 Ca -0.01 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3kzi h LEU 158 Cb 0.09 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 3kzi h LEU 158 CO 0.02 0.11 -0.17 0.71 0.09 0.00 0.00 178.44 179.20 3kzi h THR 159 N 0.08 0.09 0.00 0.22 1.35 -1.64 0.78 112.91 113.79 3kzi h THR 159 Ca 0.02 -1.14 0.00 0.00 -0.55 0.00 0.00 66.41 64.74 3kzi h THR 159 Cb 0.10 1.99 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 3kzi h THR 159 CO 0.00 0.05 0.00 0.61 -0.25 0.00 0.00 175.52 175.94 3kzi n GLY 160 N 1.12 1.10 0.46 5.82 0.00 -0.98 -4.24 105.19 108.47 3kzi n GLY 160 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 3kzi n GLY 160 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kzi h LEU 161 N 0.00 -1.81 -5.96 0.99 4.07 -1.76 -3.27 115.31 107.57 3kzi h LEU 161 Ca 0.00 0.23 -0.53 0.00 0.08 0.00 0.00 57.88 57.66 3kzi h LEU 161 Cb 0.00 0.73 -0.40 0.00 1.08 0.00 0.00 40.66 42.07 3kzi h LEU 161 CO 0.00 -0.43 -1.08 0.33 -1.08 0.00 0.00 178.44 176.17 3kzi n PHE 162 N -5.40 0.45 0.00 1.13 7.35 -0.61 -5.07 117.46 115.32 3kzi n PHE 162 Ca -0.04 -3.75 0.00 0.00 -0.76 0.00 0.00 57.45 52.90 3kzi n PHE 162 Cb 0.36 -0.40 0.00 0.00 0.35 0.00 0.00 39.48 39.78 3kzi n PHE 162 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3kzi n GLY 163 N 0.75 -0.64 0.08 7.13 0.00 -1.09 -4.33 105.19 107.09 3kzi n GLY 163 Ca 0.24 -1.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.13 3kzi n GLY 163 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kzi h PRO 164 N 0.00 0.10 0.00 1.61 0.13 -1.86 -3.38 132.00 128.60 3kzi h PRO 164 Ca 0.00 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 3kzi h PRO 164 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 3kzi h PRO 164 CO 0.00 0.70 0.00 0.41 -0.23 0.00 0.00 178.00 178.88 3kzi n GLY 165 N 0.60 0.17 3.65 1.56 0.00 -0.98 -4.08 105.19 106.11 3kzi n GLY 165 Ca -0.09 -1.84 -0.09 0.00 0.00 0.00 0.00 46.02 44.00 3kzi n GLY 165 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3kzi s MET 166 N -0.30 1.69 0.06 1.61 0.23 -0.99 -4.45 119.30 117.15 3kzi s MET 166 Ca 0.00 -1.26 -0.31 0.00 -1.03 0.00 0.00 55.69 53.09 3kzi s MET 166 Cb 0.00 0.51 -0.06 0.00 -1.53 0.00 0.00 34.83 33.75 3kzi s MET 166 CO 0.00 -0.73 1.24 -0.46 -2.03 0.00 0.00 175.02 173.05 3kzi s TRP 167 N -3.77 3.36 -0.01 3.16 -0.11 -0.51 -1.36 118.94 119.70 3kzi s TRP 167 Ca 0.20 1.21 0.01 0.00 1.22 0.00 0.00 56.10 58.74 3kzi s TRP 167 Cb -0.02 -3.48 0.01 0.00 -1.50 0.00 0.00 33.47 28.47 3kzi s TRP 167 CO 0.10 -1.54 -0.03 0.08 -4.62 0.00 0.00 176.95 170.94 3kzi s VAL 168 N 1.19 0.29 0.16 5.86 1.01 0.83 -4.95 120.40 124.79 3kzi s VAL 168 Ca 0.60 -0.11 -0.06 0.00 0.00 0.00 0.00 61.98 62.42 3kzi s VAL 168 Cb -0.31 -0.28 -0.02 0.00 0.00 0.00 0.00 36.38 35.77 3kzi s VAL 168 CO 0.29 0.11 0.20 -0.55 0.00 0.00 0.00 175.10 175.15 3kzi s SER 169 N 0.21 0.14 1.05 3.32 0.15 -1.26 -0.99 113.70 116.32 3kzi s SER 169 Ca -0.02 -1.04 -0.05 0.00 0.70 0.00 0.00 55.95 55.54 3kzi s SER 169 Cb -0.05 0.39 0.07 0.00 -1.71 0.00 0.00 66.02 64.72 3kzi s SER 169 CO -0.00 -0.85 0.28 -0.90 1.20 0.00 0.00 173.24 172.97 3kzi n ASP 170 N -0.19 -1.04 0.00 5.45 5.75 -1.26 -4.88 116.55 120.38 3kzi n ASP 170 Ca -0.05 -0.75 0.09 0.00 -0.01 0.00 0.00 54.79 54.07 3kzi n ASP 170 Cb 0.63 -0.25 0.50 0.00 -1.03 0.00 0.00 41.12 40.98 3kzi n ASP 170 CO 0.00 0.00 0.00 -2.65 -0.11 0.00 0.00 177.20 174.44 3kzi n PRO 171 N -2.22 0.34 -2.32 0.11 -0.02 -1.26 -3.59 135.00 126.05 3kzi n PRO 171 Ca 0.04 0.08 -0.01 0.00 -2.02 0.00 0.00 63.50 61.59 3kzi n PRO 171 Cb 0.15 -1.50 0.05 0.00 -0.02 0.00 0.00 33.50 32.17 3kzi n PRO 171 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3kzi n TYR 172 N -1.22 1.01 -2.64 6.00 4.01 -1.26 -5.04 117.16 118.02 3kzi n TYR 172 Ca 0.10 -1.69 -0.17 0.00 -0.16 0.00 0.00 57.90 55.98 3kzi n TYR 172 Cb 0.13 -0.22 0.01 0.00 -0.31 0.00 0.00 39.34 38.96 3kzi n TYR 172 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kzi n GLY 173 N -0.34 -0.21 0.00 2.72 0.00 -1.24 -4.82 105.19 101.31 3kzi n GLY 173 Ca 0.11 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.61 3kzi n GLY 173 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kzi n LEU 174 N -0.69 0.00 -0.01 0.99 4.77 -1.26 -4.88 117.00 115.91 3kzi n LEU 174 Ca -0.10 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 55.91 3kzi n LEU 174 Cb 0.36 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.37 3kzi n LEU 174 CO 0.30 0.00 -0.66 0.41 -1.33 0.00 0.00 177.39 176.11 3kzi n THR 175 N -0.58 0.15 0.00 -5.08 -1.04 -1.26 -5.05 114.28 101.42 3kzi n THR 175 Ca 0.00 -0.26 0.00 0.00 -2.04 0.00 0.00 64.05 61.75 3kzi n THR 175 Cb 0.06 0.03 0.00 0.00 -1.82 0.00 0.00 70.33 68.59 3kzi n THR 175 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kzi n GLY 176 N 2.06 0.00 0.00 3.41 0.00 -1.26 -4.90 105.19 104.51 3kzi n GLY 176 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3kzi n GLY 176 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kzi n SER 177 N 0.00 0.00 -4.65 1.61 3.41 -0.16 -4.95 113.62 108.87 3kzi n SER 177 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.21 3kzi n SER 177 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 3kzi n SER 177 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3kzi s VAL 178 N -2.00 5.06 -0.03 -3.33 1.01 -1.26 -0.12 120.40 119.73 3kzi s VAL 178 Ca 0.00 1.05 -0.08 0.00 0.00 0.00 0.00 61.98 62.95 3kzi s VAL 178 Cb 0.00 -3.89 0.01 0.00 0.00 0.00 0.00 36.38 32.50 3kzi s VAL 178 CO 0.00 0.13 0.19 -1.10 0.00 0.00 0.00 175.10 174.31 3kzi s GLN 179 N 1.89 0.41 0.14 2.72 -1.52 -0.47 -4.87 119.66 117.97 3kzi s GLN 179 Ca 0.26 -0.11 -0.31 0.00 -1.95 0.00 0.00 55.36 53.25 3kzi s GLN 179 Cb -0.16 0.18 -0.09 0.00 -0.22 0.00 0.00 33.01 32.73 3kzi s GLN 179 CO 0.10 -0.09 1.46 -2.14 -0.25 0.00 0.00 175.29 174.37 3kzi s PRO 180 N -0.80 4.28 -0.16 2.91 0.02 -1.26 -2.35 135.00 137.63 3kzi s PRO 180 Ca -0.09 2.20 -0.03 0.00 0.02 0.00 0.00 61.00 63.11 3kzi s PRO 180 Cb -0.05 -3.20 -0.02 0.00 0.02 0.00 0.00 34.50 31.25 3kzi s PRO 180 CO 0.01 -0.50 -0.06 0.08 -0.33 0.00 0.00 177.00 176.20 3kzi s VAL 181 N 1.04 3.59 0.22 3.83 1.01 0.26 -4.96 120.40 125.40 3kzi s VAL 181 Ca 0.66 -0.46 -0.24 0.00 0.00 0.00 0.00 61.98 61.95 3kzi s VAL 181 Cb -0.40 -2.57 -0.09 0.00 0.00 0.00 0.00 36.38 33.33 3kzi s VAL 181 CO 0.31 0.49 0.80 0.00 0.00 0.00 0.00 175.10 176.70 3kzi s ALA 182 N 0.57 3.38 0.96 5.51 0.00 -1.26 -3.76 121.76 127.16 3kzi s ALA 182 Ca -0.04 0.34 -0.12 0.00 0.00 0.00 0.00 51.96 52.14 3kzi s ALA 182 Cb -0.15 -2.97 0.18 0.00 0.00 0.00 0.00 23.12 20.19 3kzi s ALA 182 CO 0.03 0.28 0.41 -2.30 0.00 0.00 0.00 175.76 174.17 3kzi n PRO 183 N 1.06 -1.41 -3.15 0.00 -0.02 -1.26 -4.40 135.00 125.82 3kzi n PRO 183 Ca -0.03 -0.68 0.05 0.00 -2.02 0.00 0.00 63.50 60.82 3kzi n PRO 183 Cb 0.50 -1.33 -0.00 0.00 -0.02 0.00 0.00 33.50 32.64 3kzi n PRO 183 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3kzi s GLU 184 N -3.39 0.36 0.00 -0.52 2.56 -1.17 -4.84 118.70 111.70 3kzi s GLU 184 Ca 0.31 0.39 0.23 0.00 0.00 0.00 0.00 54.97 55.90 3kzi s GLU 184 Cb -0.06 0.19 -0.00 0.00 2.00 0.00 0.00 34.13 36.26 3kzi s GLU 184 CO 0.26 -0.63 1.08 0.91 -0.56 0.00 0.00 175.26 176.33 3kzi n TRP 185 N 5.30 0.00 -0.10 5.30 8.01 -1.26 -4.59 117.44 130.10 3kzi n TRP 185 Ca 0.05 0.00 -0.05 0.00 -1.31 0.00 0.00 57.50 56.19 3kzi n TRP 185 Cb 0.55 -0.01 0.05 0.00 -2.01 0.00 0.00 31.31 29.89 3kzi n TRP 185 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3kzi n GLY 186 N 1.43 -3.64 0.13 6.99 0.00 -1.26 -4.88 105.19 103.97 3kzi n GLY 186 Ca 0.08 -1.26 -0.17 0.00 0.00 0.00 0.00 46.02 44.67 3kzi n GLY 186 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kzi h PRO 187 N 0.00 0.37 0.00 1.61 0.13 -2.04 -3.17 132.00 128.90 3kzi h PRO 187 Ca -0.07 -0.38 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3kzi h PRO 187 Cb 0.23 0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.46 3kzi h PRO 187 CO 0.04 1.06 0.00 -3.47 -0.23 0.00 0.00 178.00 175.40 3kzi n ASP 188 N -4.28 0.00 -0.22 1.44 2.03 -1.26 -0.80 116.55 113.46 3kzi n ASP 188 Ca -0.10 0.02 0.13 0.00 0.52 0.00 0.00 54.79 55.36 3kzi n ASP 188 Cb 0.63 -0.02 0.67 0.00 -0.72 0.00 0.00 41.12 41.68 3kzi n ASP 188 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kzi n GLY 189 N -0.98 -0.53 0.90 0.27 0.00 -1.20 -2.76 105.19 100.89 3kzi n GLY 189 Ca 0.00 -0.29 0.09 0.00 0.00 0.00 0.00 46.02 45.83 3kzi n GLY 189 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kzi n PHE 190 N -0.43 0.42 -2.78 1.61 3.01 0.02 -4.14 117.46 115.17 3kzi n PHE 190 Ca 0.19 -0.28 -0.42 0.00 1.01 0.00 0.00 57.45 57.95 3kzi n PHE 190 Cb 0.20 -0.01 -0.03 0.00 -0.01 0.00 0.00 39.48 39.63 3kzi n PHE 190 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 3kzi s ASN 191 N -1.23 6.86 0.52 4.37 3.84 -1.11 -4.94 114.94 123.25 3kzi s ASN 191 Ca 0.30 0.99 0.31 0.00 0.21 0.00 0.00 52.86 54.67 3kzi s ASN 191 Cb 0.18 -2.48 1.44 0.00 -0.55 0.00 0.00 41.25 39.83 3kzi s ASN 191 CO 0.24 -0.70 1.85 1.55 -2.79 0.00 0.00 177.10 177.25 3kzi h PRO 192 N 7.91 0.07 -0.27 0.43 0.13 -1.90 -1.53 132.00 136.84 3kzi h PRO 192 Ca -0.22 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 3kzi h PRO 192 Cb 1.08 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3kzi h PRO 192 CO 0.95 0.05 0.00 0.66 -0.23 0.00 0.00 178.00 179.43 3kzi n TYR 193 N -4.29 0.34 -3.94 1.56 4.01 -1.26 -1.89 117.16 111.68 3kzi n TYR 193 Ca 0.21 -0.17 -0.35 0.00 -0.16 0.00 0.00 57.90 57.44 3kzi n TYR 193 Cb 1.02 -0.01 -0.14 0.00 -0.31 0.00 0.00 39.34 39.90 3kzi n TYR 193 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 3kzi s ASN 194 N -0.97 4.34 0.29 7.72 3.84 -0.58 -4.60 114.94 124.98 3kzi s ASN 194 Ca 0.17 -0.80 0.03 0.00 0.21 0.00 0.00 52.86 52.47 3kzi s ASN 194 Cb 0.09 -1.68 0.62 0.00 -0.55 0.00 0.00 41.25 39.73 3kzi s ASN 194 CO 0.11 -0.12 1.82 -0.65 -2.79 0.00 0.00 177.10 175.47 3kzi h PRO 195 N 8.04 0.89 -1.07 0.43 0.11 -1.87 -1.64 132.00 136.89 3kzi h PRO 195 Ca -0.34 -0.05 0.30 0.00 0.11 0.00 0.00 66.00 66.02 3kzi h PRO 195 Cb 1.12 -0.20 -0.06 0.00 0.11 0.00 0.00 31.00 31.97 3kzi h PRO 195 CO 0.58 0.59 0.75 0.78 -0.21 0.00 0.00 178.00 180.49 3kzi h GLY 196 N 0.91 0.29 1.82 -0.55 0.00 -1.88 0.28 103.07 103.94 3kzi h GLY 196 Ca 0.52 -0.05 -0.12 0.00 0.00 0.00 0.00 47.33 47.68 3kzi h GLY 196 CO -0.30 -0.03 -0.50 -1.33 0.00 0.00 0.00 176.54 174.38 3kzi h GLY 197 N 0.10 0.21 2.00 4.60 0.00 -1.45 -1.63 103.07 106.90 3kzi h GLY 197 Ca 0.53 -0.23 -0.06 0.00 0.00 0.00 0.00 47.33 47.58 3kzi h GLY 197 CO -0.07 0.20 -0.29 -2.08 0.00 0.00 0.00 176.54 174.30 3kzi h VAL 198 N 0.15 0.74 0.03 4.60 2.07 -0.56 -2.01 116.25 121.27 3kzi h VAL 198 Ca 0.00 -1.24 -0.00 0.00 0.82 0.00 0.00 66.70 66.28 3kzi h VAL 198 Cb 0.95 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 3kzi h VAL 198 CO 0.08 0.28 -0.01 0.58 0.02 0.00 0.00 177.57 178.51 3kzi h VAL 199 N 0.00 0.00 -0.85 2.57 2.07 -1.29 -3.24 116.25 115.50 3kzi h VAL 199 Ca -0.00 -0.73 0.14 0.00 0.82 0.00 0.00 66.70 66.94 3kzi h VAL 199 Cb 0.76 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.38 3kzi h VAL 199 CO 0.04 0.00 -0.34 0.00 0.02 0.00 0.00 177.57 177.29 3kzi h ALA 200 N -1.26 0.19 -0.57 1.67 0.00 -1.34 -1.45 119.26 116.50 3kzi h ALA 200 Ca -0.00 0.26 0.08 0.00 0.00 0.00 0.00 54.91 55.25 3kzi h ALA 200 Cb 0.03 0.87 -0.10 0.00 0.00 0.00 0.00 17.79 18.59 3kzi h ALA 200 CO 0.01 -0.59 -0.46 1.25 0.00 0.00 0.00 179.25 179.46 3kzi h HIS 201 N -0.05 -1.37 0.00 0.00 6.17 -1.51 0.12 115.15 118.51 3kzi h HIS 201 Ca 0.33 0.08 -0.03 0.00 0.71 0.00 0.00 60.37 61.46 3kzi h HIS 201 Cb 0.59 0.68 -0.00 0.00 2.52 0.00 0.00 27.41 31.20 3kzi h HIS 201 CO -0.76 -0.43 -0.14 0.45 0.71 0.00 0.00 177.93 177.76 3kzi h HIS 202 N -0.25 0.00 0.02 5.26 3.86 -1.30 0.54 115.15 123.28 3kzi h HIS 202 Ca 0.16 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.33 3kzi h HIS 202 Cb 0.56 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.04 3kzi h HIS 202 CO -0.73 0.14 -0.17 0.82 0.86 0.00 0.00 177.93 178.85 3kzi h ILE 203 N 0.00 1.69 0.60 2.45 2.04 -0.89 -1.39 117.51 122.01 3kzi h ILE 203 Ca -0.00 -2.25 -0.03 0.00 1.00 0.00 0.00 64.86 63.58 3kzi h ILE 203 Cb 0.33 3.21 0.01 0.00 -0.74 0.00 0.00 36.82 39.62 3kzi h ILE 203 CO 0.02 0.60 -0.29 0.00 0.00 0.00 0.00 178.15 178.48 3kzi h ALA 204 N 0.08 -0.81 -0.61 1.87 0.00 -0.65 -1.65 119.26 117.49 3kzi h ALA 204 Ca -0.03 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.77 3kzi h ALA 204 Cb 1.08 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 19.14 3kzi h ALA 204 CO 0.03 -0.77 0.41 0.00 0.00 0.00 0.00 179.25 178.92 3kzi h ALA 205 N -1.11 1.87 0.09 0.00 0.00 -0.10 0.13 119.26 120.13 3kzi h ALA 205 Ca -0.08 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3kzi h ALA 205 Cb 0.64 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3kzi h ALA 205 CO 0.14 0.02 -0.04 0.78 0.00 0.00 0.00 179.25 180.15 3kzi h GLY 206 N 0.54 -0.12 1.02 0.00 0.00 -1.20 0.31 103.07 103.62 3kzi h GLY 206 Ca 0.27 0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.61 3kzi h GLY 206 CO -0.08 -0.04 -0.38 -2.22 0.00 0.00 0.00 176.54 173.81 3kzi h ILE 207 N -0.14 0.22 -1.04 2.60 2.04 -0.26 0.21 117.51 121.14 3kzi h ILE 207 Ca -0.01 0.00 0.27 0.00 1.00 0.00 0.00 64.86 66.12 3kzi h ILE 207 Cb 0.11 0.22 -0.08 0.00 -0.74 0.00 0.00 36.82 36.33 3kzi h ILE 207 CO 0.02 0.00 0.69 0.58 0.00 0.00 0.00 178.15 179.44 3kzi h VAL 208 N -1.07 0.52 -0.21 1.67 2.07 -0.76 0.74 116.25 119.21 3kzi h VAL 208 Ca -0.11 -0.10 -0.15 0.00 0.82 0.00 0.00 66.70 67.16 3kzi h VAL 208 Cb 0.82 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 3kzi h VAL 208 CO 0.18 0.05 -0.51 1.23 0.02 0.00 0.00 177.57 178.54 3kzi h GLY 209 N 0.28 0.63 0.83 2.17 0.00 0.72 -1.52 103.07 106.18 3kzi h GLY 209 Ca 0.56 -0.71 -0.09 0.00 0.00 0.00 0.00 47.33 47.09 3kzi h GLY 209 CO -0.20 0.64 -0.23 -2.22 0.00 0.00 0.00 176.54 174.53 3kzi h ILE 210 N 0.45 1.34 0.31 2.60 2.04 0.35 -2.11 117.51 122.50 3kzi h ILE 210 Ca 0.02 -1.41 -0.01 0.00 1.00 0.00 0.00 64.86 64.45 3kzi h ILE 210 Cb 1.05 1.82 -0.00 0.00 -0.74 0.00 0.00 36.82 38.94 3kzi h ILE 210 CO 0.10 0.43 -0.19 0.40 0.00 0.00 0.00 178.15 178.88 3kzi h ILE 211 N 0.15 0.00 -1.20 -0.67 2.04 -0.67 -2.73 117.51 114.43 3kzi h ILE 211 Ca 0.03 0.00 0.35 0.00 1.00 0.00 0.00 64.86 66.24 3kzi h ILE 211 Cb 0.78 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.76 3kzi h ILE 211 CO 0.05 0.00 0.78 0.00 0.00 0.00 0.00 178.15 178.99 3kzi h ALA 212 N -1.62 2.58 0.43 1.87 0.00 -1.36 0.72 119.26 121.89 3kzi h ALA 212 Ca -0.04 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3kzi h ALA 212 Cb 0.38 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3kzi h ALA 212 CO 0.04 -1.07 -0.21 0.78 0.00 0.00 0.00 179.25 178.79 3kzi h GLY 213 N 0.21 -0.60 -0.08 0.00 0.00 -1.19 -2.32 103.07 99.10 3kzi h GLY 213 Ca 0.69 0.22 0.10 0.00 0.00 0.00 0.00 47.33 48.35 3kzi h GLY 213 CO -0.31 -0.22 -0.17 1.41 0.00 0.00 0.00 176.54 177.25 3kzi h LEU 214 N -0.67 -0.60 -0.42 3.11 3.38 -0.57 0.43 115.31 119.97 3kzi h LEU 214 Ca -0.06 0.16 0.05 0.00 0.09 0.00 0.00 57.88 58.13 3kzi h LEU 214 Cb 0.49 0.36 -0.08 0.00 0.09 0.00 0.00 40.66 41.52 3kzi h LEU 214 CO 0.10 -0.20 -0.55 0.15 0.09 0.00 0.00 178.44 178.02 3kzi h PHE 215 N -0.05 -1.68 0.00 1.13 3.57 -1.28 0.56 116.94 119.18 3kzi h PHE 215 Ca 0.24 0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.82 3kzi h PHE 215 Cb 0.42 0.79 0.00 0.00 2.79 0.00 0.00 35.95 39.95 3kzi h PHE 215 CO -0.46 -0.49 0.00 0.45 -2.23 0.00 0.00 178.31 175.58 3kzi h HIS 216 N -0.39 0.00 0.00 0.41 3.86 -0.68 0.44 115.15 118.79 3kzi h HIS 216 Ca 0.08 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.23 3kzi h HIS 216 Cb 0.59 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.05 3kzi h HIS 216 CO -0.73 0.00 -0.65 0.82 0.86 0.00 0.00 177.93 178.23 3kzi h ILE 217 N 0.00 0.33 0.00 2.45 2.04 0.22 -3.40 117.51 119.14 3kzi h ILE 217 Ca 0.00 -1.51 0.00 0.00 1.00 0.00 0.00 64.86 64.35 3kzi h ILE 217 Cb 0.13 1.99 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 3kzi h ILE 217 CO 0.00 0.19 -0.12 0.18 0.00 0.00 0.00 178.15 178.40 3kzi n LEU 218 N -2.99 0.26 -4.76 1.44 4.77 0.14 -4.99 117.00 110.87 3kzi n LEU 218 Ca -0.00 0.04 -0.41 0.00 -0.03 0.00 0.00 56.01 55.61 3kzi n LEU 218 Cb 0.65 -0.44 -0.01 0.00 -2.33 0.00 0.00 43.42 41.28 3kzi n LEU 218 CO 0.39 -0.48 1.15 -0.69 -1.33 0.00 0.00 177.39 176.43 3kzi s VAL 219 N -1.25 2.22 0.33 4.08 1.01 0.13 -5.01 120.40 121.91 3kzi s VAL 219 Ca -0.03 0.21 0.01 0.00 0.00 0.00 0.00 61.98 62.16 3kzi s VAL 219 Cb 0.00 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.22 3kzi s VAL 219 CO 0.05 0.04 0.53 -0.13 0.00 0.00 0.00 175.10 175.59 3kzi s ARG 220 N -1.24 3.48 -0.03 2.72 1.81 -1.26 -4.60 118.95 119.82 3kzi s ARG 220 Ca 0.57 -0.38 -0.30 0.00 -1.72 0.00 0.00 55.73 53.90 3kzi s ARG 220 Cb -0.45 -2.69 -0.05 0.00 -0.45 0.00 0.00 34.95 31.31 3kzi s ARG 220 CO 0.54 0.18 1.46 -1.25 -0.68 0.00 0.00 175.30 175.55 3kzi s PRO 221 N -4.27 4.24 -0.08 3.54 0.04 -1.26 -4.95 135.00 132.26 3kzi s PRO 221 Ca 0.39 2.01 -0.37 0.00 0.04 0.00 0.00 61.00 63.07 3kzi s PRO 221 Cb -0.10 -3.70 -0.15 0.00 0.04 0.00 0.00 34.50 30.60 3kzi s PRO 221 CO 0.35 -0.67 1.66 -2.30 0.04 0.00 0.00 177.00 176.08 3kzi n PRO 222 N 5.99 1.57 -0.26 0.56 -0.02 -1.26 -4.63 135.00 136.95 3kzi n PRO 222 Ca 0.14 0.57 -0.01 0.00 -2.02 0.00 0.00 63.50 62.18 3kzi n PRO 222 Cb 0.43 -2.30 0.02 0.00 -0.02 0.00 0.00 33.50 31.63 3kzi n PRO 222 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3kzi n GLN 223 N 4.76 -0.17 -0.33 -0.52 7.27 -1.26 0.24 117.38 127.37 3kzi n GLN 223 Ca 0.22 1.02 0.09 0.00 0.07 0.00 0.00 57.00 58.40 3kzi n GLN 223 Cb 0.21 -1.51 0.20 0.00 2.41 0.00 0.00 30.24 31.56 3kzi n GLN 223 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3kzi h ARG 224 N 0.00 0.02 0.31 3.69 2.47 -2.00 -1.18 114.38 117.69 3kzi h ARG 224 Ca 0.22 -0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.92 3kzi h ARG 224 Cb 0.38 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.70 3kzi h ARG 224 CO -0.65 0.01 -0.15 -0.07 0.56 0.00 0.00 179.97 179.67 3kzi h LEU 225 N 0.02 -0.35 -1.66 3.04 3.38 -0.55 -1.28 115.31 117.91 3kzi h LEU 225 Ca 0.51 -0.09 0.52 0.00 0.09 0.00 0.00 57.88 58.91 3kzi h LEU 225 Cb 0.94 0.09 -0.11 0.00 0.09 0.00 0.00 40.66 41.67 3kzi h LEU 225 CO -0.91 0.12 1.12 0.22 0.09 0.00 0.00 178.44 179.07 3kzi h TYR 226 N -1.06 0.28 0.00 1.13 3.20 -0.96 0.54 116.97 120.11 3kzi h TYR 226 Ca -0.04 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.84 3kzi h TYR 226 Cb 0.42 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.62 3kzi h TYR 226 CO 0.02 -0.15 -0.00 0.87 -1.64 0.00 0.00 178.16 177.26 3kzi h LYS 227 N 0.01 -0.00 0.19 1.82 1.57 -1.23 -2.29 116.57 116.64 3kzi h LYS 227 Ca 0.90 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.68 3kzi h LYS 227 Cb 3.22 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 35.51 3kzi h LYS 227 CO -0.26 0.53 -0.29 0.00 -0.57 0.00 0.00 179.45 178.85 3kzi h ALA 228 N -0.47 -0.90 -0.01 3.86 0.00 0.12 -2.64 119.26 119.21 3kzi h ALA 228 Ca -0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3kzi h ALA 228 Cb 0.53 0.61 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 3kzi h ALA 228 CO 0.00 -0.94 0.01 1.28 0.00 0.00 0.00 179.25 179.60 3kzi n LEU 229 N -4.12 5.25 -1.85 0.00 4.77 0.62 -4.86 117.00 116.80 3kzi n LEU 229 Ca -0.06 -2.38 0.00 0.00 -0.03 0.00 0.00 56.01 53.54 3kzi n LEU 229 Cb 0.25 -1.09 0.00 0.00 -2.33 0.00 0.00 43.42 40.24 3kzi n LEU 229 CO 0.12 0.99 0.00 0.54 -1.33 0.00 0.00 177.39 177.71 3kzi n ARG 230 N 1.42 -0.83 -0.30 3.23 3.00 -1.00 -4.83 116.66 117.36 3kzi n ARG 230 Ca 0.01 0.00 -0.23 0.00 -0.01 0.00 0.00 57.85 57.62 3kzi n ARG 230 Cb 0.50 0.00 0.22 0.00 0.00 0.00 0.00 32.46 33.18 3kzi n ARG 230 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 3kzi n MET 231 N -0.72 -3.43 -1.50 5.56 2.81 -0.86 -2.81 117.12 116.17 3kzi n MET 231 Ca 0.00 -1.10 -0.17 0.00 -1.81 0.00 0.00 57.70 54.62 3kzi n MET 231 Cb 0.00 -1.61 -0.07 0.00 -0.71 0.00 0.00 33.22 30.83 3kzi n MET 231 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kzi n GLY 232 N -3.83 1.66 2.55 3.03 0.00 -1.26 -4.87 105.19 102.47 3kzi n GLY 232 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 3kzi n GLY 232 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kzi s ASN 233 N -2.53 3.50 0.47 1.61 2.47 -1.12 -5.03 114.94 114.31 3kzi s ASN 233 Ca 0.00 -1.50 0.23 0.00 0.42 0.00 0.00 52.86 52.01 3kzi s ASN 233 Cb 0.00 -0.43 1.25 0.00 -1.45 0.00 0.00 41.25 40.62 3kzi s ASN 233 CO 0.00 -0.41 1.87 -0.29 -3.72 0.00 0.00 177.10 174.55 3kzi h ILE 234 N 6.17 0.62 0.00 -5.21 2.10 -1.89 -1.25 117.51 118.05 3kzi h ILE 234 Ca -0.15 -0.08 0.00 0.00 1.08 0.00 0.00 64.86 65.71 3kzi h ILE 234 Cb 1.00 0.37 0.00 0.00 -1.09 0.00 0.00 36.82 37.10 3kzi h ILE 234 CO 0.41 0.04 0.00 1.21 -1.08 0.00 0.00 178.15 178.74 3kzi n GLU 235 N -4.42 0.36 -0.00 2.19 2.13 -1.26 -0.39 120.64 119.25 3kzi n GLU 235 Ca 0.19 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.01 3kzi n GLU 235 Cb 0.80 -1.11 -0.02 0.00 0.27 0.00 0.00 31.44 31.39 3kzi n GLU 235 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 3kzi n THR 236 N 0.01 0.05 0.02 6.31 5.66 -0.47 -4.15 114.28 121.70 3kzi n THR 236 Ca 0.00 -0.06 0.01 0.00 -3.05 0.00 0.00 64.05 60.95 3kzi n THR 236 Cb 0.06 -0.10 0.34 0.00 -1.55 0.00 0.00 70.33 69.08 3kzi n THR 236 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 3kzi h VAL 237 N 0.00 1.17 0.40 1.08 2.07 -0.83 -2.79 116.25 117.36 3kzi h VAL 237 Ca -0.02 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 3kzi h VAL 237 Cb 0.49 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 3kzi h VAL 237 CO 0.00 0.23 -0.19 0.25 0.02 0.00 0.00 177.57 177.87 3kzi h LEU 238 N 0.48 -0.46 -1.22 2.57 5.85 -1.74 -1.91 115.31 118.87 3kzi h LEU 238 Ca 0.11 -0.12 0.23 0.00 0.84 0.00 0.00 57.88 58.94 3kzi h LEU 238 Cb 0.24 0.12 -0.10 0.00 0.37 0.00 0.00 40.66 41.29 3kzi h LEU 238 CO 0.00 -0.11 0.63 0.28 -0.34 0.00 0.00 178.44 178.90 3kzi h SER 239 N -0.85 0.58 0.08 1.25 0.02 -1.68 -0.40 113.55 112.56 3kzi h SER 239 Ca -0.06 0.09 -0.17 0.00 -0.84 0.00 0.00 61.79 60.81 3kzi h SER 239 Cb 0.55 -0.01 0.02 0.00 0.14 0.00 0.00 62.40 63.10 3kzi h SER 239 CO 0.09 0.16 -0.72 0.77 -1.14 0.00 0.00 176.83 175.99 3kzi h SER 240 N 0.54 0.49 0.17 3.07 4.64 -1.51 -3.04 113.55 117.91 3kzi h SER 240 Ca 0.58 -0.88 0.01 0.00 -0.47 0.00 0.00 61.79 61.03 3kzi h SER 240 Cb 1.22 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 63.13 3kzi h SER 240 CO -0.33 1.32 -0.22 0.28 -0.87 0.00 0.00 176.83 177.01 3kzi h SER 241 N -0.27 -0.59 -0.75 4.97 0.02 -0.52 -1.20 113.55 115.21 3kzi h SER 241 Ca -0.11 0.06 0.14 0.00 -0.84 0.00 0.00 61.79 61.04 3kzi h SER 241 Cb 1.50 0.21 -0.10 0.00 0.14 0.00 0.00 62.40 64.16 3kzi h SER 241 CO 0.14 -0.31 0.29 0.40 -1.14 0.00 0.00 176.83 176.20 3kzi h ILE 242 N -0.43 0.64 -0.42 3.27 2.04 -1.24 0.95 117.51 122.31 3kzi h ILE 242 Ca 0.01 -0.14 0.03 0.00 1.00 0.00 0.00 64.86 65.76 3kzi h ILE 242 Cb 0.43 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 3kzi h ILE 242 CO -0.08 0.08 0.28 0.00 0.00 0.00 0.00 178.15 178.42 3kzi h ALA 243 N 1.55 1.83 0.04 1.87 0.00 -1.23 0.13 119.26 123.45 3kzi h ALA 243 Ca 0.41 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.22 3kzi h ALA 243 Cb 0.64 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.31 3kzi h ALA 243 CO -0.42 0.12 -0.36 0.00 0.00 0.00 0.00 179.25 178.60 3kzi h ALA 244 N 1.76 -0.00 -0.92 0.00 0.00 0.96 -2.89 119.26 118.16 3kzi h ALA 244 Ca 0.17 -0.54 0.09 0.00 0.00 0.00 0.00 54.91 54.63 3kzi h ALA 244 Cb 0.12 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.87 3kzi h ALA 244 CO -0.04 0.16 0.57 0.28 0.00 0.00 0.00 179.25 180.21 3kzi h VAL 245 N -0.56 0.98 0.00 0.00 2.07 0.13 0.28 116.25 119.15 3kzi h VAL 245 Ca -0.05 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.09 3kzi h VAL 245 Cb 1.19 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3kzi h VAL 245 CO 0.07 0.18 -0.21 2.19 0.02 0.00 0.00 177.57 179.82 3kzi h PHE 246 N 0.97 0.00 -0.06 1.57 -5.15 -0.86 -1.60 116.94 111.82 3kzi h PHE 246 Ca 0.43 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 58.16 3kzi h PHE 246 Cb 0.31 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.48 3kzi h PHE 246 CO -0.03 0.21 -0.09 0.35 -2.00 0.00 0.00 178.31 176.75 3kzi h PHE 247 N 0.00 0.21 -0.57 6.09 3.57 -0.89 -1.14 116.94 124.20 3kzi h PHE 247 Ca -0.00 -0.07 0.08 0.00 3.53 0.00 0.00 57.97 61.51 3kzi h PHE 247 Cb 1.02 -0.04 -0.07 0.00 2.79 0.00 0.00 35.95 39.66 3kzi h PHE 247 CO 0.00 0.67 0.21 0.00 -2.23 0.00 0.00 178.31 176.96 3kzi h ALA 248 N 0.50 0.72 0.22 2.41 0.00 -0.41 -2.63 119.26 120.08 3kzi h ALA 248 Ca 0.01 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3kzi h ALA 248 Cb 0.65 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3kzi h ALA 248 CO 0.02 -0.20 -0.18 0.00 0.00 0.00 0.00 179.25 178.90 3kzi h ALA 249 N 1.39 -0.39 -0.20 0.00 0.00 -1.15 -1.55 119.26 117.36 3kzi h ALA 249 Ca 0.28 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.19 3kzi h ALA 249 Cb 0.33 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3kzi h ALA 249 CO -0.29 -0.74 0.18 0.74 0.00 0.00 0.00 179.25 179.15 3kzi h PHE 250 N -0.41 0.00 0.05 0.00 0.04 -1.04 -1.95 116.94 113.64 3kzi h PHE 250 Ca -0.01 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.64 3kzi h PHE 250 Cb 0.36 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.53 3kzi h PHE 250 CO -0.12 0.00 -0.49 0.28 -0.60 0.00 0.00 178.31 177.38 3kzi h VAL 251 N 0.00 1.55 -0.16 -0.55 2.07 -1.03 -2.95 116.25 115.18 3kzi h VAL 251 Ca 0.10 -2.27 -0.03 0.00 0.82 0.00 0.00 66.70 65.32 3kzi h VAL 251 Cb 0.46 3.01 -0.01 0.00 -1.52 0.00 0.00 31.29 33.23 3kzi h VAL 251 CO -0.00 0.63 -0.02 -0.37 0.02 0.00 0.00 177.57 177.83 3kzi h VAL 252 N -0.46 1.12 -0.17 2.57 -1.51 -0.96 -1.08 116.25 115.76 3kzi h VAL 252 Ca -0.08 -0.47 -0.10 0.00 -1.23 0.00 0.00 66.70 64.82 3kzi h VAL 252 Cb 1.31 1.02 -0.01 0.00 -2.13 0.00 0.00 31.29 31.48 3kzi h VAL 252 CO 0.09 0.16 -0.33 0.00 -1.23 0.00 0.00 177.57 176.26 3kzi h ALA 253 N 1.75 1.13 0.05 5.19 0.00 -1.43 -1.88 119.26 124.08 3kzi h ALA 253 Ca 0.06 -0.37 -0.26 0.00 0.00 0.00 0.00 54.91 54.34 3kzi h ALA 253 Cb 0.19 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 17.91 3kzi h ALA 253 CO 0.01 0.56 -1.06 0.78 0.00 0.00 0.00 179.25 179.53 3kzi h GLY 254 N 1.09 0.70 2.00 0.00 0.00 -1.07 -2.83 103.07 102.96 3kzi h GLY 254 Ca 0.04 -1.33 -0.00 0.00 0.00 0.00 0.00 47.33 46.04 3kzi h GLY 254 CO 0.06 1.17 -0.01 -0.91 0.00 0.00 0.00 176.54 176.85 3kzi h THR 255 N 0.26 0.02 0.17 4.70 1.35 -1.19 -1.34 112.91 116.88 3kzi h THR 255 Ca -0.15 -0.66 -0.31 0.00 -0.55 0.00 0.00 66.41 64.75 3kzi h THR 255 Cb 1.73 1.65 0.03 0.00 -1.73 0.00 0.00 68.15 69.83 3kzi h THR 255 CO 0.21 0.01 -1.32 -0.03 -0.25 0.00 0.00 175.52 174.13 3kzi h MET 256 N 0.00 0.55 0.03 4.72 -1.53 -1.36 -0.97 114.93 116.37 3kzi h MET 256 Ca -0.00 -0.81 -0.22 0.00 -3.44 0.00 0.00 59.70 55.23 3kzi h MET 256 Cb 0.65 0.28 0.02 0.00 -0.55 0.00 0.00 31.60 32.00 3kzi h MET 256 CO 0.00 1.38 -0.88 2.35 0.14 0.00 0.00 176.91 179.89 3kzi h TRP 257 N 0.21 0.83 0.00 1.39 2.91 -1.37 -3.32 115.95 116.60 3kzi h TRP 257 Ca -0.20 -0.47 0.00 0.00 1.13 0.00 0.00 58.89 59.34 3kzi h TRP 257 Cb 2.00 -0.09 0.00 0.00 -0.51 0.00 0.00 29.16 30.57 3kzi h TRP 257 CO 0.11 1.31 -0.71 1.88 -1.03 0.00 0.00 178.44 180.00 3kzi h TYR 258 N 0.12 0.00 0.00 2.65 0.05 -1.38 -3.42 116.97 114.98 3kzi h TYR 258 Ca -0.12 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.66 3kzi h TYR 258 Cb 1.58 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.32 3kzi h TYR 258 CO 0.13 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.65 3kzi n GLY 259 N 1.25 -0.65 3.68 3.88 0.00 -0.37 -5.04 105.19 107.94 3kzi n GLY 259 Ca 0.02 -1.48 -0.01 0.00 0.00 0.00 0.00 46.02 44.55 3kzi n GLY 259 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kzi s SER 260 N -1.65 -0.12 0.00 1.61 1.04 -1.24 -4.87 113.70 108.46 3kzi s SER 260 Ca 0.00 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.17 3kzi s SER 260 Cb 0.00 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.44 3kzi s SER 260 CO 0.00 -0.60 0.97 0.00 0.98 0.00 0.00 173.24 174.59 3kzi n ALA 261 N -0.47 0.98 0.04 5.32 0.00 -0.79 -1.15 120.51 124.43 3kzi n ALA 261 Ca -0.07 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.43 3kzi n ALA 261 Cb 0.62 -0.96 -0.08 0.00 0.00 0.00 0.00 19.45 19.03 3kzi n ALA 261 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3kzi n THR 262 N -1.47 0.71 -3.60 0.00 -1.04 -1.26 -4.45 114.28 103.17 3kzi n THR 262 Ca 0.00 -0.61 -0.27 0.00 -2.04 0.00 0.00 64.05 61.13 3kzi n THR 262 Cb 0.02 -0.39 -0.10 0.00 -1.82 0.00 0.00 70.33 68.04 3kzi n THR 262 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3kzi n THR 263 N -2.65 1.63 -2.25 12.58 -2.24 -0.30 -5.08 114.28 115.97 3kzi n THR 263 Ca -0.06 -4.88 -0.41 0.00 -2.27 0.00 0.00 64.05 56.42 3kzi n THR 263 Cb 0.69 -2.10 -0.03 0.00 -2.10 0.00 0.00 70.33 66.79 3kzi n THR 263 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3kzi s PRO 264 N -1.82 4.43 0.44 -0.78 0.04 -1.25 -4.10 135.00 131.97 3kzi s PRO 264 Ca 0.33 2.03 0.13 0.00 0.04 0.00 0.00 61.00 63.53 3kzi s PRO 264 Cb 0.07 -3.17 1.03 0.00 0.04 0.00 0.00 34.50 32.47 3kzi s PRO 264 CO -0.09 -0.14 2.03 -0.84 0.04 0.00 0.00 177.00 177.99 3kzi h ILE 265 N 3.47 0.96 0.00 0.56 3.07 -1.91 -0.75 117.51 122.91 3kzi h ILE 265 Ca -0.46 -0.13 0.00 0.00 1.55 0.00 0.00 64.86 65.82 3kzi h ILE 265 Cb 1.22 0.56 0.00 0.00 -0.27 0.00 0.00 36.82 38.32 3kzi h ILE 265 CO 0.72 0.07 0.00 -0.62 -1.05 0.00 0.00 178.15 177.27 3kzi n GLU 266 N -4.47 0.39 0.00 0.16 1.02 -1.26 -0.83 120.64 115.65 3kzi n GLU 266 Ca 0.06 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 3kzi n GLU 266 Cb 0.26 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 3kzi n GLU 266 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3kzi n LEU 267 N -1.12 0.00 0.00 -4.62 4.77 -0.41 -4.83 117.00 110.79 3kzi n LEU 267 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 3kzi n LEU 267 Cb 0.08 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3kzi n LEU 267 CO 0.10 0.00 -0.22 0.49 -1.33 0.00 0.00 177.39 176.43 3kzi n PHE 268 N -1.45 0.00 0.00 -1.77 3.72 -0.47 -4.53 117.46 112.95 3kzi n PHE 268 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3kzi n PHE 268 Cb 0.21 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.75 3kzi n PHE 268 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kzi n GLY 269 N 1.65 1.66 3.35 1.37 0.00 -0.01 -2.68 105.19 110.53 3kzi n GLY 269 Ca 0.00 -2.03 -0.30 0.00 0.00 0.00 0.00 46.02 43.69 3kzi n GLY 269 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3kzi s PRO 270 N -2.04 -2.48 0.10 1.61 0.02 -1.26 -4.32 135.00 126.63 3kzi s PRO 270 Ca 0.00 0.27 0.06 0.00 0.02 0.00 0.00 61.00 61.35 3kzi s PRO 270 Cb 0.00 -1.42 -0.04 0.00 0.02 0.00 0.00 34.50 33.06 3kzi s PRO 270 CO 0.00 -4.61 -0.04 0.99 -0.33 0.00 0.00 177.00 173.01 3kzi s THR 271 N -2.34 3.77 0.37 0.99 2.01 -1.26 -4.59 115.64 114.59 3kzi s THR 271 Ca 0.69 -1.11 0.23 0.00 0.31 0.00 0.00 61.69 61.81 3kzi s THR 271 Cb -0.16 -2.79 0.24 0.00 0.01 0.00 0.00 72.50 69.80 3kzi s THR 271 CO 0.59 0.10 1.99 0.08 -0.69 0.00 0.00 174.62 176.70 3kzi h ARG 272 N 3.46 0.00 0.00 4.92 0.11 -1.93 -2.56 114.38 118.38 3kzi h ARG 272 Ca -0.48 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.55 3kzi h ARG 272 Cb 1.17 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.24 3kzi h ARG 272 CO 0.57 0.18 -0.26 1.88 0.10 0.00 0.00 179.97 182.45 3kzi h TYR 273 N 0.00 0.00 -0.22 4.08 0.05 -1.94 -2.40 116.97 116.53 3kzi h TYR 273 Ca -0.00 0.00 -0.18 0.00 0.05 0.00 0.00 58.73 58.60 3kzi h TYR 273 Cb 0.45 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.18 3kzi h TYR 273 CO 0.00 0.26 -0.58 1.96 -1.05 0.00 0.00 178.16 178.74 3kzi h GLN 274 N 0.00 0.71 -0.39 4.88 4.20 -1.86 -2.31 115.11 120.34 3kzi h GLN 274 Ca -0.00 -0.47 -0.15 0.00 0.06 0.00 0.00 58.65 58.09 3kzi h GLN 274 Cb 1.00 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.83 3kzi h GLN 274 CO 0.03 1.09 -0.33 2.35 -0.67 0.00 0.00 178.83 181.31 3kzi h TRP 275 N 0.54 1.07 -0.18 2.96 2.91 -1.59 0.73 115.95 122.38 3kzi h TRP 275 Ca 0.00 -0.31 0.04 0.00 1.13 0.00 0.00 58.89 59.75 3kzi h TRP 275 Cb 1.17 -0.23 -0.03 0.00 -0.51 0.00 0.00 29.16 29.55 3kzi h TRP 275 CO 0.06 1.12 -0.04 -0.44 -1.03 0.00 0.00 178.44 178.11 3kzi h ASP 276 N 0.72 -0.16 -0.34 2.65 3.32 -1.32 -1.77 116.42 119.51 3kzi h ASP 276 Ca 0.07 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3kzi h ASP 276 Cb 0.91 0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.57 3kzi h ASP 276 CO 0.08 -0.06 0.00 -1.54 -1.72 0.00 0.00 179.24 176.01 3kzi n SER 277 N -5.19 2.60 -3.37 6.45 3.41 -0.88 -4.88 113.62 111.76 3kzi n SER 277 Ca -0.03 -2.20 -0.24 0.00 -0.26 0.00 0.00 58.87 56.14 3kzi n SER 277 Cb 0.11 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 3kzi n SER 277 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3kzi n SER 278 N 0.48 -4.12 -0.03 4.04 7.64 -0.66 -4.87 113.62 116.09 3kzi n SER 278 Ca 0.13 -0.42 -0.01 0.00 1.01 0.00 0.00 58.87 59.59 3kzi n SER 278 Cb 0.49 -3.38 -0.01 0.00 -1.01 0.00 0.00 64.21 60.30 3kzi n SER 278 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 3kzi h TYR 279 N -1.12 -0.15 0.00 1.43 3.20 0.21 -1.03 116.97 119.51 3kzi h TYR 279 Ca -0.46 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.41 3kzi h TYR 279 Cb 1.31 0.07 -0.00 0.00 1.54 0.00 0.00 36.73 39.65 3kzi h TYR 279 CO 0.64 -0.03 -0.07 0.74 -1.64 0.00 0.00 178.16 177.80 3kzi h PHE 280 N -0.01 0.00 -0.48 -3.82 0.04 -1.90 -2.68 116.94 108.09 3kzi h PHE 280 Ca 0.01 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.69 3kzi h PHE 280 Cb 0.04 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.17 3kzi h PHE 280 CO -0.86 0.07 -0.08 0.37 -0.60 0.00 0.00 178.31 177.21 3kzi h GLN 281 N 0.00 0.86 -0.26 1.51 4.15 -1.56 -2.22 115.11 117.59 3kzi h GLN 281 Ca -0.00 -0.29 -0.19 0.00 0.77 0.00 0.00 58.65 58.94 3kzi h GLN 281 Cb 0.32 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.93 3kzi h GLN 281 CO 0.01 0.92 -0.59 1.96 -1.93 0.00 0.00 178.83 179.19 3kzi h GLN 282 N 0.78 0.86 -0.44 1.69 4.20 -1.04 -2.35 115.11 118.81 3kzi h GLN 282 Ca 0.13 -0.57 -0.05 0.00 0.06 0.00 0.00 58.65 58.22 3kzi h GLN 282 Cb 0.59 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.43 3kzi h GLN 282 CO 0.04 1.20 0.07 1.49 -0.67 0.00 0.00 178.83 180.96 3kzi h GLU 283 N 0.65 0.67 0.61 1.46 4.57 -1.40 -0.34 114.58 120.80 3kzi h GLU 283 Ca 0.00 -0.14 -0.03 0.00 -1.18 0.00 0.00 59.36 58.02 3kzi h GLU 283 Cb 1.20 -0.10 0.01 0.00 -0.16 0.00 0.00 28.75 29.70 3kzi h GLU 283 CO 0.13 0.64 -0.29 0.82 -1.18 0.00 0.00 179.01 179.12 3kzi h ILE 284 N 0.65 0.00 -0.51 2.32 2.04 -1.35 -2.64 117.51 118.02 3kzi h ILE 284 Ca 0.14 -0.30 0.08 0.00 1.00 0.00 0.00 64.86 65.79 3kzi h ILE 284 Cb 0.29 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.27 3kzi h ILE 284 CO 0.00 0.00 -0.41 0.78 0.00 0.00 0.00 178.15 178.52 3kzi h ASN 285 N -1.12 -1.40 -0.92 1.72 2.35 -1.31 0.23 115.58 115.13 3kzi h ASN 285 Ca -0.08 0.23 0.23 0.00 -0.55 0.00 0.00 56.30 56.13 3kzi h ASN 285 Cb 0.63 0.63 -0.17 0.00 0.05 0.00 0.00 38.32 39.46 3kzi h ASN 285 CO 0.14 -0.34 -0.01 -0.09 -1.65 0.00 0.00 177.43 175.48 3kzi h ARG 286 N -0.25 0.04 -0.22 0.81 2.43 -1.11 0.25 114.38 116.33 3kzi h ARG 286 Ca 0.17 -0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.26 3kzi h ARG 286 Cb 0.57 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.10 3kzi h ARG 286 CO -0.64 0.03 -0.17 0.00 -1.51 0.00 0.00 179.97 177.68 3kzi h ARG 287 N 0.04 0.50 -0.37 0.20 3.08 -0.31 -2.73 114.38 114.79 3kzi h ARG 287 Ca 0.53 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 60.32 3kzi h ARG 287 Cb 1.02 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.06 3kzi h ARG 287 CO -0.86 0.82 0.18 0.28 -1.07 0.00 0.00 179.97 179.32 3kzi h VAL 288 N 0.19 1.17 0.00 2.04 2.07 0.22 -2.12 116.25 119.82 3kzi h VAL 288 Ca 0.04 -0.47 -0.04 0.00 0.82 0.00 0.00 66.70 67.05 3kzi h VAL 288 Cb 0.71 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 3kzi h VAL 288 CO 0.05 0.18 -0.20 1.56 0.02 0.00 0.00 177.57 179.18 3kzi h GLN 289 N 0.46 0.00 -0.05 1.57 1.08 -0.76 -2.19 115.11 115.22 3kzi h GLN 289 Ca 0.13 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.32 3kzi h GLN 289 Cb 0.11 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.54 3kzi h GLN 289 CO -0.02 0.20 -0.01 0.00 -0.95 0.00 0.00 178.83 178.05 3kzi h ALA 290 N 1.80 0.06 -0.84 3.87 0.00 -1.12 -2.31 119.26 120.73 3kzi h ALA 290 Ca -0.00 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.76 3kzi h ALA 290 Cb 0.37 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 3kzi h ALA 290 CO 0.03 -0.25 0.55 0.77 0.00 0.00 0.00 179.25 180.35 3kzi h SER 291 N -0.24 0.89 0.10 0.00 0.02 -0.98 -0.25 113.55 113.09 3kzi h SER 291 Ca 0.01 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 3kzi h SER 291 Cb 0.36 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 3kzi h SER 291 CO 0.00 0.60 -0.21 -0.07 -1.14 0.00 0.00 176.83 176.01 3kzi h LEU 292 N 1.02 0.21 -0.28 5.07 3.38 -1.27 -1.48 115.31 121.95 3kzi h LEU 292 Ca 0.34 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.21 3kzi h LEU 292 Cb 0.06 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3kzi h LEU 292 CO -0.10 0.44 0.02 0.00 0.09 0.00 0.00 178.44 178.88 3kzi h ALA 293 N 1.59 0.38 0.00 1.53 0.00 -0.49 -2.10 119.26 120.16 3kzi h ALA 293 Ca 0.04 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3kzi h ALA 293 Cb 0.50 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3kzi h ALA 293 CO 0.03 0.10 0.00 -1.13 0.00 0.00 0.00 179.25 178.26 3kzi n SER 294 N -4.61 2.09 -3.66 0.00 3.41 -0.78 -4.81 113.62 105.27 3kzi n SER 294 Ca -0.03 -1.53 -0.22 0.00 -0.26 0.00 0.00 58.87 56.83 3kzi n SER 294 Cb 0.24 -0.38 0.04 0.00 -0.26 0.00 0.00 64.21 63.84 3kzi n SER 294 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kzi n GLY 295 N 0.55 -0.45 4.02 5.00 0.00 -0.79 -5.02 105.19 108.50 3kzi n GLY 295 Ca 0.00 0.21 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 3kzi n GLY 295 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kzi s ALA 296 N -3.62 4.68 0.36 4.61 0.00 -0.59 -5.01 121.76 122.19 3kzi s ALA 296 Ca 0.10 -2.04 0.07 0.00 0.00 0.00 0.00 51.96 50.09 3kzi s ALA 296 Cb -0.03 -1.38 -0.02 0.00 0.00 0.00 0.00 23.12 21.70 3kzi s ALA 296 CO 0.81 -0.81 0.37 0.95 0.00 0.00 0.00 175.76 177.09 3kzi s THR 297 N -2.67 3.45 0.23 0.00 -4.23 -1.26 -4.70 115.64 106.45 3kzi s THR 297 Ca 0.59 -1.25 -0.08 0.00 -1.18 0.00 0.00 61.69 59.77 3kzi s THR 297 Cb -0.05 -3.19 0.20 0.00 1.34 0.00 0.00 72.50 70.80 3kzi s THR 297 CO 0.37 -0.12 1.89 0.25 -0.54 0.00 0.00 174.62 176.47 3kzi h LEU 298 N 1.08 0.96 0.19 4.79 5.85 -1.99 0.34 115.31 126.54 3kzi h LEU 298 Ca -0.44 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.27 3kzi h LEU 298 Cb 1.26 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 42.03 3kzi h LEU 298 CO 0.56 0.68 -0.27 -0.33 -0.34 0.00 0.00 178.44 178.74 3kzi h GLU 299 N 1.13 -0.51 -0.44 1.25 5.08 -1.94 -2.25 114.58 116.90 3kzi h GLU 299 Ca 0.33 0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.73 3kzi h GLU 299 Cb -0.08 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3kzi h GLU 299 CO -0.09 -0.34 0.29 0.93 -1.00 0.00 0.00 179.01 178.80 3kzi h GLU 300 N -0.53 0.57 0.27 2.33 5.08 -1.74 -0.82 114.58 119.74 3kzi h GLU 300 Ca 0.01 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3kzi h GLU 300 Cb 0.52 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 3kzi h GLU 300 CO -0.11 0.38 -0.33 0.00 -1.00 0.00 0.00 179.01 177.95 3kzi h ALA 301 N 1.17 -0.98 -0.50 3.43 0.00 -0.21 -2.00 119.26 120.18 3kzi h ALA 301 Ca 0.17 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.99 3kzi h ALA 301 Cb -0.05 0.60 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3kzi h ALA 301 CO -0.05 -1.01 0.33 -1.49 0.00 0.00 0.00 179.25 177.04 3kzi h TRP 302 N -0.61 0.55 0.00 0.00 4.06 -1.41 -0.64 115.95 117.90 3kzi h TRP 302 Ca -0.03 0.01 -0.02 0.00 2.06 0.00 0.00 58.89 60.91 3kzi h TRP 302 Cb 0.55 -0.19 -0.00 0.00 -1.00 0.00 0.00 29.16 28.52 3kzi h TRP 302 CO -0.23 0.33 -0.11 0.77 -3.56 0.00 0.00 178.44 175.64 3kzi h SER 303 N 0.58 0.00 0.89 -3.49 0.02 -0.90 -2.06 113.55 108.59 3kzi h SER 303 Ca 0.20 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.06 3kzi h SER 303 Cb 0.07 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 3kzi h SER 303 CO -0.05 0.11 -0.39 0.00 -1.14 0.00 0.00 176.83 175.36 3kzi h ALA 304 N 1.89 0.97 -2.00 3.77 0.00 -0.35 -3.44 119.26 120.11 3kzi h ALA 304 Ca -0.00 -0.36 -0.58 0.00 0.00 0.00 0.00 54.91 53.97 3kzi h ALA 304 Cb 0.31 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3kzi h ALA 304 CO 0.01 0.49 1.39 0.42 0.00 0.00 0.00 179.25 181.56 3kzi s ILE 305 N -3.56 3.18 0.22 0.00 -1.09 -0.78 -4.94 121.20 114.24 3kzi s ILE 305 Ca 0.00 0.19 -0.32 0.00 -2.23 0.00 0.00 60.65 58.29 3kzi s ILE 305 Cb 0.11 -3.22 -0.12 0.00 -1.58 0.00 0.00 42.46 37.64 3kzi s ILE 305 CO 0.69 -0.13 1.64 -0.81 -1.23 0.00 0.00 174.94 175.11 3kzi n PRO 306 N 8.48 2.57 -0.22 2.79 -0.04 -1.26 -4.87 135.00 142.45 3kzi n PRO 306 Ca 0.26 0.92 -0.01 0.00 -0.04 0.00 0.00 63.50 64.64 3kzi n PRO 306 Cb 0.45 -2.73 0.06 0.00 -0.04 0.00 0.00 33.50 31.24 3kzi n PRO 306 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3kzi h GLU 307 N 5.95 -0.02 -0.85 0.54 5.08 -1.95 -0.23 114.58 123.10 3kzi h GLU 307 Ca -0.44 0.00 0.21 0.00 -1.00 0.00 0.00 59.36 58.13 3kzi h GLU 307 Cb 1.22 0.01 -0.13 0.00 0.50 0.00 0.00 28.75 30.35 3kzi h GLU 307 CO 0.89 -0.02 0.29 -0.22 -1.00 0.00 0.00 179.01 178.95 3kzi h LYS 308 N -0.02 0.30 -0.35 2.33 1.63 -1.91 0.78 116.57 119.33 3kzi h LYS 308 Ca 0.30 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 60.05 3kzi h LYS 308 Cb 0.49 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.03 3kzi h LYS 308 CO -0.67 0.20 0.09 1.25 -3.45 0.00 0.00 179.45 176.87 3kzi h LEU 309 N 0.31 0.52 -0.79 5.20 7.12 -1.39 -2.76 115.31 123.52 3kzi h LEU 309 Ca 0.52 -0.22 -0.03 0.00 0.13 0.00 0.00 57.88 58.28 3kzi h LEU 309 Cb 0.98 -0.14 -0.04 0.00 -0.53 0.00 0.00 40.66 40.94 3kzi h LEU 309 CO -0.56 0.61 0.38 0.00 -0.13 0.00 0.00 178.44 178.74 3kzi h ALA 310 N 0.93 1.02 -0.83 1.25 0.00 -0.78 -2.82 119.26 118.03 3kzi h ALA 310 Ca 0.11 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 54.95 3kzi h ALA 310 Cb 0.29 -0.31 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 3kzi h ALA 310 CO -0.00 0.59 0.54 0.35 0.00 0.00 0.00 179.25 180.73 3kzi h PHE 311 N 1.12 0.88 0.00 0.00 3.57 -0.63 -0.28 116.94 121.61 3kzi h PHE 311 Ca 0.27 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.80 3kzi h PHE 311 Cb 0.12 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.57 3kzi h PHE 311 CO 0.01 0.43 0.00 1.88 -2.23 0.00 0.00 178.31 178.40 3kzi h TYR 312 N 0.84 0.00 -0.72 0.41 -1.99 -1.35 -2.97 116.97 111.18 3kzi h TYR 312 Ca 0.38 0.00 -0.46 0.00 2.00 0.00 0.00 58.73 60.65 3kzi h TYR 312 Cb 0.36 0.00 -0.19 0.00 2.00 0.00 0.00 36.73 38.90 3kzi h TYR 312 CO -0.00 0.00 0.57 -3.47 -0.00 0.00 0.00 178.16 175.26 3kzi n ASP 313 N -2.73 6.87 -3.93 3.88 2.03 -0.11 -4.84 116.55 117.71 3kzi n ASP 313 Ca 0.00 -3.31 -0.27 0.00 0.52 0.00 0.00 54.79 51.73 3kzi n ASP 313 Cb 0.21 -1.05 -0.17 0.00 -0.72 0.00 0.00 41.12 39.39 3kzi n ASP 313 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 3kzi s TYR 314 N -2.46 1.56 -0.04 -0.67 5.04 -1.13 -1.60 117.35 118.06 3kzi s TYR 314 Ca 0.44 -0.78 0.17 0.00 -2.44 0.00 0.00 57.07 54.46 3kzi s TYR 314 Cb 0.34 -1.26 0.93 0.00 0.35 0.00 0.00 41.96 42.32 3kzi s TYR 314 CO -0.04 -0.51 1.47 0.97 -1.34 0.00 0.00 175.55 176.10 3kzi h ILE 315 N 6.14 0.00 0.00 3.14 2.10 -0.22 -1.20 117.51 127.48 3kzi h ILE 315 Ca -0.31 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.63 3kzi h ILE 315 Cb 1.14 0.38 0.00 0.00 -1.09 0.00 0.00 36.82 37.25 3kzi h ILE 315 CO 0.43 0.00 0.00 0.61 -1.08 0.00 0.00 178.15 178.11 3kzi n GLY 316 N -1.28 -0.87 0.00 8.18 0.00 -1.26 -2.05 105.19 107.91 3kzi n GLY 316 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3kzi n GLY 316 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kzi n ASN 317 N -0.56 1.04 -4.65 1.61 3.02 -0.45 -4.92 115.26 110.35 3kzi n ASN 317 Ca 0.02 -1.32 -0.43 0.00 -0.03 0.00 0.00 54.58 52.83 3kzi n ASN 317 Cb 0.01 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.16 3kzi n ASN 317 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3kzi s ASN 318 N -0.32 6.93 0.37 6.41 3.84 -0.87 -4.30 114.94 127.00 3kzi s ASN 318 Ca 0.00 1.33 0.25 0.00 0.21 0.00 0.00 52.86 54.65 3kzi s ASN 318 Cb 0.00 -2.54 1.35 0.00 -0.55 0.00 0.00 41.25 39.51 3kzi s ASN 318 CO 0.00 -0.83 1.77 -0.65 -2.79 0.00 0.00 177.10 174.60 3kzi h PRO 319 N 8.19 0.00 -0.00 0.43 0.11 -1.86 -1.76 132.00 137.10 3kzi h PRO 319 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 3kzi h PRO 319 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3kzi h PRO 319 CO 1.00 0.00 -0.02 0.00 -0.21 0.00 0.00 178.00 178.77 3kzi n ALA 320 N -1.83 2.54 -2.85 -0.75 0.00 -1.26 -4.66 120.51 111.70 3kzi n ALA 320 Ca -0.01 -0.16 -0.28 0.00 0.00 0.00 0.00 53.44 52.98 3kzi n ALA 320 Cb 0.06 -1.47 -0.03 0.00 0.00 0.00 0.00 19.45 18.01 3kzi n ALA 320 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3kzi s LYS 321 N -2.53 3.48 0.00 0.00 -0.14 -0.66 -4.88 119.74 115.00 3kzi s LYS 321 Ca 0.29 -0.43 0.00 0.00 -1.36 0.00 0.00 55.97 54.47 3kzi s LYS 321 Cb 0.20 -2.92 0.00 0.00 -1.68 0.00 0.00 37.83 33.43 3kzi s LYS 321 CO 0.46 0.49 0.00 0.41 -0.76 0.00 0.00 175.35 175.95 3kzi n GLY 322 N -0.40 0.72 3.42 -3.33 0.00 -1.25 -3.75 105.19 100.59 3kzi n GLY 322 Ca -0.05 -2.14 -0.10 0.00 0.00 0.00 0.00 46.02 43.73 3kzi n GLY 322 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kzi s GLY 323 N 0.00 -0.00 0.28 -0.02 0.00 -1.26 -4.96 107.32 101.35 3kzi s GLY 323 Ca 0.00 -0.34 0.04 0.00 0.00 0.00 0.00 44.72 44.42 3kzi s GLY 323 CO 0.00 -0.42 1.69 -2.00 0.00 0.00 0.00 173.10 172.37 3kzi h LEU 324 N 2.33 0.39 -3.14 0.66 5.85 -2.00 -3.10 115.31 116.31 3kzi h LEU 324 Ca -0.31 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.26 3kzi h LEU 324 Cb 1.25 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.17 3kzi h LEU 324 CO 0.43 0.72 0.00 0.49 -0.34 0.00 0.00 178.44 179.74 3kzi n PHE 325 N -4.06 0.74 -2.97 1.25 3.72 -1.26 -4.74 117.46 110.14 3kzi n PHE 325 Ca -0.01 -0.78 -0.44 0.00 -0.05 0.00 0.00 57.45 56.17 3kzi n PHE 325 Cb 0.46 -0.22 0.00 0.00 -0.94 0.00 0.00 39.48 38.78 3kzi n PHE 325 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3kzi n ARG 326 N -0.30 3.45 -0.99 -1.08 1.74 -1.17 -5.00 116.66 113.31 3kzi n ARG 326 Ca 0.18 -3.95 -0.29 0.00 -0.77 0.00 0.00 57.85 53.02 3kzi n ARG 326 Cb 0.74 -2.93 0.20 0.00 -1.02 0.00 0.00 32.46 29.45 3kzi n ARG 326 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3kzi s THR 327 N 0.84 2.07 0.00 0.55 -4.23 -1.26 -4.71 115.64 108.91 3kzi s THR 327 Ca 0.40 0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.94 3kzi s THR 327 Cb -0.03 -2.39 0.00 0.00 1.34 0.00 0.00 72.50 71.42 3kzi s THR 327 CO -0.01 -0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.65 3kzi n GLY 328 N -0.54 -2.27 3.65 3.99 0.00 -1.26 -4.92 105.19 103.84 3kzi n GLY 328 Ca 0.05 -1.56 -0.29 0.00 0.00 0.00 0.00 46.02 44.22 3kzi n GLY 328 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kzi s PRO 329 N -0.44 0.07 0.47 1.61 0.04 -1.26 -4.83 135.00 130.65 3kzi s PRO 329 Ca 0.00 0.44 0.31 0.00 0.04 0.00 0.00 61.00 61.79 3kzi s PRO 329 Cb 0.00 -1.70 1.24 0.00 0.04 0.00 0.00 34.50 34.08 3kzi s PRO 329 CO 0.00 -2.96 1.91 0.52 0.04 0.00 0.00 177.00 176.51 3kzi h MET 330 N -2.05 0.00 0.00 4.56 2.86 -1.46 -3.06 114.93 115.78 3kzi h MET 330 Ca -0.55 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.09 3kzi h MET 330 Cb 1.33 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.99 3kzi h MET 330 CO 0.55 0.00 -0.02 -0.91 1.06 0.00 0.00 176.91 177.59 3kzi h ASN 331 N 0.00 0.00 0.74 1.22 2.35 -1.79 -2.11 115.58 115.99 3kzi h ASN 331 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3kzi h ASN 331 Cb 0.49 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.86 3kzi h ASN 331 CO 0.00 0.02 0.00 1.17 -1.65 0.00 0.00 177.43 176.97 3kzi n LYS 332 N -3.12 0.09 0.00 0.81 3.00 -1.16 -2.63 118.16 115.15 3kzi n LYS 332 Ca 0.01 0.07 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 3kzi n LYS 332 Cb 0.34 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.87 3kzi n LYS 332 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3kzi n GLY 333 N 0.97 1.21 0.07 3.14 0.00 -0.79 -2.04 105.19 107.75 3kzi n GLY 333 Ca 0.07 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.20 3kzi n GLY 333 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kzi n ASP 334 N 0.00 0.38 0.00 1.61 5.68 -1.24 0.07 116.55 123.05 3kzi n ASP 334 Ca 0.00 0.58 0.00 0.00 -0.50 0.00 0.00 54.79 54.87 3kzi n ASP 334 Cb 0.00 -0.67 0.00 0.00 -1.14 0.00 0.00 41.12 39.31 3kzi n ASP 334 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kzi n GLY 335 N 0.31 1.89 3.65 6.12 0.00 -1.08 -4.75 105.19 111.32 3kzi n GLY 335 Ca 0.04 -1.99 -0.43 0.00 0.00 0.00 0.00 46.02 43.64 3kzi n GLY 335 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kzi s ILE 336 N -2.36 3.71 0.13 -0.61 1.01 -0.98 -4.70 121.20 117.41 3kzi s ILE 336 Ca 0.00 0.84 -0.31 0.00 0.00 0.00 0.00 60.65 61.18 3kzi s ILE 336 Cb 0.00 -3.62 -0.10 0.00 0.01 0.00 0.00 42.46 38.75 3kzi s ILE 336 CO 0.00 -0.16 1.66 0.00 0.00 0.00 0.00 174.94 176.45 3kzi s ALA 337 N 4.45 3.77 -0.20 9.38 0.00 -1.26 -0.53 121.76 137.36 3kzi s ALA 337 Ca 0.70 1.36 -0.04 0.00 0.00 0.00 0.00 51.96 53.98 3kzi s ALA 337 Cb -0.29 -3.68 -0.11 0.00 0.00 0.00 0.00 23.12 19.04 3kzi s ALA 337 CO 0.27 -0.98 -0.22 1.04 0.00 0.00 0.00 175.76 175.87 3kzi n GLN 338 N 4.79 0.47 -3.54 0.00 1.13 0.27 -4.66 117.38 115.84 3kzi n GLN 338 Ca 0.15 0.15 -0.08 0.00 -1.94 0.00 0.00 57.00 55.29 3kzi n GLN 338 Cb 0.39 -1.32 -0.02 0.00 0.11 0.00 0.00 30.24 29.40 3kzi n GLN 338 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3kzi s ALA 339 N -2.39 -1.77 -0.39 -1.58 0.00 -1.08 -4.98 121.76 109.56 3kzi s ALA 339 Ca -0.28 0.81 -0.23 0.00 0.00 0.00 0.00 51.96 52.26 3kzi s ALA 339 Cb 0.09 0.50 0.01 0.00 0.00 0.00 0.00 23.12 23.72 3kzi s ALA 339 CO 0.41 -0.76 0.77 -0.46 0.00 0.00 0.00 175.76 175.72 3kzi s TRP 340 N -3.21 3.07 0.57 0.00 -0.00 -1.26 -0.09 118.94 118.02 3kzi s TRP 340 Ca 0.06 0.39 0.25 0.00 -0.00 0.00 0.00 56.10 56.80 3kzi s TRP 340 Cb -0.01 -3.46 1.62 0.00 -0.00 0.00 0.00 33.47 31.62 3kzi s TRP 340 CO -0.07 -0.81 2.21 0.87 -0.00 0.00 0.00 176.95 179.15 3kzi h LYS 341 N 8.65 0.00 0.00 5.86 1.57 -1.74 -0.89 116.57 130.02 3kzi h LYS 341 Ca -0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 3kzi h LYS 341 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.40 3kzi h LYS 341 CO 0.92 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 180.21 3kzi n GLY 342 N -1.40 2.67 3.72 3.86 0.00 -1.24 -0.56 105.19 112.25 3kzi n GLY 342 Ca -0.03 -2.11 -0.42 0.00 0.00 0.00 0.00 46.02 43.47 3kzi n GLY 342 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3kzi s HIS 343 N -2.21 3.48 -0.23 1.61 2.46 -1.10 -4.51 115.29 114.79 3kzi s HIS 343 Ca 0.00 1.40 -0.10 0.00 0.47 0.00 0.00 55.06 56.83 3kzi s HIS 343 Cb 0.00 -3.38 -0.05 0.00 -0.13 0.00 0.00 32.58 29.03 3kzi s HIS 343 CO 0.00 -1.07 0.13 0.00 -2.47 0.00 0.00 174.74 171.34 3kzi s ALA 344 N 0.68 3.52 -0.19 1.58 0.00 -1.26 -2.09 121.76 124.00 3kzi s ALA 344 Ca 0.56 -0.89 -0.02 0.00 0.00 0.00 0.00 51.96 51.60 3kzi s ALA 344 Cb -0.29 -2.23 -0.01 0.00 0.00 0.00 0.00 23.12 20.59 3kzi s ALA 344 CO 0.31 -0.16 -0.09 0.08 0.00 0.00 0.00 175.76 175.90 3kzi s VAL 345 N 1.00 3.13 -0.11 0.00 1.01 0.12 -4.96 120.40 120.58 3kzi s VAL 345 Ca 0.06 -0.59 -0.05 0.00 0.00 0.00 0.00 61.98 61.40 3kzi s VAL 345 Cb -0.14 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 3kzi s VAL 345 CO 0.04 0.47 0.09 -0.36 0.00 0.00 0.00 175.10 175.34 3kzi s PHE 346 N 1.10 3.43 0.07 5.22 0.08 -1.26 -1.23 117.98 125.39 3kzi s PHE 346 Ca 0.01 0.40 0.01 0.00 0.12 0.00 0.00 56.93 57.46 3kzi s PHE 346 Cb -0.15 -1.89 -0.04 0.00 -0.57 0.00 0.00 43.02 40.37 3kzi s PHE 346 CO -0.02 0.62 -0.05 1.03 -0.10 0.00 0.00 175.22 176.70 3kzi s ARG 347 N -0.91 0.70 0.24 0.44 0.52 -0.71 0.37 118.95 119.60 3kzi s ARG 347 Ca 0.14 -1.22 0.11 0.00 -0.52 0.00 0.00 55.73 54.24 3kzi s ARG 347 Cb -0.12 -0.02 -0.05 0.00 0.52 0.00 0.00 34.95 35.29 3kzi s ARG 347 CO 0.03 -0.06 -0.17 0.54 0.02 0.00 0.00 175.30 175.66 3kzi s ASN 348 N -2.84 3.76 0.03 0.23 4.22 -0.50 -0.16 114.94 119.67 3kzi s ASN 348 Ca 0.07 -0.88 -0.00 0.00 -2.14 0.00 0.00 52.86 49.91 3kzi s ASN 348 Cb 0.05 -0.41 0.06 0.00 1.28 0.00 0.00 41.25 42.23 3kzi s ASN 348 CO -0.07 0.06 0.15 2.29 -2.04 0.00 0.00 177.10 177.50 3kzi n LYS 349 N -0.34 -0.01 0.00 3.55 2.85 -0.75 0.23 118.16 123.68 3kzi n LYS 349 Ca -0.08 0.15 0.07 0.00 -1.05 0.00 0.00 58.31 57.40 3kzi n LYS 349 Cb 0.58 -0.23 0.39 0.00 -0.65 0.00 0.00 35.03 35.13 3kzi n LYS 349 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3kzi n GLU 350 N -4.00 0.37 0.00 -1.58 4.71 -1.26 -4.81 120.64 114.08 3kzi n GLU 350 Ca 0.02 0.04 0.00 0.00 -0.01 0.00 0.00 57.16 57.21 3kzi n GLU 350 Cb 0.06 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 28.99 3kzi n GLU 350 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3kzi n GLY 351 N -0.14 2.82 3.59 0.62 0.00 0.62 -5.00 105.19 107.70 3kzi n GLY 351 Ca 0.09 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.67 3kzi n GLY 351 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kzi n GLU 352 N -2.00 1.39 -3.23 1.61 1.02 -1.23 -4.61 120.64 113.59 3kzi n GLU 352 Ca 0.00 0.49 -0.39 0.00 -0.02 0.00 0.00 57.16 57.24 3kzi n GLU 352 Cb 0.00 -1.87 -0.06 0.00 -0.02 0.00 0.00 31.44 29.48 3kzi n GLU 352 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 3kzi s GLU 353 N -1.51 4.27 0.37 3.49 2.12 -1.26 -1.41 118.70 124.77 3kzi s GLU 353 Ca 0.59 0.50 0.07 0.00 0.36 0.00 0.00 54.97 56.50 3kzi s GLU 353 Cb -0.70 -3.51 -0.01 0.00 0.26 0.00 0.00 34.13 30.17 3kzi s GLU 353 CO 0.60 -0.04 0.46 -0.51 -0.54 0.00 0.00 175.26 175.23 3kzi s LEU 354 N 1.27 3.74 -0.02 2.70 2.01 0.16 -4.48 118.68 124.06 3kzi s LEU 354 Ca 0.27 -0.38 0.01 0.00 0.01 0.00 0.00 54.13 54.04 3kzi s LEU 354 Cb -0.16 -2.55 0.01 0.00 0.01 0.00 0.00 46.19 43.50 3kzi s LEU 354 CO 0.11 -0.55 -0.05 -0.36 1.01 0.00 0.00 176.35 176.51 3kzi s PHE 355 N -2.29 0.61 -0.23 0.29 0.08 0.27 -4.13 117.98 112.59 3kzi s PHE 355 Ca 0.48 -0.13 -0.25 0.00 0.12 0.00 0.00 56.93 57.14 3kzi s PHE 355 Cb -0.08 -0.48 -0.00 0.00 -0.57 0.00 0.00 43.02 41.89 3kzi s PHE 355 CO 0.31 -0.09 0.87 0.08 -0.10 0.00 0.00 175.22 176.29 3kzi s VAL 356 N 0.35 4.82 0.01 -0.44 1.01 -1.26 -1.28 120.40 123.60 3kzi s VAL 356 Ca -0.04 1.66 -0.30 0.00 0.00 0.00 0.00 61.98 63.30 3kzi s VAL 356 Cb -0.08 -4.15 -0.07 0.00 0.00 0.00 0.00 36.38 32.07 3kzi s VAL 356 CO -0.00 -0.07 1.73 -0.60 0.00 0.00 0.00 175.10 176.15 3kzi s ARG 357 N 2.78 4.18 0.80 2.72 6.06 -0.65 -4.85 118.95 129.98 3kzi s ARG 357 Ca 0.37 2.34 -0.11 0.00 -2.50 0.00 0.00 55.73 55.83 3kzi s ARG 357 Cb -0.15 -3.89 0.07 0.00 0.06 0.00 0.00 34.95 31.04 3kzi s ARG 357 CO 0.08 -0.83 1.09 1.03 -2.50 0.00 0.00 175.30 174.16 3kzi s ARG 358 N 3.65 2.04 -0.29 5.12 0.52 -1.26 -4.72 118.95 124.01 3kzi s ARG 358 Ca 0.77 0.84 -0.23 0.00 -0.52 0.00 0.00 55.73 56.59 3kzi s ARG 358 Cb -0.38 -1.90 -0.00 0.00 0.52 0.00 0.00 34.95 33.19 3kzi s ARG 358 CO 0.33 -1.70 0.78 1.41 0.02 0.00 0.00 175.30 176.14 3kzi s MET 359 N -5.03 4.02 0.26 3.54 -2.45 -0.52 -5.04 119.30 114.08 3kzi s MET 359 Ca 0.61 0.64 -0.29 0.00 -1.25 0.00 0.00 55.69 55.40 3kzi s MET 359 Cb -0.16 -3.71 -0.09 0.00 1.25 0.00 0.00 34.83 32.12 3kzi s MET 359 CO 0.55 -0.63 1.17 -2.14 1.05 0.00 0.00 175.02 175.03 3kzi s PRO 360 N 2.89 4.54 0.43 4.11 0.02 -1.26 -4.89 135.00 140.83 3kzi s PRO 360 Ca 0.32 1.91 0.26 0.00 0.02 0.00 0.00 61.00 63.51 3kzi s PRO 360 Cb -0.14 -3.18 1.31 0.00 0.02 0.00 0.00 34.50 32.50 3kzi s PRO 360 CO 0.11 0.04 1.69 0.00 -0.33 0.00 0.00 177.00 178.51 3kzi h ALA 361 N 4.16 2.56 -0.84 -1.55 0.00 -1.96 -1.41 119.26 120.22 3kzi h ALA 361 Ca -0.46 0.09 0.17 0.00 0.00 0.00 0.00 54.91 54.70 3kzi h ALA 361 Cb 1.21 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 19.08 3kzi h ALA 361 CO 0.69 -1.09 0.55 0.74 0.00 0.00 0.00 179.25 180.14 3kzi h PHE 362 N 0.20 0.58 -3.38 0.00 0.04 -1.90 -3.43 116.94 109.05 3kzi h PHE 362 Ca 0.73 0.02 -0.60 0.00 2.80 0.00 0.00 57.97 60.92 3kzi h PHE 362 Cb 2.16 -0.18 -0.09 0.00 2.20 0.00 0.00 35.95 40.03 3kzi h PHE 362 CO -0.00 0.20 0.27 -0.06 -0.60 0.00 0.00 178.31 178.12 3kzi s PHE 363 N -5.48 3.34 0.09 -0.55 0.08 -0.53 -4.97 117.98 109.96 3kzi s PHE 363 Ca -0.08 1.02 -0.16 0.00 0.12 0.00 0.00 56.93 57.82 3kzi s PHE 363 Cb 0.22 -2.92 -0.07 0.00 -0.57 0.00 0.00 43.02 39.68 3kzi s PHE 363 CO 0.78 -0.29 1.47 0.93 -0.10 0.00 0.00 175.22 178.01 3kzi h GLU 364 N 7.61 0.60 -5.60 0.44 4.39 -1.88 -3.44 114.58 116.70 3kzi h GLU 364 Ca -0.28 -0.25 -0.49 0.00 0.34 0.00 0.00 59.36 58.68 3kzi h GLU 364 Cb 1.12 -0.02 -0.25 0.00 -0.10 0.00 0.00 28.75 29.50 3kzi h GLU 364 CO 0.81 0.82 -0.81 -1.54 -1.16 0.00 0.00 179.01 177.14 3kzi s SER 365 N -6.27 1.96 -0.00 1.42 1.04 -1.26 -5.15 113.70 105.44 3kzi s SER 365 Ca -0.13 -0.50 -0.05 0.00 0.48 0.00 0.00 55.95 55.75 3kzi s SER 365 Cb 0.08 -0.13 -0.00 0.00 0.10 0.00 0.00 66.02 66.07 3kzi s SER 365 CO 0.79 0.07 0.10 0.12 0.98 0.00 0.00 173.24 175.29 3kzi s PHE 366 N -0.88 0.05 0.54 5.02 5.36 -1.26 -5.10 117.98 121.70 3kzi s PHE 366 Ca 0.03 -0.11 -0.16 0.00 -0.96 0.00 0.00 56.93 55.73 3kzi s PHE 366 Cb -0.08 -0.06 -0.07 0.00 -0.34 0.00 0.00 43.02 42.47 3kzi s PHE 366 CO 0.02 -0.21 1.00 -1.25 -1.46 0.00 0.00 175.22 173.32 3kzi s PRO 367 N -1.06 3.80 -0.43 10.12 0.04 -1.26 -5.02 135.00 141.18 3kzi s PRO 367 Ca -0.12 0.99 -0.22 0.00 0.04 0.00 0.00 61.00 61.70 3kzi s PRO 367 Cb -0.07 -2.11 0.02 0.00 0.04 0.00 0.00 34.50 32.39 3kzi s PRO 367 CO 0.01 -0.40 0.70 0.08 0.04 0.00 0.00 177.00 177.43 3kzi s VAL 368 N -2.63 4.76 -0.02 -0.36 1.01 -1.26 -4.91 120.40 116.99 3kzi s VAL 368 Ca 0.60 0.29 0.04 0.00 0.00 0.00 0.00 61.98 62.90 3kzi s VAL 368 Cb -0.11 -4.24 -0.00 0.00 0.00 0.00 0.00 36.38 32.02 3kzi s VAL 368 CO 0.34 -0.62 -0.13 -0.63 0.00 0.00 0.00 175.10 174.06 3kzi s ILE 369 N 3.00 1.06 -0.10 2.22 1.01 -1.26 -2.40 121.20 124.73 3kzi s ILE 369 Ca 0.26 -0.54 0.03 0.00 0.00 0.00 0.00 60.65 60.40 3kzi s ILE 369 Cb -0.13 -0.91 0.01 0.00 0.01 0.00 0.00 42.46 41.43 3kzi s ILE 369 CO 0.20 0.31 -0.19 -0.76 0.00 0.00 0.00 174.94 174.50 3kzi s LEU 370 N -0.05 1.93 0.21 2.97 1.43 0.88 -1.64 118.68 124.41 3kzi s LEU 370 Ca 0.00 -0.49 0.05 0.00 -1.03 0.00 0.00 54.13 52.66 3kzi s LEU 370 Cb -0.08 -1.24 -0.05 0.00 0.03 0.00 0.00 46.19 44.85 3kzi s LEU 370 CO 0.00 0.09 -0.07 0.42 0.23 0.00 0.00 176.35 177.02 3kzi s THR 371 N 0.64 1.30 0.00 5.49 -4.23 -0.40 -0.72 115.64 117.72 3kzi s THR 371 Ca -0.13 -2.09 0.00 0.00 -1.18 0.00 0.00 61.69 58.29 3kzi s THR 371 Cb -0.16 -2.16 0.00 0.00 1.34 0.00 0.00 72.50 71.52 3kzi s THR 371 CO 0.03 -0.50 0.00 -0.90 -0.54 0.00 0.00 174.62 172.72 3kzi n ASP 372 N -0.37 0.00 -0.07 3.99 5.68 -0.87 0.96 116.55 125.87 3kzi n ASP 372 Ca -0.07 -0.75 -0.08 0.00 -0.50 0.00 0.00 54.79 53.38 3kzi n ASP 372 Cb 0.62 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.59 3kzi n ASP 372 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 3kzi h LYS 373 N 0.00 0.21 0.00 0.11 1.63 -1.92 -2.05 116.57 114.55 3kzi h LYS 373 Ca 0.00 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 3kzi h LYS 373 Cb 0.00 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.58 3kzi h LYS 373 CO 0.00 0.14 0.00 0.09 -3.45 0.00 0.00 179.45 176.23 3kzi n ASN 374 N -5.02 0.00 -0.02 4.20 3.02 -1.26 -4.83 115.26 111.35 3kzi n ASN 374 Ca -0.01 -0.84 -0.00 0.00 -0.03 0.00 0.00 54.58 53.69 3kzi n ASN 374 Cb 0.08 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.25 3kzi n ASN 374 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kzi n GLY 375 N 0.13 0.46 3.71 7.41 0.00 -0.77 -5.02 105.19 111.11 3kzi n GLY 375 Ca 0.08 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 3kzi n GLY 375 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kzi s VAL 376 N -1.99 4.87 -0.05 1.61 1.01 -1.26 -4.78 120.40 119.81 3kzi s VAL 376 Ca 0.00 2.05 -0.30 0.00 0.00 0.00 0.00 61.98 63.73 3kzi s VAL 376 Cb 0.00 -4.31 -0.06 0.00 0.00 0.00 0.00 36.38 32.01 3kzi s VAL 376 CO 0.00 0.16 1.69 -0.69 0.00 0.00 0.00 175.10 176.26 3kzi s VAL 377 N 1.02 3.53 -0.13 2.92 1.01 -1.26 -2.05 120.40 125.44 3kzi s VAL 377 Ca 0.52 0.64 0.07 0.00 0.00 0.00 0.00 61.98 63.20 3kzi s VAL 377 Cb -0.21 -3.42 -0.13 0.00 0.00 0.00 0.00 36.38 32.63 3kzi s VAL 377 CO 0.28 -0.07 -0.02 0.29 0.00 0.00 0.00 175.10 175.58 3kzi n LYS 378 N 7.21 1.49 -3.72 2.72 4.76 0.10 -4.97 118.16 125.76 3kzi n LYS 378 Ca 0.18 0.03 -0.10 0.00 -2.87 0.00 0.00 58.31 55.54 3kzi n LYS 378 Cb 0.43 -1.29 -0.05 0.00 -1.84 0.00 0.00 35.03 32.27 3kzi n LYS 378 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kzi s ALA 379 N -2.28 -0.72 0.18 7.82 0.00 -0.81 -4.84 121.76 121.11 3kzi s ALA 379 Ca -0.11 -0.26 -0.23 0.00 0.00 0.00 0.00 51.96 51.36 3kzi s ALA 379 Cb 0.04 0.70 0.07 0.00 0.00 0.00 0.00 23.12 23.93 3kzi s ALA 379 CO 0.42 -0.65 0.99 0.16 0.00 0.00 0.00 175.76 176.69 3kzi s ASP 380 N -2.84 -0.08 -0.40 0.00 1.47 -0.57 -0.08 116.67 114.18 3kzi s ASP 380 Ca 0.06 -0.58 -0.07 0.00 1.18 0.00 0.00 52.55 53.14 3kzi s ASP 380 Cb 0.02 0.51 0.08 0.00 -0.34 0.00 0.00 42.92 43.19 3kzi s ASP 380 CO -0.09 -0.99 0.21 -0.63 0.68 0.00 0.00 175.17 174.35 3kzi s ILE 381 N -2.68 3.88 0.58 2.11 1.01 -1.01 -3.27 121.20 121.82 3kzi s ILE 381 Ca 0.17 -1.50 -0.19 0.00 0.00 0.00 0.00 60.65 59.13 3kzi s ILE 381 Cb -0.02 -3.39 -0.04 0.00 0.01 0.00 0.00 42.46 39.02 3kzi s ILE 381 CO 0.04 -0.47 1.22 -2.16 0.00 0.00 0.00 174.94 173.58 3kzi s PRO 382 N 1.35 3.01 -0.01 2.79 0.04 -1.26 -4.74 135.00 136.18 3kzi s PRO 382 Ca 0.03 1.88 -0.01 0.00 0.04 0.00 0.00 61.00 62.94 3kzi s PRO 382 Cb -0.22 -1.98 -0.00 0.00 0.04 0.00 0.00 34.50 32.34 3kzi s PRO 382 CO 0.01 -1.19 -0.01 0.34 0.04 0.00 0.00 177.00 176.18 3kzi n PHE 383 N -1.49 0.05 -3.03 0.56 7.35 -1.26 -4.76 117.46 114.88 3kzi n PHE 383 Ca 0.13 0.02 -0.43 0.00 -0.76 0.00 0.00 57.45 56.42 3kzi n PHE 383 Cb 0.49 -0.27 -0.06 0.00 0.35 0.00 0.00 39.48 39.99 3kzi n PHE 383 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 3kzi s ARG 384 N -1.07 3.49 0.47 -4.13 0.52 -1.26 -4.91 118.95 112.06 3kzi s ARG 384 Ca -0.01 -0.07 0.27 0.00 -0.52 0.00 0.00 55.73 55.40 3kzi s ARG 384 Cb 0.00 -3.89 0.84 0.00 0.52 0.00 0.00 34.95 32.42 3kzi s ARG 384 CO 0.01 -0.97 1.79 0.00 0.02 0.00 0.00 175.30 176.15 3kzi h ARG 385 N 8.77 0.00 -0.72 3.54 -0.00 -2.00 -3.35 114.38 120.62 3kzi h ARG 385 Ca -0.25 0.00 0.26 0.00 -0.50 0.00 0.00 59.98 59.49 3kzi h ARG 385 Cb 1.09 0.00 -0.13 0.00 0.00 0.00 0.00 29.97 30.93 3kzi h ARG 385 CO 0.91 0.09 0.23 0.00 0.00 0.00 0.00 179.97 181.20 3kzi n ALA 386 N -2.13 0.58 -2.61 0.04 0.00 -1.26 -1.74 120.51 113.39 3kzi n ALA 386 Ca 0.02 0.75 -0.03 0.00 0.00 0.00 0.00 53.44 54.18 3kzi n ALA 386 Cb 0.44 -0.66 0.05 0.00 0.00 0.00 0.00 19.45 19.27 3kzi n ALA 386 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3kzi n GLU 387 N -4.78 1.71 -2.21 0.00 1.02 -1.26 -5.09 120.64 110.03 3kzi n GLU 387 Ca 0.23 -3.34 -0.42 0.00 -0.02 0.00 0.00 57.16 53.61 3kzi n GLU 387 Cb 0.77 -1.43 -0.03 0.00 -0.02 0.00 0.00 31.44 30.73 3kzi n GLU 387 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3kzi s SER 388 N -3.45 6.87 -0.02 1.62 1.04 -0.71 -4.91 113.70 114.14 3kzi s SER 388 Ca 0.32 2.30 0.18 0.00 0.48 0.00 0.00 55.95 59.23 3kzi s SER 388 Cb 0.35 -2.59 -0.27 0.00 0.10 0.00 0.00 66.02 63.61 3kzi s SER 388 CO -0.05 -0.61 0.42 0.29 0.98 0.00 0.00 173.24 174.27 3kzi n LYS 389 N 3.71 0.60 -0.20 4.02 5.02 -1.26 -4.62 118.16 125.43 3kzi n LYS 389 Ca 0.10 -0.15 0.09 0.00 -2.02 0.00 0.00 58.31 56.33 3kzi n LYS 389 Cb 0.43 -1.42 0.16 0.00 -0.02 0.00 0.00 35.03 34.19 3kzi n LYS 389 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3kzi n TYR 390 N -2.07 0.15 -1.67 2.13 4.01 -1.26 -4.90 117.16 113.56 3kzi n TYR 390 Ca -0.03 -1.06 -0.40 0.00 -0.16 0.00 0.00 57.90 56.26 3kzi n TYR 390 Cb 0.45 -0.19 0.02 0.00 -0.31 0.00 0.00 39.34 39.31 3kzi n TYR 390 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3kzi n SER 391 N -1.28 1.92 -0.23 7.72 3.41 -1.26 -1.51 113.62 122.40 3kzi n SER 391 Ca 0.17 1.01 0.28 0.00 -0.26 0.00 0.00 58.87 60.08 3kzi n SER 391 Cb 0.69 -1.45 0.68 0.00 -0.26 0.00 0.00 64.21 63.86 3kzi n SER 391 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 3kzi h PHE 392 N 1.55 0.14 0.32 7.33 -1.00 -1.96 -0.73 116.94 122.60 3kzi h PHE 392 Ca -0.48 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.29 3kzi h PHE 392 Cb 1.32 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 40.84 3kzi h PHE 392 CO 0.44 0.02 -0.16 0.93 -1.61 0.00 0.00 178.31 177.94 3kzi h GLU 393 N 0.10 -0.42 0.00 1.51 3.07 -1.92 -1.70 114.58 115.22 3kzi h GLU 393 Ca 0.47 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.36 3kzi h GLU 393 Cb 1.72 0.10 0.00 0.00 -0.84 0.00 0.00 28.75 29.72 3kzi h GLU 393 CO -0.06 -0.13 0.00 1.96 -1.40 0.00 0.00 179.01 179.38 3kzi h GLN 394 N -0.70 0.00 -0.01 2.33 4.20 -1.48 -2.88 115.11 116.57 3kzi h GLN 394 Ca -0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3kzi h GLN 394 Cb 0.48 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.26 3kzi h GLN 394 CO 0.07 0.00 -0.47 1.04 -0.67 0.00 0.00 178.83 178.80 3kzi n GLN 395 N -2.54 2.08 -2.44 1.46 1.13 -0.87 -4.98 117.38 111.22 3kzi n GLN 395 Ca -0.01 -0.40 -0.18 0.00 -1.94 0.00 0.00 57.00 54.47 3kzi n GLN 395 Cb 0.10 -1.19 -0.00 0.00 0.11 0.00 0.00 30.24 29.25 3kzi n GLN 395 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3kzi n GLY 396 N 1.20 -0.35 3.71 1.08 0.00 -0.67 -1.82 105.19 108.34 3kzi n GLY 396 Ca 0.04 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 3kzi n GLY 396 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kzi n VAL 397 N -4.07 2.50 -4.17 1.61 0.31 -1.05 -3.17 118.33 110.29 3kzi n VAL 397 Ca -0.19 -0.50 -0.10 0.00 -0.01 0.00 0.00 64.34 63.54 3kzi n VAL 397 Cb 0.65 -1.59 -0.10 0.00 -0.91 0.00 0.00 33.84 31.89 3kzi n VAL 397 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3kzi s THR 398 N -1.19 0.18 -0.01 2.52 -4.23 0.78 -4.83 115.64 108.86 3kzi s THR 398 Ca 0.60 -1.93 0.02 0.00 -1.18 0.00 0.00 61.69 59.20 3kzi s THR 398 Cb -0.51 -2.09 -0.00 0.00 1.34 0.00 0.00 72.50 71.24 3kzi s THR 398 CO 0.59 -0.43 -0.05 0.54 -0.54 0.00 0.00 174.62 174.72 3kzi s VAL 399 N -4.00 0.46 0.06 2.29 0.11 -0.73 -1.73 120.40 116.86 3kzi s VAL 399 Ca 0.25 -0.22 0.06 0.00 -2.93 0.00 0.00 61.98 59.14 3kzi s VAL 399 Cb 0.07 -0.40 -0.03 0.00 -1.53 0.00 0.00 36.38 34.50 3kzi s VAL 399 CO 0.03 0.14 -0.17 -0.44 -3.33 0.00 0.00 175.10 171.33 3kzi s SER 400 N 0.01 2.00 0.17 3.54 0.01 -0.36 -0.48 113.70 118.58 3kzi s SER 400 Ca 0.00 -0.54 0.09 0.00 1.31 0.00 0.00 55.95 56.81 3kzi s SER 400 Cb -0.04 -0.12 -0.04 0.00 0.21 0.00 0.00 66.02 66.03 3kzi s SER 400 CO -0.00 0.04 -0.13 -0.36 0.41 0.00 0.00 173.24 173.20 3kzi s PHE 401 N -0.98 2.57 -0.06 2.43 0.08 -0.74 -0.71 117.98 120.59 3kzi s PHE 401 Ca 0.03 -0.25 -0.02 0.00 0.12 0.00 0.00 56.93 56.81 3kzi s PHE 401 Cb -0.09 -1.28 0.03 0.00 -0.57 0.00 0.00 43.02 41.12 3kzi s PHE 401 CO 0.02 0.49 0.06 0.71 -0.10 0.00 0.00 175.22 176.40 3kzi s TYR 402 N -1.60 0.12 0.15 0.36 2.02 -0.89 -1.73 117.35 115.79 3kzi s TYR 402 Ca 0.23 0.17 0.00 0.00 -0.37 0.00 0.00 57.07 57.10 3kzi s TYR 402 Cb -0.09 -0.52 0.00 0.00 -0.40 0.00 0.00 41.96 40.95 3kzi s TYR 402 CO 0.14 -0.23 0.00 0.41 -1.57 0.00 0.00 175.55 174.29 3kzi n GLY 403 N 5.29 -3.67 0.00 0.71 0.00 -1.26 -2.70 105.19 103.56 3kzi n GLY 403 Ca -0.04 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.05 3kzi n GLY 403 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kzi n GLY 404 N -0.66 -1.85 0.35 -0.02 0.00 -1.26 -3.57 105.19 98.18 3kzi n GLY 404 Ca 0.00 -2.13 -0.10 0.00 0.00 0.00 0.00 46.02 43.78 3kzi n GLY 404 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kzi h GLU 405 N 2.09 -0.38 -0.20 1.61 4.39 -0.96 -2.29 114.58 118.85 3kzi h GLU 405 Ca 0.00 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.73 3kzi h GLU 405 Cb 0.00 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 3kzi h GLU 405 CO 0.00 -0.25 0.00 1.28 -1.16 0.00 0.00 179.01 178.88 3kzi n LEU 406 N -5.42 0.63 -4.59 1.33 4.77 0.28 -4.96 117.00 109.05 3kzi n LEU 406 Ca -0.02 -0.32 -0.49 0.00 -0.03 0.00 0.00 56.01 55.15 3kzi n LEU 406 Cb 0.34 -0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 41.26 3kzi n LEU 406 CO 0.13 0.15 0.79 -3.20 -1.33 0.00 0.00 177.39 173.92 3kzi n ASN 407 N -0.19 1.55 0.00 -1.43 5.15 -0.86 -1.84 115.26 117.64 3kzi n ASN 407 Ca 0.03 1.14 0.00 0.00 -0.60 0.00 0.00 54.58 55.15 3kzi n ASN 407 Cb 0.11 -1.23 0.00 0.00 -0.53 0.00 0.00 39.78 38.13 3kzi n ASN 407 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3kzi n GLY 408 N 2.17 2.25 3.94 8.20 0.00 -0.70 -4.86 105.19 116.19 3kzi n GLY 408 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 3kzi n GLY 408 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kzi s GLN 409 N -0.01 3.50 0.04 1.61 -0.21 -0.77 -4.92 119.66 118.89 3kzi s GLN 409 Ca 0.00 -0.35 0.02 0.00 0.02 0.00 0.00 55.36 55.05 3kzi s GLN 409 Cb 0.00 -2.71 -0.02 0.00 1.00 0.00 0.00 33.01 31.28 3kzi s GLN 409 CO 0.00 0.22 -0.08 0.99 -2.12 0.00 0.00 175.29 174.30 3kzi s THR 410 N -2.20 0.54 -0.03 -0.19 2.01 -1.26 -1.78 115.64 112.71 3kzi s THR 410 Ca 0.39 -0.99 0.03 0.00 0.31 0.00 0.00 61.69 61.43 3kzi s THR 410 Cb -0.10 -0.59 0.01 0.00 0.01 0.00 0.00 72.50 71.83 3kzi s THR 410 CO 0.34 -0.33 -0.10 -0.36 -0.69 0.00 0.00 174.62 173.48 3kzi s PHE 411 N -1.25 1.06 0.00 4.92 0.08 0.37 -5.00 117.98 118.16 3kzi s PHE 411 Ca -0.09 -0.29 0.00 0.00 0.12 0.00 0.00 56.93 56.68 3kzi s PHE 411 Cb -0.09 -0.76 0.00 0.00 -0.57 0.00 0.00 43.02 41.60 3kzi s PHE 411 CO 0.00 -0.13 0.06 0.25 -0.10 0.00 0.00 175.22 175.31 3kzi n THR 412 N 3.39 0.00 -2.55 0.64 -2.24 -1.26 -1.76 114.28 110.50 3kzi n THR 412 Ca -0.19 -0.36 -0.43 0.00 -2.27 0.00 0.00 64.05 60.80 3kzi n THR 412 Cb 0.54 1.05 -0.02 0.00 -2.10 0.00 0.00 70.33 69.79 3kzi n THR 412 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3kzi s ASP 413 N -0.60 6.49 0.00 3.42 -4.77 -1.26 -4.90 116.67 115.05 3kzi s ASP 413 Ca 0.00 0.37 0.00 0.00 -3.30 0.00 0.00 52.55 49.62 3kzi s ASP 413 Cb 0.00 -2.55 0.00 0.00 -1.09 0.00 0.00 42.92 39.28 3kzi s ASP 413 CO 0.00 -1.39 0.00 -2.65 0.70 0.00 0.00 175.17 171.83 3kzi n PRO 414 N 8.15 0.00 -0.23 2.11 -0.02 -1.26 -0.13 135.00 143.63 3kzi n PRO 414 Ca 0.11 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.56 3kzi n PRO 414 Cb 0.49 0.00 0.03 0.00 -0.02 0.00 0.00 33.50 34.00 3kzi n PRO 414 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3kzi h PRO 415 N 0.00 -0.10 -0.75 0.52 0.11 -1.99 0.29 132.00 130.09 3kzi h PRO 415 Ca 0.00 0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.06 3kzi h PRO 415 Cb 0.00 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.10 3kzi h PRO 415 CO 0.00 -0.06 0.26 1.15 -0.21 0.00 0.00 178.00 179.14 3kzi h THR 416 N -0.10 1.26 -0.03 -1.15 2.02 -0.93 0.84 112.91 114.82 3kzi h THR 416 Ca 0.28 -0.86 -0.00 0.00 0.77 0.00 0.00 66.41 66.60 3kzi h THR 416 Cb 0.54 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 67.36 3kzi h THR 416 CO -0.71 0.34 0.01 0.58 0.37 0.00 0.00 175.52 176.11 3kzi h VAL 417 N 1.10 1.08 -0.59 3.16 2.07 -0.93 -2.58 116.25 119.56 3kzi h VAL 417 Ca 0.24 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 3kzi h VAL 417 Cb 0.26 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 3kzi h VAL 417 CO -0.01 0.06 0.28 0.11 0.02 0.00 0.00 177.57 178.03 3kzi h LYS 418 N -0.05 0.84 0.14 1.57 1.57 -0.24 0.03 116.57 120.43 3kzi h LYS 418 Ca 0.01 -0.11 0.02 0.00 -1.87 0.00 0.00 60.65 58.70 3kzi h LYS 418 Cb 0.09 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.20 3kzi h LYS 418 CO -0.00 0.65 -0.36 1.03 -0.57 0.00 0.00 179.45 180.20 3kzi h SER 419 N 0.84 -1.05 -0.29 0.86 0.87 -0.54 0.37 113.55 114.60 3kzi h SER 419 Ca 0.21 0.12 -0.06 0.00 -1.23 0.00 0.00 61.79 60.83 3kzi h SER 419 Cb 0.09 0.39 -0.02 0.00 -0.44 0.00 0.00 62.40 62.43 3kzi h SER 419 CO -0.03 -0.45 -0.00 1.88 -0.53 0.00 0.00 176.83 177.70 3kzi h TYR 420 N -0.60 0.66 -0.53 2.24 0.05 -1.08 -1.96 116.97 115.75 3kzi h TYR 420 Ca 0.02 -0.08 -0.02 0.00 0.05 0.00 0.00 58.73 58.71 3kzi h TYR 420 Cb 0.63 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 38.15 3kzi h TYR 420 CO -0.31 0.63 0.27 0.00 -1.05 0.00 0.00 178.16 177.70 3kzi h ALA 421 N 1.41 0.69 -0.08 3.88 0.00 -0.36 0.20 119.26 124.99 3kzi h ALA 421 Ca 0.12 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3kzi h ALA 421 Cb 0.38 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3kzi h ALA 421 CO 0.01 0.24 0.13 -0.09 0.00 0.00 0.00 179.25 179.54 3kzi h ARG 422 N 0.72 0.00 0.06 0.00 9.65 0.47 -2.01 114.38 123.26 3kzi h ARG 422 Ca 0.19 0.00 -0.34 0.00 -1.10 0.00 0.00 59.98 58.72 3kzi h ARG 422 Cb 0.09 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 28.64 3kzi h ARG 422 CO -0.03 0.00 -1.99 1.63 2.80 0.00 0.00 179.97 182.38 3kzi n LYS 423 N -3.54 0.70 -0.17 0.20 4.01 -0.35 -4.17 118.16 114.84 3kzi n LYS 423 Ca -0.01 0.24 0.23 0.00 -0.51 0.00 0.00 58.31 58.26 3kzi n LYS 423 Cb 0.22 -1.70 0.64 0.00 -0.51 0.00 0.00 35.03 33.68 3kzi n LYS 423 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3kzi h ALA 424 N 0.46 2.54 -1.03 7.82 0.00 0.10 -0.98 119.26 128.17 3kzi h ALA 424 Ca -0.41 -0.01 0.28 0.00 0.00 0.00 0.00 54.91 54.77 3kzi h ALA 424 Cb 2.03 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.78 3kzi h ALA 424 CO 0.06 -0.79 0.71 0.82 0.00 0.00 0.00 179.25 180.05 3kzi h ILE 425 N 0.15 0.51 -0.20 0.00 2.04 -1.71 0.11 117.51 118.42 3kzi h ILE 425 Ca 0.41 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 66.20 3kzi h ILE 425 Cb 1.38 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.76 3kzi h ILE 425 CO -0.07 0.04 0.00 0.49 0.00 0.00 0.00 178.15 178.61 3kzi n PHE 426 N -4.41 0.26 -0.42 1.37 3.72 -0.37 -1.43 117.46 116.17 3kzi n PHE 426 Ca 0.23 -0.13 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 3kzi n PHE 426 Cb 0.98 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.52 3kzi n PHE 426 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kzi n GLY 427 N 1.18 -0.04 3.64 1.37 0.00 0.38 0.55 105.19 112.28 3kzi n GLY 427 Ca 0.16 -1.74 -0.48 0.00 0.00 0.00 0.00 46.02 43.96 3kzi n GLY 427 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kzi n GLU 428 N 0.02 1.78 -2.78 1.61 -0.58 -0.63 -4.48 120.64 115.58 3kzi n GLU 428 Ca 0.00 0.64 -0.42 0.00 -0.42 0.00 0.00 57.16 56.96 3kzi n GLU 428 Cb 0.00 -2.36 -0.03 0.00 -0.57 0.00 0.00 31.44 28.47 3kzi n GLU 428 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3kzi s ILE 429 N 0.77 4.86 0.38 -3.67 1.01 -1.26 -4.79 121.20 118.51 3kzi s ILE 429 Ca 0.81 1.89 0.07 0.00 0.00 0.00 0.00 60.65 63.43 3kzi s ILE 429 Cb -0.78 -4.25 -0.07 0.00 0.01 0.00 0.00 42.46 37.37 3kzi s ILE 429 CO 0.41 0.09 -0.02 -0.36 0.00 0.00 0.00 174.94 175.07 3kzi s PHE 430 N 1.56 2.42 -0.35 3.97 0.08 -1.26 -2.16 117.98 122.24 3kzi s PHE 430 Ca 0.46 -0.65 -0.06 0.00 0.12 0.00 0.00 56.93 56.80 3kzi s PHE 430 Cb -0.19 -1.61 0.05 0.00 -0.57 0.00 0.00 43.02 40.70 3kzi s PHE 430 CO 0.20 0.44 0.11 -2.00 -0.10 0.00 0.00 175.22 173.88 3kzi s GLU 431 N -3.70 2.57 0.09 0.44 2.12 0.87 -4.80 118.70 116.30 3kzi s GLU 431 Ca 0.34 -1.24 0.01 0.00 0.36 0.00 0.00 54.97 54.44 3kzi s GLU 431 Cb 0.08 -3.47 -0.04 0.00 0.26 0.00 0.00 34.13 30.96 3kzi s GLU 431 CO 0.17 -0.71 0.24 -0.06 -0.54 0.00 0.00 175.26 174.37 3kzi s PHE 432 N 1.38 3.51 -0.50 5.30 0.08 -1.26 0.93 117.98 127.42 3kzi s PHE 432 Ca -0.01 0.23 -0.13 0.00 0.12 0.00 0.00 56.93 57.13 3kzi s PHE 432 Cb -0.20 -1.74 0.12 0.00 -0.57 0.00 0.00 43.02 40.63 3kzi s PHE 432 CO 0.02 0.56 0.42 0.34 -0.10 0.00 0.00 175.22 176.46 3kzi s ASP 433 N -2.73 5.97 0.20 1.36 2.15 0.31 -4.88 116.67 119.04 3kzi s ASP 433 Ca 0.35 -1.80 0.23 0.00 0.43 0.00 0.00 52.55 51.77 3kzi s ASP 433 Cb -0.12 -2.12 0.18 0.00 -0.30 0.00 0.00 42.92 40.55 3kzi s ASP 433 CO 0.28 -0.77 1.22 0.71 -0.17 0.00 0.00 175.17 176.44 3kzi h THR 434 N 5.99 0.00 0.00 1.71 1.35 -1.86 -2.61 112.91 117.49 3kzi h THR 434 Ca -0.26 -0.80 0.00 0.00 -0.55 0.00 0.00 66.41 64.80 3kzi h THR 434 Cb 1.09 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.90 3kzi h THR 434 CO 0.95 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 175.60 3kzi n GLU 435 N -2.51 0.00 0.00 4.72 -0.58 -1.26 -1.61 120.64 119.40 3kzi n GLU 435 Ca 0.02 0.21 0.00 0.00 -0.42 0.00 0.00 57.16 56.96 3kzi n GLU 435 Cb 0.50 -1.20 0.00 0.00 -0.57 0.00 0.00 31.44 30.17 3kzi n GLU 435 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 3kzi n THR 436 N -1.11 0.00 1.90 2.62 -1.04 -1.26 0.20 114.28 115.59 3kzi n THR 436 Ca 0.00 0.09 0.10 0.00 -2.04 0.00 0.00 64.05 62.21 3kzi n THR 436 Cb 0.00 -0.13 0.61 0.00 -1.82 0.00 0.00 70.33 68.99 3kzi n THR 436 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3kzi n LEU 437 N -1.51 0.00 -3.57 -4.42 4.77 -1.26 -4.89 117.00 106.11 3kzi n LEU 437 Ca 0.00 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.77 3kzi n LEU 437 Cb 0.00 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.14 3kzi n LEU 437 CO 0.00 0.00 -0.02 -3.20 -1.33 0.00 0.00 177.39 172.84 3kzi n ASN 438 N -0.84 -3.01 -4.75 -1.43 5.15 0.52 -4.91 115.26 106.00 3kzi n ASN 438 Ca 0.15 -0.80 -0.31 0.00 -0.60 0.00 0.00 54.58 53.02 3kzi n ASN 438 Cb 0.07 -4.32 0.10 0.00 -0.53 0.00 0.00 39.78 35.10 3kzi n ASN 438 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 3kzi s SER 439 N -4.03 4.21 0.00 1.20 0.01 -0.63 -4.98 113.70 109.47 3kzi s SER 439 Ca 0.17 1.93 0.09 0.00 1.31 0.00 0.00 55.95 59.45 3kzi s SER 439 Cb -0.04 -2.54 -0.08 0.00 0.21 0.00 0.00 66.02 63.58 3kzi s SER 439 CO 0.79 -2.24 0.42 -0.90 0.41 0.00 0.00 173.24 171.72 3kzi n ASP 440 N -3.56 0.55 -0.15 2.44 5.68 -0.86 -4.98 116.55 115.67 3kzi n ASP 440 Ca 0.10 -0.78 -0.01 0.00 -0.50 0.00 0.00 54.79 53.60 3kzi n ASP 440 Cb 0.53 0.90 -0.00 0.00 -1.14 0.00 0.00 41.12 41.41 3kzi n ASP 440 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kzi n GLY 441 N 1.14 0.36 3.00 6.12 0.00 0.11 -5.00 105.19 110.93 3kzi n GLY 441 Ca 0.02 -0.89 -0.30 0.00 0.00 0.00 0.00 46.02 44.85 3kzi n GLY 441 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kzi s ILE 442 N -2.07 1.58 0.21 -0.61 1.01 -1.25 -4.77 121.20 115.30 3kzi s ILE 442 Ca 0.00 -0.81 -0.30 0.00 0.00 0.00 0.00 60.65 59.54 3kzi s ILE 442 Cb 0.00 -1.58 -0.16 0.00 0.01 0.00 0.00 42.46 40.73 3kzi s ILE 442 CO 0.00 0.30 0.87 0.49 0.00 0.00 0.00 174.94 176.60 3kzi n PHE 443 N 4.74 0.59 -4.31 3.97 3.72 -1.26 -4.30 117.46 120.60 3kzi n PHE 443 Ca -0.16 0.82 -0.20 0.00 -0.05 0.00 0.00 57.45 57.87 3kzi n PHE 443 Cb 0.48 -2.14 -0.11 0.00 -0.94 0.00 0.00 39.48 36.78 3kzi n PHE 443 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3kzi s ARG 444 N -0.97 1.23 0.47 -1.08 0.52 -1.26 -3.97 118.95 113.89 3kzi s ARG 444 Ca 0.66 -1.43 -0.06 0.00 -0.52 0.00 0.00 55.73 54.39 3kzi s ARG 444 Cb -0.86 -1.16 -0.04 0.00 0.52 0.00 0.00 34.95 33.41 3kzi s ARG 444 CO 0.57 0.22 0.78 -0.08 0.02 0.00 0.00 175.30 176.80 3kzi s THR 445 N -2.38 4.89 0.66 0.02 -1.32 -1.25 -4.71 115.64 111.56 3kzi s THR 445 Ca 0.16 0.26 -0.08 0.00 -1.21 0.00 0.00 61.69 60.82 3kzi s THR 445 Cb -0.04 -3.84 0.02 0.00 -1.51 0.00 0.00 72.50 67.13 3kzi s THR 445 CO 0.06 -0.79 1.00 -0.94 -2.21 0.00 0.00 174.62 171.74 3kzi s SER 446 N -3.94 5.36 0.29 8.08 1.04 -1.26 -4.62 113.70 118.65 3kzi s SER 446 Ca 0.48 0.83 0.03 0.00 0.48 0.00 0.00 55.95 57.76 3kzi s SER 446 Cb -0.10 -1.67 0.64 0.00 0.10 0.00 0.00 66.02 64.99 3kzi s SER 446 CO 0.42 -1.29 1.78 -0.65 0.98 0.00 0.00 173.24 174.48 3kzi h PRO 447 N -0.46 0.73 -0.74 4.02 0.11 -1.77 0.49 132.00 134.37 3kzi h PRO 447 Ca -0.45 -0.04 0.17 0.00 0.11 0.00 0.00 66.00 65.78 3kzi h PRO 447 Cb 1.27 -0.16 -0.12 0.00 0.11 0.00 0.00 31.00 32.10 3kzi h PRO 447 CO 0.62 0.48 0.14 -0.09 -0.21 0.00 0.00 178.00 178.94 3kzi h ARG 448 N 0.75 0.21 -0.14 1.05 2.43 -1.88 -0.99 114.38 115.82 3kzi h ARG 448 Ca 0.53 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.67 3kzi h ARG 448 Cb 0.75 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.25 3kzi h ARG 448 CO -0.36 0.14 0.04 0.78 -1.51 0.00 0.00 179.97 179.06 3kzi h GLY 449 N 0.22 0.23 0.87 2.80 0.00 -0.34 -2.74 103.07 104.11 3kzi h GLY 449 Ca 0.42 -0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.61 3kzi h GLY 449 CO -0.55 0.13 0.02 1.49 0.00 0.00 0.00 176.54 177.62 3kzi h TRP 450 N 0.04 0.06 -0.72 5.60 4.06 -0.53 -1.60 115.95 122.85 3kzi h TRP 450 Ca 0.04 -0.00 0.13 0.00 2.06 0.00 0.00 58.89 61.12 3kzi h TRP 450 Cb 0.23 -0.02 -0.09 0.00 -1.00 0.00 0.00 29.16 28.28 3kzi h TRP 450 CO 0.00 0.18 0.30 0.35 -3.56 0.00 0.00 178.44 175.70 3kzi h PHE 451 N -0.07 0.51 -0.58 0.49 3.57 -1.29 0.84 116.94 120.40 3kzi h PHE 451 Ca 0.01 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 3kzi h PHE 451 Cb 0.14 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 3kzi h PHE 451 CO -0.03 0.10 0.27 1.15 -2.23 0.00 0.00 178.31 177.57 3kzi h THR 452 N 0.46 1.21 0.07 4.41 2.02 -1.18 -1.47 112.91 118.43 3kzi h THR 452 Ca 0.39 -0.61 -0.00 0.00 0.77 0.00 0.00 66.41 66.96 3kzi h THR 452 Cb 0.54 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 3kzi h THR 452 CO -0.37 0.24 -0.03 0.15 0.37 0.00 0.00 175.52 175.89 3kzi h PHE 453 N 0.80 -0.08 -0.50 3.16 3.57 -0.23 -1.99 116.94 121.66 3kzi h PHE 453 Ca 0.20 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.75 3kzi h PHE 453 Cb 0.13 0.03 -0.05 0.00 2.79 0.00 0.00 35.95 38.85 3kzi h PHE 453 CO 0.00 0.20 0.22 0.00 -2.23 0.00 0.00 178.31 176.50 3kzi h ALA 454 N 0.55 0.63 -0.01 2.41 0.00 -0.80 -2.20 119.26 119.83 3kzi h ALA 454 Ca -0.01 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 3kzi h ALA 454 Cb 0.32 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3kzi h ALA 454 CO 0.01 -0.15 -0.71 0.45 0.00 0.00 0.00 179.25 178.85 3kzi h HIS 455 N 0.43 0.11 -0.17 0.00 3.86 -1.28 -1.44 115.15 116.65 3kzi h HIS 455 Ca 0.23 -0.05 -0.09 0.00 -1.16 0.00 0.00 60.37 59.30 3kzi h HIS 455 Cb 0.19 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 3kzi h HIS 455 CO -0.13 0.76 -0.29 0.00 0.86 0.00 0.00 177.93 179.13 3kzi h ALA 456 N 1.23 1.19 0.20 2.45 0.00 -1.15 -1.58 119.26 121.60 3kzi h ALA 456 Ca -0.01 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 3kzi h ALA 456 Cb 1.26 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3kzi h ALA 456 CO 0.10 0.53 -0.10 0.28 0.00 0.00 0.00 179.25 180.06 3kzi h VAL 457 N 0.29 0.00 -0.92 0.00 2.07 -1.18 -2.72 116.25 113.79 3kzi h VAL 457 Ca 0.04 -0.54 0.21 0.00 0.82 0.00 0.00 66.70 67.23 3kzi h VAL 457 Cb 0.66 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.26 3kzi h VAL 457 CO 0.05 0.00 -0.11 -0.26 0.02 0.00 0.00 177.57 177.27 3kzi h PHE 458 N -0.81 -0.27 0.39 1.57 0.04 -1.32 0.18 116.94 116.73 3kzi h PHE 458 Ca -0.03 0.07 -0.00 0.00 2.80 0.00 0.00 57.97 60.81 3kzi h PHE 458 Cb 0.21 0.27 -0.03 0.00 2.20 0.00 0.00 35.95 38.59 3kzi h PHE 458 CO 0.02 -0.38 -0.49 0.00 -0.60 0.00 0.00 178.31 176.85 3kzi h ALA 459 N 1.91 -1.05 -0.22 2.45 0.00 -1.37 0.48 119.26 121.46 3kzi h ALA 459 Ca 0.49 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.31 3kzi h ALA 459 Cb 0.87 0.74 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 3kzi h ALA 459 CO -0.90 -1.14 0.19 1.25 0.00 0.00 0.00 179.25 178.65 3kzi h LEU 460 N -0.91 0.00 0.07 0.00 5.85 -0.69 0.26 115.31 119.89 3kzi h LEU 460 Ca -0.04 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.42 3kzi h LEU 460 Cb 0.82 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.88 3kzi h LEU 460 CO -0.12 0.00 -1.07 -0.07 -0.34 0.00 0.00 178.44 176.84 3kzi h LEU 461 N 0.00 0.82 -1.59 2.25 3.38 0.21 -3.25 115.31 117.13 3kzi h LEU 461 Ca 0.10 -0.80 -0.04 0.00 0.09 0.00 0.00 57.88 57.23 3kzi h LEU 461 Cb 0.48 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3kzi h LEU 461 CO -0.00 1.52 -0.21 -0.26 0.09 0.00 0.00 178.44 179.59 3kzi h PHE 462 N 0.22 0.00 -0.39 1.13 0.04 0.19 -1.88 116.94 116.25 3kzi h PHE 462 Ca -0.15 -0.00 0.08 0.00 2.80 0.00 0.00 57.97 60.69 3kzi h PHE 462 Cb 1.75 -0.00 -0.07 0.00 2.20 0.00 0.00 35.95 39.83 3kzi h PHE 462 CO 0.12 0.21 -0.08 0.35 -0.60 0.00 0.00 178.31 178.31 3kzi h PHE 463 N 0.00 -0.18 -0.61 -0.55 3.57 -1.22 0.14 116.94 118.09 3kzi h PHE 463 Ca -0.00 0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.65 3kzi h PHE 463 Cb 0.36 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.21 3kzi h PHE 463 CO 0.00 -0.16 0.42 0.35 -2.23 0.00 0.00 178.31 176.69 3kzi h PHE 464 N 0.01 0.35 -0.38 0.41 3.57 -1.46 -0.84 116.94 118.61 3kzi h PHE 464 Ca 0.19 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.60 3kzi h PHE 464 Cb 0.29 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 3kzi h PHE 464 CO -0.34 0.15 -0.14 0.78 -2.23 0.00 0.00 178.31 176.53 3kzi h GLY 465 N 0.32 0.83 0.97 2.40 0.00 -0.70 -1.31 103.07 105.58 3kzi h GLY 465 Ca 0.29 -0.72 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 3kzi h GLY 465 CO -0.07 0.66 -0.47 0.84 0.00 0.00 0.00 176.54 177.50 3kzi h HIS 466 N 0.57 -1.22 -0.97 5.60 -0.00 -0.04 0.28 115.15 119.37 3kzi h HIS 466 Ca 0.09 -0.02 0.22 0.00 -0.00 0.00 0.00 60.37 60.66 3kzi h HIS 466 Cb 0.68 0.41 -0.08 0.00 -0.00 0.00 0.00 27.41 28.42 3kzi h HIS 466 CO 0.05 -0.74 0.63 0.82 -0.00 0.00 0.00 177.93 178.69 3kzi h ILE 467 N -1.27 0.63 0.30 6.26 5.03 -1.24 0.26 117.51 127.48 3kzi h ILE 467 Ca -0.13 -0.16 -0.01 0.00 -0.12 0.00 0.00 64.86 64.44 3kzi h ILE 467 Cb 0.98 0.13 0.00 0.00 -3.03 0.00 0.00 36.82 34.91 3kzi h ILE 467 CO 0.19 0.08 -0.14 -0.25 -0.68 0.00 0.00 178.15 177.35 3kzi h TRP 468 N 0.46 -0.37 -0.68 1.37 2.91 -0.67 -2.79 115.95 116.17 3kzi h TRP 468 Ca 0.53 -0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.52 3kzi h TRP 468 Cb 1.25 0.12 -0.03 0.00 -0.51 0.00 0.00 29.16 29.99 3kzi h TRP 468 CO -0.00 -0.13 0.36 0.45 -1.03 0.00 0.00 178.44 178.09 3kzi h HIS 469 N -1.05 0.93 0.59 2.65 3.86 -0.20 -0.69 115.15 121.23 3kzi h HIS 469 Ca -0.04 -0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.12 3kzi h HIS 469 Cb 0.42 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.59 3kzi h HIS 469 CO 0.03 0.66 -0.29 0.78 0.86 0.00 0.00 177.93 179.96 3kzi h GLY 470 N 1.01 -0.84 0.14 2.45 0.00 -0.60 -2.09 103.07 103.13 3kzi h GLY 470 Ca 0.24 0.32 0.08 0.00 0.00 0.00 0.00 47.33 47.97 3kzi h GLY 470 CO -0.04 -0.31 -0.12 0.00 0.00 0.00 0.00 176.54 176.07 3kzi h ALA 471 N -0.39 0.23 0.00 3.60 0.00 -1.29 0.25 119.26 121.66 3kzi h ALA 471 Ca -0.08 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3kzi h ALA 471 Cb 0.62 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3kzi h ALA 471 CO 0.13 -0.48 0.00 -2.13 0.00 0.00 0.00 179.25 176.77 3kzi n ARG 472 N -5.33 0.01 -0.10 0.00 0.63 -0.28 -1.37 116.66 110.21 3kzi n ARG 472 Ca 0.02 0.41 -0.18 0.00 -0.92 0.00 0.00 57.85 57.18 3kzi n ARG 472 Cb 0.24 -1.50 -0.13 0.00 0.45 0.00 0.00 32.46 31.52 3kzi n ARG 472 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 3kzi n THR 473 N -1.42 1.55 0.99 5.15 -1.04 0.80 -3.49 114.28 116.81 3kzi n THR 473 Ca 0.00 -0.60 0.14 0.00 -2.04 0.00 0.00 64.05 61.55 3kzi n THR 473 Cb 0.01 -1.43 0.53 0.00 -1.82 0.00 0.00 70.33 67.62 3kzi n THR 473 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3kzi n LEU 474 N -3.28 0.13 -0.35 -4.42 4.77 -0.75 -3.65 117.00 109.45 3kzi n LEU 474 Ca -0.42 0.39 0.07 0.00 -0.03 0.00 0.00 56.01 56.01 3kzi n LEU 474 Cb 1.01 -0.44 0.11 0.00 -2.33 0.00 0.00 43.42 41.77 3kzi n LEU 474 CO 0.30 0.02 0.43 0.49 -1.33 0.00 0.00 177.39 177.31 3kzi n PHE 475 N -1.52 0.00 -0.27 -1.77 3.72 -0.47 -4.81 117.46 112.34 3kzi n PHE 475 Ca 0.07 -0.82 0.07 0.00 -0.05 0.00 0.00 57.45 56.72 3kzi n PHE 475 Cb 0.34 -0.14 0.21 0.00 -0.94 0.00 0.00 39.48 38.95 3kzi n PHE 475 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 3kzi h ARG 476 N 0.23 0.41 -0.12 -1.08 2.43 -1.63 -1.49 114.38 113.13 3kzi h ARG 476 Ca -0.02 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.17 3kzi h ARG 476 Cb 1.15 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.56 3kzi h ARG 476 CO 0.01 0.27 -0.18 0.38 -1.51 0.00 0.00 179.97 178.94 3kzi h ASP 477 N 0.42 -0.57 0.06 -3.80 2.03 -1.89 -1.11 116.42 111.57 3kzi h ASP 477 Ca 0.45 0.10 0.00 0.00 -0.73 0.00 0.00 57.03 56.85 3kzi h ASP 477 Cb 0.73 0.26 0.00 0.00 -0.83 0.00 0.00 39.33 39.49 3kzi h ASP 477 CO -0.44 -0.23 0.00 1.33 -1.03 0.00 0.00 179.24 178.86 3kzi n VAL 478 N -5.32 0.02 -0.86 4.15 0.24 -0.70 -4.81 118.33 111.04 3kzi n VAL 478 Ca -0.03 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 61.97 3kzi n VAL 478 Cb 0.24 -0.56 0.16 0.00 -1.47 0.00 0.00 33.84 32.20 3kzi n VAL 478 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 3kzi s PHE 479 N -2.07 1.87 0.00 6.34 5.36 -0.42 -2.08 117.98 126.98 3kzi s PHE 479 Ca 0.40 1.62 0.00 0.00 -0.96 0.00 0.00 56.93 57.99 3kzi s PHE 479 Cb 0.19 -3.23 0.00 0.00 -0.34 0.00 0.00 43.02 39.64 3kzi s PHE 479 CO 0.34 -2.66 0.00 0.43 -1.46 0.00 0.00 175.22 171.87 3kzi n SER 480 N -4.12 0.00 0.00 6.13 7.64 -1.26 -4.81 113.62 117.20 3kzi n SER 480 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.98 3kzi n SER 480 Cb 0.53 -0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 3kzi n SER 480 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kzi n GLY 481 N -1.80 0.96 0.00 0.23 0.00 -0.89 -5.15 105.19 98.55 3kzi n GLY 481 Ca 0.00 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.05 3kzi n GLY 481 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3kzi n ILE 482 N 3.25 0.00 -3.61 -0.61 -5.35 -1.26 -4.56 119.36 107.22 3kzi n ILE 482 Ca 0.00 0.00 -0.04 0.00 -0.27 0.00 0.00 62.75 62.44 3kzi n ILE 482 Cb 0.00 -0.03 -0.03 0.00 -1.74 0.00 0.00 39.64 37.84 3kzi n ILE 482 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 3kzi s ASP 483 N 0.72 -0.12 0.00 7.28 -0.00 -1.26 -5.16 116.67 118.13 3kzi s ASP 483 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 52.55 52.59 3kzi s ASP 483 Cb 0.00 0.11 0.00 0.00 -0.00 0.00 0.00 42.92 43.03 3kzi s ASP 483 CO 0.00 -0.17 0.00 -2.65 -0.00 0.00 0.00 175.17 172.35 3kzi n PRO 484 N 0.12 0.00 -0.91 8.23 -0.02 -1.26 -5.03 135.00 136.14 3kzi n PRO 484 Ca 0.00 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.60 3kzi n PRO 484 Cb 0.58 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 34.02 3kzi n PRO 484 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3kzi n GLU 485 N 0.00 -1.93 0.00 -0.52 0.28 -1.26 -5.37 120.64 111.85 3kzi n GLU 485 Ca 0.00 1.39 0.00 0.00 -0.16 0.00 0.00 57.16 58.39 3kzi n GLU 485 Cb 0.00 -2.31 0.00 0.00 1.43 0.00 0.00 31.44 30.56 3kzi n GLU 485 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86