#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kkp n LYS 2 N 0.00 0.00 0.03 0.03 4.81 -1.26 -4.82 118.16 116.95 1kkp n LYS 2 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.33 1kkp n LYS 2 Cb 0.00 -0.58 -0.13 0.00 0.02 0.00 0.00 35.03 34.34 1kkp n LYS 2 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1kkp h TYR 3 N 0.00 0.18 -0.40 5.64 0.05 -2.05 -3.38 116.97 117.01 1kkp h TYR 3 Ca 0.00 -0.13 -0.00 0.00 0.05 0.00 0.00 58.73 58.64 1kkp h TYR 3 Cb 0.85 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.56 1kkp h TYR 3 CO 0.00 1.16 0.23 1.25 -1.05 0.00 0.00 178.16 179.75 1kkp h LEU 4 N 0.03 0.49 -0.97 3.88 5.85 -1.95 -1.14 115.31 121.50 1kkp h LEU 4 Ca -0.19 -0.07 0.12 0.00 0.84 0.00 0.00 57.88 58.57 1kkp h LEU 4 Cb 1.94 -0.12 -0.08 0.00 0.37 0.00 0.00 40.66 42.77 1kkp h LEU 4 CO 0.12 0.41 0.60 -0.65 -0.34 0.00 0.00 178.44 178.58 1kkp h PRO 5 N 0.52 0.92 0.20 5.25 0.11 -1.84 0.79 132.00 137.95 1kkp h PRO 5 Ca 0.14 -0.06 -0.31 0.00 0.11 0.00 0.00 66.00 65.89 1kkp h PRO 5 Cb 0.02 -0.21 0.02 0.00 0.11 0.00 0.00 31.00 30.95 1kkp h PRO 5 CO -0.03 0.61 -1.39 0.37 -0.21 0.00 0.00 178.00 177.36 1kkp h GLN 6 N 0.95 0.42 -0.06 1.05 5.75 -1.68 -3.29 115.11 118.24 1kkp h GLN 6 Ca 0.48 -0.71 -0.22 0.00 -0.15 0.00 0.00 58.65 58.04 1kkp h GLN 6 Cb 0.47 0.26 0.02 0.00 1.07 0.00 0.00 27.48 29.30 1kkp h GLN 6 CO -0.27 1.34 -0.84 0.37 -2.65 0.00 0.00 178.83 176.78 1kkp h GLN 7 N 0.11 0.67 -2.40 1.69 5.75 -0.89 -3.42 115.11 116.63 1kkp h GLN 7 Ca -0.21 -0.65 -0.58 0.00 -0.15 0.00 0.00 58.65 57.07 1kkp h GLN 7 Cb 2.08 0.16 -0.38 0.00 1.07 0.00 0.00 27.48 30.42 1kkp h GLN 7 CO 0.24 1.25 -0.94 0.34 -2.65 0.00 0.00 178.83 177.07 1kkp s ASP 8 N -7.09 1.76 0.26 -0.69 -1.08 0.24 -4.99 116.67 105.08 1kkp s ASP 8 Ca -0.11 -2.82 -0.02 0.00 -0.52 0.00 0.00 52.55 49.07 1kkp s ASP 8 Cb 0.07 -0.39 0.47 0.00 -1.46 0.00 0.00 42.92 41.60 1kkp s ASP 8 CO 0.89 -0.20 1.80 -0.65 0.52 0.00 0.00 175.17 177.53 1kkp h PRO 9 N 5.98 0.75 -0.03 4.34 0.11 -1.74 0.03 132.00 141.44 1kkp h PRO 9 Ca 0.21 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.28 1kkp h PRO 9 Cb 0.93 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.87 1kkp h PRO 9 CO 0.34 0.49 0.01 1.96 -0.21 0.00 0.00 178.00 180.59 1kkp h GLN 10 N 0.77 0.05 -0.63 1.05 4.20 -1.94 0.11 115.11 118.73 1kkp h GLN 10 Ca 0.43 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 59.06 1kkp h GLN 10 Cb 0.48 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 1kkp h GLN 10 CO -0.29 0.22 0.10 0.28 -0.67 0.00 0.00 178.83 178.47 1kkp h VAL 11 N -0.12 1.26 -0.61 -0.54 2.07 -1.87 -2.61 116.25 113.82 1kkp h VAL 11 Ca 0.01 -1.01 -0.03 0.00 0.82 0.00 0.00 66.70 66.49 1kkp h VAL 11 Cb 0.19 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 1kkp h VAL 11 CO -0.00 0.38 0.27 0.15 0.02 0.00 0.00 177.57 178.38 1kkp h PHE 12 N 0.95 0.91 -0.74 1.57 3.57 -0.85 -1.36 116.94 120.98 1kkp h PHE 12 Ca 0.19 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 1kkp h PHE 12 Cb 0.43 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 38.86 1kkp h PHE 12 CO 0.03 0.71 0.44 0.00 -2.23 0.00 0.00 178.31 177.26 1kkp h ALA 13 N 1.11 0.95 -0.48 2.41 0.00 -0.62 -1.20 119.26 121.43 1kkp h ALA 13 Ca 0.21 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1kkp h ALA 13 Cb 0.16 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1kkp h ALA 13 CO -0.02 0.43 0.07 0.00 0.00 0.00 0.00 179.25 179.72 1kkp h ALA 14 N 1.23 0.64 -0.47 0.00 0.00 -1.29 -0.38 119.26 118.99 1kkp h ALA 14 Ca 0.27 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1kkp h ALA 14 Cb -0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1kkp h ALA 14 CO -0.05 0.38 0.31 0.82 0.00 0.00 0.00 179.25 180.71 1kkp h ILE 15 N 0.67 1.13 -0.71 0.00 2.04 -0.96 -1.13 117.51 118.55 1kkp h ILE 15 Ca 0.14 -0.25 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 1kkp h ILE 15 Cb 0.41 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 1kkp h ILE 15 CO 0.01 0.12 0.34 -0.33 0.00 0.00 0.00 178.15 178.30 1kkp h GLU 16 N 0.64 1.01 -0.37 2.37 4.39 -1.03 0.16 114.58 121.74 1kkp h GLU 16 Ca 0.17 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 1kkp h GLU 16 Cb -0.06 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.39 1kkp h GLU 16 CO -0.04 0.78 0.23 1.96 -1.16 0.00 0.00 179.01 180.78 1kkp h GLN 17 N 1.00 0.51 -0.66 2.33 4.20 -0.65 -1.86 115.11 119.98 1kkp h GLN 17 Ca 0.25 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.90 1kkp h GLN 17 Cb 0.10 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 1kkp h GLN 17 CO -0.03 0.38 0.36 1.49 -0.67 0.00 0.00 178.83 180.36 1kkp h GLU 18 N 0.49 0.92 -0.44 1.46 4.57 -0.60 0.47 114.58 121.45 1kkp h GLU 18 Ca 0.13 -0.11 0.01 0.00 -1.18 0.00 0.00 59.36 58.22 1kkp h GLU 18 Cb 0.00 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.39 1kkp h GLU 18 CO -0.03 0.70 0.28 -0.09 -1.18 0.00 0.00 179.01 178.69 1kkp h ARG 19 N 0.90 0.55 -0.24 1.92 2.43 -0.54 -0.23 114.38 119.18 1kkp h ARG 19 Ca 0.23 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.28 1kkp h ARG 19 Cb 0.05 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1kkp h ARG 19 CO -0.04 0.36 -0.25 0.87 -1.51 0.00 0.00 179.97 179.40 1kkp h LYS 20 N 0.56 0.45 -0.20 0.20 1.57 -1.09 -2.86 116.57 115.22 1kkp h LYS 20 Ca 0.17 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1kkp h LYS 20 Cb -0.03 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1kkp h LYS 20 CO -0.06 0.68 0.08 -0.09 -0.57 0.00 0.00 179.45 179.49 1kkp h ARG 21 N 0.40 0.29 -0.72 3.15 2.43 -0.56 -0.64 114.38 118.73 1kkp h ARG 21 Ca 0.06 -0.05 0.12 0.00 -0.81 0.00 0.00 59.98 59.30 1kkp h ARG 21 Cb 0.66 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 30.12 1kkp h ARG 21 CO 0.05 0.34 0.48 1.96 -1.51 0.00 0.00 179.97 181.29 1kkp h GLN 22 N 0.17 0.48 0.07 0.20 4.20 -0.83 -2.07 115.11 117.33 1kkp h GLN 22 Ca 0.07 -0.03 -0.29 0.00 0.06 0.00 0.00 58.65 58.46 1kkp h GLN 22 Cb 0.15 -0.11 0.03 0.00 0.30 0.00 0.00 27.48 27.85 1kkp h GLN 22 CO -0.01 0.32 -1.17 1.25 -0.67 0.00 0.00 178.83 178.55 1kkp h HIS 23 N 0.49 1.03 0.00 2.96 2.76 -1.22 -3.37 115.15 117.81 1kkp h HIS 23 Ca 0.35 -0.61 -0.15 0.00 -2.20 0.00 0.00 60.37 57.76 1kkp h HIS 23 Cb 0.67 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.51 1kkp h HIS 23 CO -0.00 1.45 -0.70 0.00 -1.30 0.00 0.00 177.93 177.38 1kkp h ALA 24 N 0.34 0.73 -2.12 5.26 0.00 -0.57 -3.46 119.26 119.44 1kkp h ALA 24 Ca -0.17 -0.64 -0.46 0.00 0.00 0.00 0.00 54.91 53.64 1kkp h ALA 24 Cb 1.83 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 19.53 1kkp h ALA 24 CO 0.23 0.87 -0.11 0.15 0.00 0.00 0.00 179.25 180.39 1kkp s LYS 25 N -3.22 3.20 -0.48 0.00 -0.14 -0.83 -4.83 119.74 113.44 1kkp s LYS 25 Ca 0.00 -0.43 -0.17 0.00 -1.36 0.00 0.00 55.97 54.02 1kkp s LYS 25 Cb 0.11 -2.58 0.06 0.00 -1.68 0.00 0.00 37.83 33.74 1kkp s LYS 25 CO 0.77 -0.15 0.46 0.42 -0.76 0.00 0.00 175.35 176.09 1kkp s ILE 26 N -2.50 5.12 -0.45 2.17 1.01 -0.06 -4.97 121.20 121.51 1kkp s ILE 26 Ca 0.46 -0.82 -0.24 0.00 0.00 0.00 0.00 60.65 60.05 1kkp s ILE 26 Cb -0.10 -4.16 0.03 0.00 0.01 0.00 0.00 42.46 38.23 1kkp s ILE 26 CO 0.38 -0.62 0.85 -0.70 0.00 0.00 0.00 174.94 174.84 1kkp s GLU 27 N 1.98 3.47 -0.06 2.79 2.56 -1.26 -1.34 118.70 126.83 1kkp s GLU 27 Ca 0.08 0.02 0.09 0.00 0.00 0.00 0.00 54.97 55.16 1kkp s GLU 27 Cb -0.22 -3.93 0.20 0.00 2.00 0.00 0.00 34.13 32.17 1kkp s GLU 27 CO 0.09 -1.17 1.13 1.28 -0.56 0.00 0.00 175.26 176.04 1kkp n LEU 28 N 6.93 2.46 -4.68 2.70 4.77 -0.27 -4.05 117.00 124.85 1kkp n LEU 28 Ca 0.04 -2.46 -0.42 0.00 -0.03 0.00 0.00 56.01 53.14 1kkp n LEU 28 Cb 0.48 -0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 41.32 1kkp n LEU 28 CO 0.61 0.62 1.21 -0.63 -1.33 0.00 0.00 177.39 177.87 1kkp s ILE 29 N -1.80 3.58 0.53 -0.08 1.01 -1.16 -0.68 121.20 122.61 1kkp s ILE 29 Ca 0.18 0.92 0.27 0.00 0.00 0.00 0.00 60.65 62.02 1kkp s ILE 29 Cb 0.14 -3.59 0.32 0.00 0.01 0.00 0.00 42.46 39.34 1kkp s ILE 29 CO 0.04 -0.02 2.18 0.00 0.00 0.00 0.00 174.94 177.14 1kkp h ALA 30 N 8.27 1.53 -0.10 9.38 0.00 -1.82 -2.40 119.26 134.12 1kkp h ALA 30 Ca -0.38 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1kkp h ALA 30 Cb 1.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1kkp h ALA 30 CO 0.92 0.05 0.00 -1.13 0.00 0.00 0.00 179.25 179.10 1kkp n SER 31 N -3.90 1.77 -4.99 0.00 3.41 -1.26 -4.80 113.62 103.84 1kkp n SER 31 Ca -0.03 -1.65 -0.19 0.00 -0.26 0.00 0.00 58.87 56.75 1kkp n SER 31 Cb 0.13 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 1kkp n SER 31 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1kkp s GLU 32 N -1.88 2.97 0.23 4.33 2.02 -0.91 -4.33 118.70 121.14 1kkp s GLU 32 Ca 0.35 -1.04 -0.21 0.00 0.02 0.00 0.00 54.97 54.09 1kkp s GLU 32 Cb 0.19 -2.76 0.07 0.00 0.10 0.00 0.00 34.13 31.74 1kkp s GLU 32 CO 0.30 -0.14 0.97 1.21 0.02 0.00 0.00 175.26 177.62 1kkp s ASN 33 N -4.26 -0.02 -0.19 -0.19 3.84 -1.26 -3.80 114.94 109.06 1kkp s ASN 33 Ca 0.50 -0.77 0.01 0.00 0.21 0.00 0.00 52.86 52.81 1kkp s ASN 33 Cb -0.10 0.59 0.03 0.00 -0.55 0.00 0.00 41.25 41.22 1kkp s ASN 33 CO 0.33 -1.16 -0.17 -0.36 -2.79 0.00 0.00 177.10 172.94 1kkp s PHE 34 N -2.33 2.80 0.62 0.43 0.08 -1.26 -4.97 117.98 113.36 1kkp s PHE 34 Ca 0.19 -1.74 -0.13 0.00 0.12 0.00 0.00 56.93 55.38 1kkp s PHE 34 Cb -0.03 -1.88 -0.03 0.00 -0.57 0.00 0.00 43.02 40.51 1kkp s PHE 34 CO 0.07 -0.81 1.04 0.14 -0.10 0.00 0.00 175.22 175.56 1kkp s VAL 35 N 1.28 4.26 0.89 -0.44 -7.23 -1.26 -5.01 120.40 112.88 1kkp s VAL 35 Ca 0.02 0.86 -0.12 0.00 -1.81 0.00 0.00 61.98 60.93 1kkp s VAL 35 Cb -0.14 -3.58 0.12 0.00 0.56 0.00 0.00 36.38 33.34 1kkp s VAL 35 CO -0.11 -0.84 1.09 -0.94 -0.31 0.00 0.00 175.10 173.99 1kkp s SER 36 N -3.58 3.58 0.26 4.85 1.04 -1.26 -4.91 113.70 113.67 1kkp s SER 36 Ca 0.58 1.45 -0.02 0.00 0.48 0.00 0.00 55.95 58.44 1kkp s SER 36 Cb -0.13 -2.13 0.34 0.00 0.10 0.00 0.00 66.02 64.20 1kkp s SER 36 CO 0.47 -2.57 1.75 0.03 0.98 0.00 0.00 173.24 173.90 1kkp h ARG 37 N -1.50 0.76 -0.85 4.02 3.08 -2.00 -2.66 114.38 115.24 1kkp h ARG 37 Ca -0.49 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 59.33 1kkp h ARG 37 Cb 1.28 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 31.21 1kkp h ARG 37 CO 0.55 0.79 0.50 0.00 -1.07 0.00 0.00 179.97 180.75 1kkp h ALA 38 N 1.26 1.09 -0.45 0.04 0.00 -1.99 -0.93 119.26 118.28 1kkp h ALA 38 Ca 0.13 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1kkp h ALA 38 Cb 0.48 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1kkp h ALA 38 CO 0.02 0.56 0.14 0.28 0.00 0.00 0.00 179.25 180.25 1kkp h VAL 39 N 1.17 1.22 -0.79 0.00 2.07 -1.84 -1.94 116.25 116.16 1kkp h VAL 39 Ca 0.30 -0.75 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 1kkp h VAL 39 Cb -0.03 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 1kkp h VAL 39 CO -0.05 0.27 0.37 0.24 0.02 0.00 0.00 177.57 178.41 1kkp h MET 40 N 0.59 1.14 -0.69 1.57 2.07 -1.28 -2.36 114.93 115.97 1kkp h MET 40 Ca 0.14 -0.18 -0.03 0.00 -2.07 0.00 0.00 59.70 57.57 1kkp h MET 40 Cb 0.27 -0.20 -0.03 0.00 -1.87 0.00 0.00 31.60 29.77 1kkp h MET 40 CO -0.00 0.89 0.30 0.93 1.07 0.00 0.00 176.91 180.10 1kkp h GLU 41 N 1.12 1.00 -0.65 1.72 5.08 -0.98 0.72 114.58 122.58 1kkp h GLU 41 Ca 0.27 -0.15 -0.07 0.00 -1.00 0.00 0.00 59.36 58.41 1kkp h GLU 41 Cb 0.14 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1kkp h GLU 41 CO -0.03 0.79 0.13 0.00 -1.00 0.00 0.00 179.01 178.90 1kkp h ALA 42 N 1.34 1.00 0.00 3.43 0.00 -1.00 -2.36 119.26 121.68 1kkp h ALA 42 Ca 0.24 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1kkp h ALA 42 Cb 0.15 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1kkp h ALA 42 CO -0.03 0.64 0.00 1.96 0.00 0.00 0.00 179.25 181.82 1kkp h GLN 43 N 0.99 0.00 -0.73 0.00 4.20 -0.86 -2.87 115.11 115.84 1kkp h GLN 43 Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 1kkp h GLN 43 Cb 0.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1kkp h GLN 43 CO 0.01 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.58 1kkp n GLY 44 N 0.99 2.46 3.97 3.46 0.00 0.18 -4.81 105.19 111.44 1kkp n GLY 44 Ca 0.04 -0.60 -0.23 0.00 0.00 0.00 0.00 46.02 45.23 1kkp n GLY 44 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1kkp s SER 45 N -0.50 4.71 0.00 1.61 1.04 -1.08 -4.98 113.70 114.49 1kkp s SER 45 Ca 0.35 -0.08 0.19 0.00 0.48 0.00 0.00 55.95 56.89 1kkp s SER 45 Cb 0.27 -0.51 1.11 0.00 0.10 0.00 0.00 66.02 66.99 1kkp s SER 45 CO 0.10 -1.59 1.55 1.33 0.98 0.00 0.00 173.24 175.61 1kkp n VAL 46 N -2.70 0.09 0.27 5.02 0.24 -1.26 -3.16 118.33 116.83 1kkp n VAL 46 Ca 0.11 0.02 0.12 0.00 -2.04 0.00 0.00 64.34 62.56 1kkp n VAL 46 Cb 0.60 -0.72 0.57 0.00 -1.47 0.00 0.00 33.84 32.82 1kkp n VAL 46 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1kkp h LEU 47 N 0.00 0.00 -1.80 1.34 4.07 -1.94 -1.87 115.31 115.12 1kkp h LEU 47 Ca 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.93 1kkp h LEU 47 Cb 0.04 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.77 1kkp h LEU 47 CO 0.00 0.00 -0.15 0.00 -1.08 0.00 0.00 178.44 177.21 1kkp h THR 48 N 0.00 0.68 0.00 0.22 1.03 -1.91 -2.77 112.91 110.17 1kkp h THR 48 Ca 0.00 -0.62 0.00 0.00 -0.01 0.00 0.00 66.41 65.78 1kkp h THR 48 Cb 0.18 1.39 0.00 0.00 -1.07 0.00 0.00 68.15 68.65 1kkp h THR 48 CO 0.00 0.15 0.00 0.59 -0.01 0.00 0.00 175.52 176.25 1kkp n ASN 49 N -3.74 0.15 -4.67 0.00 5.03 -0.70 -4.82 115.26 106.50 1kkp n ASN 49 Ca -0.02 0.53 -0.37 0.00 0.87 0.00 0.00 54.58 55.59 1kkp n ASN 49 Cb 0.26 -0.56 -0.09 0.00 -1.02 0.00 0.00 39.78 38.37 1kkp n ASN 49 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1kkp s LYS 50 N -3.05 4.12 -0.06 3.52 2.47 -1.04 -5.06 119.74 120.63 1kkp s LYS 50 Ca 0.09 -0.09 -0.28 0.00 -1.56 0.00 0.00 55.97 54.12 1kkp s LYS 50 Cb 0.12 -3.53 -0.02 0.00 -1.46 0.00 0.00 37.83 32.94 1kkp s LYS 50 CO 0.38 0.05 0.93 0.71 0.16 0.00 0.00 175.35 177.57 1kkp s TYR 51 N 1.09 3.57 -0.32 4.03 2.02 -1.26 -4.76 117.35 121.72 1kkp s TYR 51 Ca 0.12 1.54 0.18 0.00 -0.37 0.00 0.00 57.07 58.54 1kkp s TYR 51 Cb -0.14 -3.08 0.46 0.00 -0.40 0.00 0.00 41.96 38.80 1kkp s TYR 51 CO 0.05 -0.09 1.09 0.00 -1.57 0.00 0.00 175.55 175.03 1kkp n ALA 52 N 4.40 2.85 -1.69 3.71 0.00 -1.26 -4.83 120.51 123.68 1kkp n ALA 52 Ca 0.06 -2.62 -0.38 0.00 0.00 0.00 0.00 53.44 50.49 1kkp n ALA 52 Cb 0.50 -0.93 0.05 0.00 0.00 0.00 0.00 19.45 19.07 1kkp n ALA 52 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1kkp n GLU 53 N -0.37 1.36 0.00 0.00 1.02 -1.26 -4.62 120.64 116.77 1kkp n GLU 53 Ca 0.05 0.51 0.00 0.00 -0.02 0.00 0.00 57.16 57.70 1kkp n GLU 53 Cb 0.82 -2.41 0.00 0.00 -0.02 0.00 0.00 31.44 29.83 1kkp n GLU 53 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1kkp n GLY 54 N 0.96 -1.85 3.39 0.62 0.00 -1.26 -1.45 105.19 105.60 1kkp n GLY 54 Ca 0.12 -1.99 -0.20 0.00 0.00 0.00 0.00 46.02 43.96 1kkp n GLY 54 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1kkp s TYR 55 N 0.00 1.79 -0.01 1.61 1.51 -1.02 -4.92 117.35 116.31 1kkp s TYR 55 Ca 0.00 -0.85 -0.36 0.00 -1.01 0.00 0.00 57.07 54.85 1kkp s TYR 55 Cb 0.00 -1.06 -0.14 0.00 -0.11 0.00 0.00 41.96 40.64 1kkp s TYR 55 CO 0.00 0.09 1.64 -2.30 -1.11 0.00 0.00 175.55 173.86 1kkp n PRO 56 N -0.54 1.71 -0.73 -1.71 -0.02 -1.26 -0.37 135.00 132.08 1kkp n PRO 56 Ca -0.05 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1kkp n PRO 56 Cb 0.64 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 1kkp n PRO 56 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kkp n GLY 57 N 3.62 1.27 2.71 -1.23 0.00 -1.26 -4.80 105.19 105.50 1kkp n GLY 57 Ca 0.21 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.16 1kkp n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kkp n ARG 58 N -2.00 1.31 -2.70 1.61 5.12 0.50 -5.12 116.66 115.38 1kkp n ARG 58 Ca 0.00 -3.15 -0.25 0.00 -1.93 0.00 0.00 57.85 52.52 1kkp n ARG 58 Cb 0.00 -1.20 0.01 0.00 -1.16 0.00 0.00 32.46 30.12 1kkp n ARG 58 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1kkp s ARG 59 N -2.96 3.14 0.00 5.56 1.81 -1.08 -2.45 118.95 122.98 1kkp s ARG 59 Ca 0.26 -0.13 0.23 0.00 -1.72 0.00 0.00 55.73 54.37 1kkp s ARG 59 Cb 0.42 -2.41 0.53 0.00 -0.45 0.00 0.00 34.95 33.03 1kkp s ARG 59 CO 0.00 -0.40 1.46 0.66 -0.68 0.00 0.00 175.30 176.35 1kkp n TYR 60 N -2.30 0.70 -4.06 -0.53 4.01 -0.53 -4.90 117.16 109.56 1kkp n TYR 60 Ca 0.02 -0.35 -0.13 0.00 -0.16 0.00 0.00 57.90 57.28 1kkp n TYR 60 Cb 0.57 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.47 1kkp n TYR 60 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1kkp s TYR 61 N -1.30 0.45 0.97 -0.72 2.02 -1.26 -4.99 117.35 112.52 1kkp s TYR 61 Ca 0.43 -0.29 -0.15 0.00 -0.37 0.00 0.00 57.07 56.69 1kkp s TYR 61 Cb 0.24 -0.28 0.18 0.00 -0.40 0.00 0.00 41.96 41.70 1kkp s TYR 61 CO 0.32 -0.06 1.19 0.20 -1.57 0.00 0.00 175.55 175.63 1kkp s GLY 62 N -0.84 1.64 -0.76 0.71 0.00 -1.26 -4.31 107.32 102.49 1kkp s GLY 62 Ca -0.05 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 43.85 1kkp s GLY 62 CO -0.00 -0.14 0.00 0.61 0.00 0.00 0.00 173.10 173.57 1kkp n GLY 63 N -2.52 0.87 1.47 0.20 0.00 -1.26 -4.92 105.19 99.03 1kkp n GLY 63 Ca 0.10 -0.71 0.08 0.00 0.00 0.00 0.00 46.02 45.50 1kkp n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kkp h GLU 65 N 3.64 0.98 0.07 0.00 3.07 -1.94 0.57 114.58 120.96 1kkp h GLU 65 Ca 0.00 -0.06 -0.31 0.00 -0.50 0.00 0.00 59.36 58.49 1kkp h GLU 65 Cb 1.35 -0.22 -0.03 0.00 -0.84 0.00 0.00 28.75 29.01 1kkp h GLU 65 CO 0.22 0.65 -1.68 1.88 -1.40 0.00 0.00 179.01 178.68 1kkp h TYR 66 N 1.01 0.26 0.00 4.33 -1.99 -2.01 -3.14 116.97 115.43 1kkp h TYR 66 Ca 0.49 -0.19 -0.02 0.00 2.00 0.00 0.00 58.73 61.01 1kkp h TYR 66 Cb 0.46 -0.01 -0.00 0.00 2.00 0.00 0.00 36.73 39.17 1kkp h TYR 66 CO -0.00 1.32 -0.09 -0.39 -0.00 0.00 0.00 178.16 178.99 1kkp h VAL 67 N 0.04 0.24 -0.56 -2.88 -1.51 -1.83 -2.25 116.25 107.50 1kkp h VAL 67 Ca -0.29 -0.75 -0.10 0.00 -1.23 0.00 0.00 66.70 64.33 1kkp h VAL 67 Cb 2.01 1.61 -0.02 0.00 -2.13 0.00 0.00 31.29 32.75 1kkp h VAL 67 CO 0.11 0.09 -0.03 0.44 -1.23 0.00 0.00 177.57 176.95 1kkp h ASP 68 N 0.00 1.00 -0.31 4.19 3.45 -0.91 -0.48 116.42 123.35 1kkp h ASP 68 Ca -0.00 -0.32 -0.01 0.00 0.43 0.00 0.00 57.03 57.13 1kkp h ASP 68 Cb 0.60 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 39.09 1kkp h ASP 68 CO 0.01 1.08 0.17 0.40 -1.57 0.00 0.00 179.24 179.33 1kkp h ILE 69 N 0.90 1.13 -0.36 0.35 2.04 -1.37 -0.89 117.51 119.31 1kkp h ILE 69 Ca 0.16 -0.35 0.02 0.00 1.00 0.00 0.00 64.86 65.68 1kkp h ILE 69 Cb 0.58 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 1kkp h ILE 69 CO 0.03 0.13 0.21 0.58 0.00 0.00 0.00 178.15 179.11 1kkp h VAL 70 N 0.39 1.03 -0.59 1.67 2.07 -1.24 -0.83 116.25 118.74 1kkp h VAL 70 Ca 0.11 -0.15 -0.08 0.00 0.82 0.00 0.00 66.70 67.40 1kkp h VAL 70 Cb 0.06 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1kkp h VAL 70 CO -0.02 0.08 0.05 -0.08 0.02 0.00 0.00 177.57 177.62 1kkp h GLU 71 N 0.43 0.99 -0.29 1.57 4.81 -0.85 -1.93 114.58 119.31 1kkp h GLU 71 Ca 0.14 -0.27 -0.12 0.00 -0.13 0.00 0.00 59.36 58.98 1kkp h GLU 71 Cb 0.01 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 1kkp h GLU 71 CO -0.07 0.94 -0.32 0.93 -0.73 0.00 0.00 179.01 179.77 1kkp h GLU 72 N 0.92 0.61 -0.27 1.92 4.39 -0.98 0.51 114.58 121.69 1kkp h GLU 72 Ca 0.18 -0.27 0.02 0.00 0.34 0.00 0.00 59.36 59.63 1kkp h GLU 72 Cb 0.47 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 1kkp h GLU 72 CO 0.02 0.85 0.12 -0.07 -1.16 0.00 0.00 179.01 178.77 1kkp h LEU 73 N 0.52 0.17 -0.03 1.33 3.38 -0.92 0.25 115.31 120.01 1kkp h LEU 73 Ca 0.06 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.06 1kkp h LEU 73 Cb 0.80 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1kkp h LEU 73 CO 0.07 0.13 -0.04 0.00 0.09 0.00 0.00 178.44 178.69 1kkp h ALA 74 N 1.14 -0.02 -0.32 1.53 0.00 -0.81 0.18 119.26 120.97 1kkp h ALA 74 Ca 0.11 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1kkp h ALA 74 Cb 0.05 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1kkp h ALA 74 CO -0.09 -0.53 0.17 0.00 0.00 0.00 0.00 179.25 178.81 1kkp h ARG 75 N -0.06 0.45 -0.49 0.00 3.08 -0.64 -0.95 114.38 115.76 1kkp h ARG 75 Ca 0.03 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 59.91 1kkp h ARG 75 Cb 0.10 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 1kkp h ARG 75 CO -0.07 0.38 -0.14 0.93 -1.07 0.00 0.00 179.97 180.00 1kkp h GLU 76 N 0.39 0.94 -0.16 0.04 4.39 -0.40 -1.21 114.58 118.58 1kkp h GLU 76 Ca 0.11 -0.35 -0.12 0.00 0.34 0.00 0.00 59.36 59.34 1kkp h GLU 76 Cb 0.07 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1kkp h GLU 76 CO -0.02 1.01 -0.42 0.00 -1.16 0.00 0.00 179.01 178.43 1kkp h ARG 77 N 0.83 0.36 -0.45 2.33 3.08 -0.88 -1.57 114.38 118.08 1kkp h ARG 77 Ca 0.13 -0.18 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 1kkp h ARG 77 Cb 0.69 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.72 1kkp h ARG 77 CO 0.05 0.72 0.10 0.00 -1.07 0.00 0.00 179.97 179.77 1kkp h ALA 78 N 1.26 0.59 -0.85 0.04 0.00 -0.96 -1.40 119.26 117.94 1kkp h ALA 78 Ca 0.03 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1kkp h ALA 78 Cb 0.87 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1kkp h ALA 78 CO 0.07 0.29 0.41 0.87 0.00 0.00 0.00 179.25 180.89 1kkp h LYS 79 N 0.60 1.23 -0.48 0.00 1.57 -1.00 -1.19 116.57 117.31 1kkp h LYS 79 Ca 0.14 -0.18 -0.13 0.00 -1.87 0.00 0.00 60.65 58.61 1kkp h LYS 79 Cb 0.34 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1kkp h LYS 79 CO 0.00 0.95 -0.21 0.37 -0.57 0.00 0.00 179.45 179.99 1kkp h GLN 80 N 1.22 0.98 -0.46 3.15 4.15 -1.22 0.29 115.11 123.21 1kkp h GLN 80 Ca 0.29 -0.41 -0.05 0.00 0.77 0.00 0.00 58.65 59.25 1kkp h GLN 80 Cb 0.12 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.76 1kkp h GLN 80 CO -0.04 1.09 0.10 1.25 -1.93 0.00 0.00 178.83 179.30 1kkp h LEU 81 N 0.85 0.71 -0.79 -2.39 5.85 -0.72 -3.32 115.31 115.49 1kkp h LEU 81 Ca 0.11 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1kkp h LEU 81 Cb 0.78 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.63 1kkp h LEU 81 CO 0.07 0.76 -0.27 0.49 -0.34 0.00 0.00 178.44 179.15 1kkp n PHE 82 N -4.49 0.00 -2.62 1.25 3.72 -0.50 -4.73 117.46 110.10 1kkp n PHE 82 Ca 0.01 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.26 1kkp n PHE 82 Cb 0.22 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.78 1kkp n PHE 82 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1kkp n GLY 83 N 1.01 -0.15 3.89 1.37 0.00 0.99 -4.81 105.19 107.50 1kkp n GLY 83 Ca 0.05 -0.21 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 1kkp n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kkp s ALA 84 N -2.88 3.47 -0.05 4.61 0.00 -1.08 -4.94 121.76 120.88 1kkp s ALA 84 Ca 0.14 -0.41 0.12 0.00 0.00 0.00 0.00 51.96 51.82 1kkp s ALA 84 Cb -0.06 -2.52 -0.08 0.00 0.00 0.00 0.00 23.12 20.46 1kkp s ALA 84 CO 0.18 0.03 1.23 0.93 0.00 0.00 0.00 175.76 178.12 1kkp h GLU 85 N 1.23 0.00 -3.40 0.00 5.08 -1.90 -3.44 114.58 112.14 1kkp h GLU 85 Ca -0.47 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 57.74 1kkp h GLU 85 Cb 1.19 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.23 1kkp h GLU 85 CO 0.64 0.63 -0.46 -1.58 -1.00 0.00 0.00 179.01 177.24 1kkp s HIS 86 N -2.84 -0.03 0.02 4.33 5.04 -0.52 -4.72 115.29 116.57 1kkp s HIS 86 Ca 0.01 0.01 0.02 0.00 -1.54 0.00 0.00 55.06 53.57 1kkp s HIS 86 Cb 0.09 -0.01 -0.02 0.00 0.04 0.00 0.00 32.58 32.68 1kkp s HIS 86 CO 0.79 -0.28 -0.08 0.00 -2.34 0.00 0.00 174.74 172.83 1kkp s ALA 87 N -1.19 0.60 -0.21 1.58 0.00 -1.26 -1.91 121.76 119.36 1kkp s ALA 87 Ca -0.13 -0.56 0.01 0.00 0.00 0.00 0.00 51.96 51.29 1kkp s ALA 87 Cb -0.06 -0.05 0.04 0.00 0.00 0.00 0.00 23.12 23.05 1kkp s ALA 87 CO 0.02 0.06 -0.12 1.21 0.00 0.00 0.00 175.76 176.93 1kkp s ASN 88 N -0.94 3.63 -0.04 0.00 3.04 -0.07 -4.92 114.94 115.63 1kkp s ASN 88 Ca -0.04 -0.99 0.16 0.00 0.04 0.00 0.00 52.86 52.03 1kkp s ASN 88 Cb -0.07 -1.34 0.52 0.00 -1.54 0.00 0.00 41.25 38.82 1kkp s ASN 88 CO 0.00 -0.14 1.44 1.33 -3.04 0.00 0.00 177.10 176.69 1kkp n VAL 89 N 4.61 1.32 0.18 -5.21 0.24 -1.26 -1.53 118.33 116.68 1kkp n VAL 89 Ca -0.15 -1.13 0.11 0.00 -2.04 0.00 0.00 64.34 61.12 1kkp n VAL 89 Cb 0.46 0.34 0.12 0.00 -1.47 0.00 0.00 33.84 33.28 1kkp n VAL 89 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 1kkp h GLN 90 N 3.11 0.00 -6.39 7.34 4.20 -1.95 -3.46 115.11 117.97 1kkp h GLN 90 Ca 0.00 0.00 -0.63 0.00 0.06 0.00 0.00 58.65 58.08 1kkp h GLN 90 Cb 1.04 0.00 0.06 0.00 0.30 0.00 0.00 27.48 28.88 1kkp h GLN 90 CO 0.08 0.04 0.59 -2.30 -0.67 0.00 0.00 178.83 176.57 1kkp n PRO 91 N -3.01 1.61 0.25 1.46 -0.02 -1.26 -4.73 135.00 129.31 1kkp n PRO 91 Ca 0.03 0.58 0.13 0.00 -2.02 0.00 0.00 63.50 62.22 1kkp n PRO 91 Cb 0.55 -2.27 0.54 0.00 -0.02 0.00 0.00 33.50 32.31 1kkp n PRO 91 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1kkp h HIS 92 N 5.01 0.00 -2.83 6.00 3.86 -1.91 -0.63 115.15 124.65 1kkp h HIS 92 Ca -0.46 0.00 0.05 0.00 -1.16 0.00 0.00 60.37 58.80 1kkp h HIS 92 Cb 1.30 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.75 1kkp h HIS 92 CO 0.60 0.10 0.36 -1.54 0.86 0.00 0.00 177.93 178.32 1kkp s SER 93 N -5.96 -0.04 0.24 2.45 1.04 -1.26 -4.15 113.70 106.02 1kkp s SER 93 Ca 0.01 -0.91 -0.04 0.00 0.48 0.00 0.00 55.95 55.50 1kkp s SER 93 Cb 0.09 0.72 0.28 0.00 0.10 0.00 0.00 66.02 67.21 1kkp s SER 93 CO 0.60 -1.42 1.74 1.23 0.98 0.00 0.00 173.24 176.37 1kkp h GLY 94 N 2.00 0.94 0.98 7.32 0.00 -1.82 -1.38 103.07 111.11 1kkp h GLY 94 Ca -0.29 -0.63 0.01 0.00 0.00 0.00 0.00 47.33 46.42 1kkp h GLY 94 CO 0.36 0.58 0.35 0.00 0.00 0.00 0.00 176.54 177.84 1kkp h ALA 95 N 1.21 0.69 -0.02 3.60 0.00 -1.95 -1.18 119.26 121.61 1kkp h ALA 95 Ca 0.16 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 1kkp h ALA 95 Cb 0.46 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1kkp h ALA 95 CO 0.02 0.11 -0.60 1.96 0.00 0.00 0.00 179.25 180.74 1kkp h GLN 96 N 0.72 0.08 -0.10 0.00 7.50 -1.89 -0.21 115.11 121.21 1kkp h GLN 96 Ca 0.20 -0.06 -0.01 0.00 0.50 0.00 0.00 58.65 59.29 1kkp h GLN 96 Cb -0.07 0.01 -0.00 0.00 0.05 0.00 0.00 27.48 27.47 1kkp h GLN 96 CO -0.05 0.66 0.04 0.00 -1.50 0.00 0.00 178.83 177.98 1kkp h ALA 97 N 1.33 0.14 -0.36 3.87 0.00 -0.89 -1.30 119.26 122.03 1kkp h ALA 97 Ca -0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1kkp h ALA 97 Cb 1.08 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1kkp h ALA 97 CO 0.08 -0.27 0.20 -0.91 0.00 0.00 0.00 179.25 178.36 1kkp h ASN 98 N -0.00 0.44 -0.74 0.00 2.35 -1.13 -2.78 115.58 113.72 1kkp h ASN 98 Ca 0.03 -0.08 0.08 0.00 -0.55 0.00 0.00 56.30 55.78 1kkp h ASN 98 Cb 0.19 -0.11 -0.06 0.00 0.05 0.00 0.00 38.32 38.38 1kkp h ASN 98 CO -0.00 0.39 0.41 -0.03 -1.65 0.00 0.00 177.43 176.55 1kkp h MET 99 N 0.46 0.69 -0.53 0.81 4.05 -0.91 -1.76 114.93 117.75 1kkp h MET 99 Ca 0.13 -0.04 -0.09 0.00 -0.28 0.00 0.00 59.70 59.42 1kkp h MET 99 Cb 0.05 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 30.67 1kkp h MET 99 CO -0.02 0.46 -0.02 0.00 0.23 0.00 0.00 176.91 177.56 1kkp h ALA 100 N 1.40 0.98 -0.34 0.39 0.00 -1.10 0.44 119.26 121.03 1kkp h ALA 100 Ca 0.34 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1kkp h ALA 100 Cb 0.28 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1kkp h ALA 100 CO -0.22 0.62 0.06 0.28 0.00 0.00 0.00 179.25 179.99 1kkp h VAL 101 N 0.83 1.23 -0.41 0.00 2.07 -1.19 -1.00 116.25 117.78 1kkp h VAL 101 Ca 0.15 -0.82 0.01 0.00 0.82 0.00 0.00 66.70 66.87 1kkp h VAL 101 Cb 0.52 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 1kkp h VAL 101 CO 0.03 0.27 0.25 1.88 0.02 0.00 0.00 177.57 180.02 1kkp h TYR 102 N 0.39 0.48 -0.34 1.57 0.05 -1.14 -1.74 116.97 116.24 1kkp h TYR 102 Ca 0.10 0.01 0.05 0.00 0.05 0.00 0.00 58.73 58.94 1kkp h TYR 102 Cb 0.35 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 37.91 1kkp h TYR 102 CO 0.02 0.29 0.23 0.35 -1.05 0.00 0.00 178.16 178.00 1kkp h PHE 103 N 0.52 0.24 -0.03 4.88 3.57 -0.74 -0.52 116.94 124.86 1kkp h PHE 103 Ca 0.16 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 1kkp h PHE 103 Cb -0.01 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.64 1kkp h PHE 103 CO -0.06 0.14 -0.05 1.15 -2.23 0.00 0.00 178.31 177.25 1kkp h THR 104 N 0.25 1.44 -0.00 4.41 2.02 -0.32 -3.39 112.91 117.31 1kkp h THR 104 Ca 0.15 -1.38 0.00 0.00 0.77 0.00 0.00 66.41 65.95 1kkp h THR 104 Cb 0.27 2.30 0.00 0.00 -1.74 0.00 0.00 68.15 68.98 1kkp h THR 104 CO -0.03 0.37 -0.47 1.33 0.37 0.00 0.00 175.52 177.09 1kkp n VAL 105 N -4.74 0.00 -4.20 3.16 0.24 -0.87 -5.02 118.33 106.90 1kkp n VAL 105 Ca -0.08 -0.27 -0.29 0.00 -2.04 0.00 0.00 64.34 61.66 1kkp n VAL 105 Cb 0.32 1.05 -0.09 0.00 -1.47 0.00 0.00 33.84 33.64 1kkp n VAL 105 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1kkp s LEU 106 N -2.33 3.16 0.20 1.34 1.43 -0.21 -5.02 118.68 117.25 1kkp s LEU 106 Ca 0.06 -0.35 0.05 0.00 -1.03 0.00 0.00 54.13 52.87 1kkp s LEU 106 Cb 0.09 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 1kkp s LEU 106 CO 0.44 0.17 0.20 -1.83 0.23 0.00 0.00 176.35 175.55 1kkp s GLU 107 N -2.32 3.02 0.14 1.70 -1.05 -1.26 -4.70 118.70 114.22 1kkp s GLU 107 Ca 0.23 -0.89 -0.35 0.00 -0.15 0.00 0.00 54.97 53.81 1kkp s GLU 107 Cb -0.11 -2.68 -0.15 0.00 -0.44 0.00 0.00 34.13 30.75 1kkp s GLU 107 CO 0.15 0.45 1.48 1.58 0.95 0.00 0.00 175.26 179.88 1kkp n HIS 108 N -0.76 1.98 -0.53 4.83 -0.00 -1.26 -1.53 115.22 117.94 1kkp n HIS 108 Ca -0.08 0.41 0.00 0.00 -0.00 0.00 0.00 57.72 58.05 1kkp n HIS 108 Cb 0.56 -2.46 0.00 0.00 -0.00 0.00 0.00 29.99 28.09 1kkp n HIS 108 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1kkp n GLY 109 N 3.04 1.12 3.74 1.57 0.00 0.31 -5.01 105.19 109.96 1kkp n GLY 109 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1kkp n GLY 109 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1kkp s ASP 110 N -3.08 4.71 0.00 1.61 1.01 -0.58 -4.01 116.67 116.32 1kkp s ASP 110 Ca 0.00 2.25 -0.25 0.00 0.71 0.00 0.00 52.55 55.26 1kkp s ASP 110 Cb 0.00 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.31 1kkp s ASP 110 CO 0.00 -1.91 0.77 -0.89 0.21 0.00 0.00 175.17 173.35 1kkp s THR 111 N -2.01 4.86 -0.01 -1.27 2.01 -1.26 -0.34 115.64 117.61 1kkp s THR 111 Ca 0.73 1.62 0.05 0.00 0.31 0.00 0.00 61.69 64.39 1kkp s THR 111 Cb -0.27 -4.11 -0.01 0.00 0.01 0.00 0.00 72.50 68.12 1kkp s THR 111 CO 0.41 0.30 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.80 1kkp s VAL 112 N 0.36 1.22 -0.22 3.82 1.01 0.03 -1.23 120.40 125.40 1kkp s VAL 112 Ca 0.40 -0.66 -0.05 0.00 0.00 0.00 0.00 61.98 61.67 1kkp s VAL 112 Cb -0.20 -1.02 -0.02 0.00 0.00 0.00 0.00 36.38 35.15 1kkp s VAL 112 CO 0.22 0.35 -0.01 -0.22 0.00 0.00 0.00 175.10 175.44 1kkp s LEU 113 N -0.35 3.12 0.28 3.92 2.96 -0.80 -0.40 118.68 127.41 1kkp s LEU 113 Ca 0.06 -0.29 0.03 0.00 -0.22 0.00 0.00 54.13 53.71 1kkp s LEU 113 Cb -0.06 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 1kkp s LEU 113 CO -0.01 0.01 0.19 -0.83 -1.32 0.00 0.00 176.35 174.39 1kkp s GLY 114 N 1.35 1.96 0.24 7.98 0.00 -0.34 0.32 107.32 118.83 1kkp s GLY 114 Ca 0.04 -1.84 -0.30 0.00 0.00 0.00 0.00 44.72 42.63 1kkp s GLY 114 CO 0.00 -1.50 1.33 -0.29 0.00 0.00 0.00 173.10 172.64 1kkp s MET 115 N -3.81 4.37 -0.02 2.90 1.75 -1.26 -1.62 119.30 121.62 1kkp s MET 115 Ca 0.38 2.13 -0.38 0.00 -1.25 0.00 0.00 55.69 56.58 1kkp s MET 115 Cb 0.05 -3.15 -0.16 0.00 2.84 0.00 0.00 34.83 34.40 1kkp s MET 115 CO 0.19 -0.25 1.46 -1.71 -0.65 0.00 0.00 175.02 174.06 1kkp n ASN 116 N 2.12 1.89 -0.01 1.11 2.85 -0.03 -4.01 115.26 119.17 1kkp n ASN 116 Ca 0.05 1.10 0.06 0.00 -0.11 0.00 0.00 54.58 55.68 1kkp n ASN 116 Cb 0.42 -1.18 0.45 0.00 1.24 0.00 0.00 39.78 40.71 1kkp n ASN 116 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1kkp h LEU 117 N 5.37 0.44 -0.34 1.20 3.38 -1.91 -0.67 115.31 122.77 1kkp h LEU 117 Ca -0.47 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1kkp h LEU 117 Cb 1.33 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1kkp h LEU 117 CO 0.83 0.30 -0.01 -1.54 0.09 0.00 0.00 178.44 178.12 1kkp n SER 118 N -4.48 0.53 -0.56 -0.43 3.41 -1.26 -3.01 113.62 107.82 1kkp n SER 118 Ca 0.05 -1.12 0.06 0.00 -0.26 0.00 0.00 58.87 57.60 1kkp n SER 118 Cb 0.13 -0.01 0.08 0.00 -0.26 0.00 0.00 64.21 64.15 1kkp n SER 118 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1kkp n HIS 119 N -0.61 0.13 0.00 7.33 8.25 -0.35 -3.82 115.22 126.15 1kkp n HIS 119 Ca 0.21 -0.12 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 1kkp n HIS 119 Cb 0.21 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.31 1kkp n HIS 119 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1kkp n GLY 120 N 0.70 1.01 3.73 -1.41 0.00 -1.08 -4.78 105.19 103.35 1kkp n GLY 120 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 1kkp n GLY 120 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1kkp s GLY 121 N -0.33 2.03 0.38 -0.02 0.00 -0.65 -0.54 107.32 108.20 1kkp s GLY 121 Ca 0.00 0.64 -0.01 0.00 0.00 0.00 0.00 44.72 45.35 1kkp s GLY 121 CO 0.00 1.03 0.62 -1.58 0.00 0.00 0.00 173.10 173.17 1kkp s HIS 122 N -2.37 3.52 0.29 1.90 5.65 -1.26 -4.56 115.29 118.45 1kkp s HIS 122 Ca 0.69 0.50 0.04 0.00 0.25 0.00 0.00 55.06 56.54 1kkp s HIS 122 Cb -0.24 -2.02 0.72 0.00 -1.18 0.00 0.00 32.58 29.85 1kkp s HIS 122 CO 0.50 0.01 1.74 1.25 -0.65 0.00 0.00 174.74 177.58 1kkp h LEU 123 N 0.64 0.57 0.00 8.88 5.85 -1.95 0.20 115.31 129.50 1kkp h LEU 123 Ca -0.49 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1kkp h LEU 123 Cb 1.21 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.28 1kkp h LEU 123 CO 0.62 0.14 0.00 0.35 -0.34 0.00 0.00 178.44 179.21 1kkp n THR 124 N -4.90 0.00 -1.44 1.05 -2.24 -1.26 -1.91 114.28 103.58 1kkp n THR 124 Ca 0.22 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.73 1kkp n THR 124 Cb 0.60 -0.22 0.11 0.00 -2.10 0.00 0.00 70.33 68.71 1kkp n THR 124 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1kkp n HIS 125 N -0.67 2.83 0.00 4.78 8.25 0.70 -4.76 115.22 126.36 1kkp n HIS 125 Ca 0.07 -2.46 0.00 0.00 -0.26 0.00 0.00 57.72 55.07 1kkp n HIS 125 Cb 0.03 -1.04 0.00 0.00 1.12 0.00 0.00 29.99 30.11 1kkp n HIS 125 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1kkp n GLY 126 N -0.96 1.04 3.67 -1.41 0.00 -1.21 -4.72 105.19 101.60 1kkp n GLY 126 Ca 0.55 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.14 1kkp n GLY 126 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1kkp n SER 127 N 0.00 2.46 0.03 1.61 2.88 -0.80 -4.03 113.62 115.77 1kkp n SER 127 Ca 0.00 1.19 0.08 0.00 -1.33 0.00 0.00 58.87 58.81 1kkp n SER 127 Cb 0.00 -1.43 0.36 0.00 -0.75 0.00 0.00 64.21 62.38 1kkp n SER 127 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1kkp n PRO 128 N 0.90 0.04 -0.22 -1.46 -0.04 -1.26 -1.85 135.00 131.11 1kkp n PRO 128 Ca 0.07 0.28 0.07 0.00 -0.04 0.00 0.00 63.50 63.88 1kkp n PRO 128 Cb 0.34 -1.58 0.19 0.00 -0.04 0.00 0.00 33.50 32.42 1kkp n PRO 128 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1kkp n VAL 129 N -1.65 1.02 -4.19 0.52 0.24 -1.26 -4.47 118.33 108.54 1kkp n VAL 129 Ca 0.03 -1.01 -0.23 0.00 -2.04 0.00 0.00 64.34 61.10 1kkp n VAL 129 Cb 0.19 0.49 -0.06 0.00 -1.47 0.00 0.00 33.84 32.98 1kkp n VAL 129 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1kkp s ASN 130 N -1.01 4.81 0.42 -1.34 3.84 -0.77 -5.03 114.94 115.86 1kkp s ASN 130 Ca 0.29 -0.58 0.10 0.00 0.21 0.00 0.00 52.86 52.87 1kkp s ASN 130 Cb 0.15 -0.94 0.94 0.00 -0.55 0.00 0.00 41.25 40.85 1kkp s ASN 130 CO 0.19 -0.09 2.03 2.19 -2.79 0.00 0.00 177.10 178.64 1kkp h PHE 131 N 1.70 0.47 -0.17 0.43 -0.00 -1.92 -2.04 116.94 115.41 1kkp h PHE 131 Ca -0.45 0.01 0.04 0.00 -0.00 0.00 0.00 57.97 57.58 1kkp h PHE 131 Cb 1.25 -0.16 -0.05 0.00 -0.00 0.00 0.00 35.95 37.00 1kkp h PHE 131 CO 0.64 0.27 -0.11 0.66 -0.00 0.00 0.00 178.31 179.76 1kkp h SER 132 N 0.48 -0.36 0.67 -0.68 4.64 -1.86 0.22 113.55 116.67 1kkp h SER 132 Ca 0.19 0.08 -0.12 0.00 -0.47 0.00 0.00 61.79 61.47 1kkp h SER 132 Cb 0.17 0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.43 1kkp h SER 132 CO -0.05 -0.15 -0.59 1.23 -0.87 0.00 0.00 176.83 176.40 1kkp h GLY 133 N -0.11 0.00 1.03 -0.77 0.00 -1.03 -1.95 103.07 100.25 1kkp h GLY 133 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.16 1kkp h GLY 133 CO -0.24 0.00 -1.20 -2.08 0.00 0.00 0.00 176.54 173.02 1kkp h VAL 134 N 0.00 1.37 0.04 4.60 2.07 -1.08 -3.37 116.25 119.88 1kkp h VAL 134 Ca -0.01 -2.61 -0.24 0.00 0.82 0.00 0.00 66.70 64.66 1kkp h VAL 134 Cb 1.08 3.08 0.00 0.00 -1.52 0.00 0.00 31.29 33.94 1kkp h VAL 134 CO 0.08 0.77 -1.02 -0.61 0.02 0.00 0.00 177.57 176.80 1kkp h GLN 135 N -0.05 0.36 -5.56 1.57 5.75 -0.62 -3.47 115.11 113.09 1kkp h GLN 135 Ca -0.21 -0.43 -0.56 0.00 -0.15 0.00 0.00 58.65 57.30 1kkp h GLN 135 Cb 1.94 0.14 -0.13 0.00 1.07 0.00 0.00 27.48 30.50 1kkp h GLN 135 CO 0.23 1.13 -0.63 0.71 -2.65 0.00 0.00 178.83 177.61 1kkp s TYR 136 N -3.09 2.25 -0.79 3.99 2.02 -0.73 -0.53 117.35 120.46 1kkp s TYR 136 Ca -0.05 -0.73 -0.17 0.00 -0.37 0.00 0.00 57.07 55.75 1kkp s TYR 136 Cb 0.08 -1.46 0.15 0.00 -0.40 0.00 0.00 41.96 40.33 1kkp s TYR 136 CO 0.87 0.32 0.88 1.21 -1.57 0.00 0.00 175.55 177.26 1kkp s ASN 137 N -3.58 6.52 0.09 2.29 2.47 0.54 -4.58 114.94 118.69 1kkp s ASN 137 Ca 0.34 -2.04 -0.22 0.00 0.42 0.00 0.00 52.86 51.36 1kkp s ASN 137 Cb 0.07 -2.31 -0.07 0.00 -1.45 0.00 0.00 41.25 37.49 1kkp s ASN 137 CO 0.16 -0.93 0.65 -0.36 -3.72 0.00 0.00 177.10 172.90 1kkp s PHE 138 N 1.93 3.82 0.18 0.43 0.40 -1.26 -0.79 117.98 122.68 1kkp s PHE 138 Ca 0.21 1.39 0.10 0.00 -0.60 0.00 0.00 56.93 58.04 1kkp s PHE 138 Cb -0.13 -2.62 -0.04 0.00 0.51 0.00 0.00 43.02 40.74 1kkp s PHE 138 CO -0.04 0.50 -0.22 0.14 0.70 0.00 0.00 175.22 176.30 1kkp s VAL 139 N -0.89 2.16 0.10 -0.44 -7.23 0.46 -4.93 120.40 109.64 1kkp s VAL 139 Ca 0.32 -1.99 0.08 0.00 -1.81 0.00 0.00 61.98 58.58 1kkp s VAL 139 Cb -0.21 -2.02 -0.04 0.00 0.56 0.00 0.00 36.38 34.68 1kkp s VAL 139 CO 0.21 -0.18 -0.21 0.00 -0.31 0.00 0.00 175.10 174.61 1kkp s ALA 140 N -1.79 1.81 0.17 1.32 0.00 -1.26 -1.19 121.76 120.82 1kkp s ALA 140 Ca 0.19 -1.25 0.07 0.00 0.00 0.00 0.00 51.96 50.96 1kkp s ALA 140 Cb -0.07 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 1kkp s ALA 140 CO 0.09 0.36 0.04 1.52 0.00 0.00 0.00 175.76 177.76 1kkp s TYR 141 N -1.19 2.92 0.50 0.00 -0.85 -0.64 -4.83 117.35 113.26 1kkp s TYR 141 Ca 0.07 -0.11 0.01 0.00 -0.52 0.00 0.00 57.07 56.52 1kkp s TYR 141 Cb -0.10 -1.41 -0.01 0.00 0.38 0.00 0.00 41.96 40.83 1kkp s TYR 141 CO 0.04 0.52 0.05 0.20 -1.52 0.00 0.00 175.55 174.84 1kkp s GLY 142 N -3.01 2.99 0.25 5.49 0.00 -1.26 -0.85 107.32 110.93 1kkp s GLY 142 Ca 0.28 -0.40 0.04 0.00 0.00 0.00 0.00 44.72 44.64 1kkp s GLY 142 CO 0.20 -2.10 0.39 -1.34 0.00 0.00 0.00 173.10 170.26 1kkp s VAL 143 N -2.99 5.23 0.33 1.40 -7.23 -1.26 -1.44 120.40 114.45 1kkp s VAL 143 Ca 0.08 -0.84 -0.29 0.00 -1.81 0.00 0.00 61.98 59.12 1kkp s VAL 143 Cb 0.01 -3.85 -0.11 0.00 0.56 0.00 0.00 36.38 32.99 1kkp s VAL 143 CO 0.05 -0.35 1.46 -0.62 -0.31 0.00 0.00 175.10 175.33 1kkp s ASP 144 N -3.91 6.49 0.59 4.85 -1.08 -0.03 -4.77 116.67 118.81 1kkp s ASP 144 Ca 0.35 2.89 0.32 0.00 -0.52 0.00 0.00 52.55 55.60 1kkp s ASP 144 Cb -0.09 -2.65 1.84 0.00 -1.46 0.00 0.00 42.92 40.56 1kkp s ASP 144 CO 0.30 -0.78 2.23 -0.65 0.52 0.00 0.00 175.17 176.79 1kkp h PRO 145 N 3.76 0.00 0.00 4.34 0.11 -1.97 -0.33 132.00 137.91 1kkp h PRO 145 Ca -0.49 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.28 1kkp h PRO 145 Cb 1.23 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.28 1kkp h PRO 145 CO 0.70 0.03 -2.20 0.39 -0.21 0.00 0.00 178.00 176.71 1kkp n GLU 146 N -3.60 0.49 0.13 1.05 4.71 -1.26 -4.65 120.64 117.50 1kkp n GLU 146 Ca -0.03 0.16 0.07 0.00 -0.01 0.00 0.00 57.16 57.36 1kkp n GLU 146 Cb 0.13 -1.35 0.04 0.00 -1.01 0.00 0.00 31.44 29.24 1kkp n GLU 146 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 177.13 179.01 1kkp h THR 147 N -0.37 0.30 -0.63 2.62 1.35 -1.97 -3.46 112.91 110.75 1kkp h THR 147 Ca -0.51 -1.48 -0.27 0.00 -0.55 0.00 0.00 66.41 63.61 1kkp h THR 147 Cb 1.61 1.96 -0.11 0.00 -1.73 0.00 0.00 68.15 69.87 1kkp h THR 147 CO -0.20 0.17 -0.25 1.41 -0.25 0.00 0.00 175.52 176.41 1kkp n HIS 148 N -2.96 0.00 -3.64 4.73 8.25 -0.14 -4.04 115.22 117.42 1kkp n HIS 148 Ca -0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.09 1kkp n HIS 148 Cb 0.64 -2.61 -0.06 0.00 1.12 0.00 0.00 29.99 29.09 1kkp n HIS 148 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1kkp s VAL 149 N -2.34 5.20 0.13 1.59 1.01 -1.26 -4.70 120.40 120.03 1kkp s VAL 149 Ca 0.00 0.54 -0.35 0.00 0.00 0.00 0.00 61.98 62.18 1kkp s VAL 149 Cb 0.00 -3.60 -0.17 0.00 0.00 0.00 0.00 36.38 32.61 1kkp s VAL 149 CO 0.00 0.53 1.14 -0.38 0.00 0.00 0.00 175.10 176.39 1kkp n ILE 150 N 1.67 0.63 -2.95 2.22 5.41 -1.26 -0.85 119.36 124.22 1kkp n ILE 150 Ca -0.15 -0.16 -0.43 0.00 1.00 0.00 0.00 62.75 63.01 1kkp n ILE 150 Cb 0.53 -0.63 -0.04 0.00 -0.71 0.00 0.00 39.64 38.79 1kkp n ILE 150 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1kkp s ASP 151 N 0.03 6.21 0.50 4.38 3.68 -0.52 -4.73 116.67 126.22 1kkp s ASP 151 Ca 0.78 -0.95 0.24 0.00 2.13 0.00 0.00 52.55 54.75 1kkp s ASP 151 Cb -0.95 -2.38 1.32 0.00 -1.45 0.00 0.00 42.92 39.46 1kkp s ASP 151 CO 0.52 -1.25 2.04 1.88 0.13 0.00 0.00 175.17 178.49 1kkp h TYR 152 N 9.35 0.00 -0.07 -5.34 -1.99 -1.89 -0.04 116.97 116.99 1kkp h TYR 152 Ca -0.28 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.32 1kkp h TYR 152 Cb 1.08 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.79 1kkp h TYR 152 CO 0.90 0.15 -0.54 -0.44 -0.00 0.00 0.00 178.16 178.22 1kkp h ASP 153 N 0.00 0.21 -0.26 3.88 3.32 -1.97 -1.51 116.42 120.09 1kkp h ASP 153 Ca -0.00 -0.11 -0.19 0.00 0.02 0.00 0.00 57.03 56.75 1kkp h ASP 153 Cb 0.36 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1kkp h ASP 153 CO 0.02 0.71 -0.57 -0.78 -1.72 0.00 0.00 179.24 176.90 1kkp h ASP 154 N 0.15 0.96 -0.30 6.45 3.58 -1.41 -0.40 116.42 125.44 1kkp h ASP 154 Ca 0.00 -0.53 0.03 0.00 0.42 0.00 0.00 57.03 56.96 1kkp h ASP 154 Cb 1.00 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 41.74 1kkp h ASP 154 CO 0.08 1.32 0.10 0.58 -2.88 0.00 0.00 179.24 178.44 1kkp h VAL 155 N 0.65 0.91 -0.61 2.25 2.07 -1.05 -1.41 116.25 119.06 1kkp h VAL 155 Ca 0.01 -0.08 -0.08 0.00 0.82 0.00 0.00 66.70 67.37 1kkp h VAL 155 Cb 1.18 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 1kkp h VAL 155 CO 0.12 0.04 0.07 -0.09 0.02 0.00 0.00 177.57 177.74 1kkp h ARG 156 N 0.23 1.03 -0.29 1.57 2.43 -1.19 -1.16 114.38 116.99 1kkp h ARG 156 Ca 0.14 -0.29 -0.07 0.00 -0.81 0.00 0.00 59.98 58.95 1kkp h ARG 156 Cb 0.11 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1kkp h ARG 156 CO -0.15 0.98 -0.08 1.49 -1.51 0.00 0.00 179.97 180.71 1kkp h GLU 157 N 0.93 0.57 -0.65 0.20 4.81 -0.83 -0.85 114.58 118.76 1kkp h GLU 157 Ca 0.18 -0.22 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 1kkp h GLU 157 Cb 0.47 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 1kkp h GLU 157 CO 0.02 0.77 0.30 0.87 -0.73 0.00 0.00 179.01 180.24 1kkp h LYS 158 N 0.33 0.94 -0.42 1.92 1.79 -1.26 -1.23 116.57 118.64 1kkp h LYS 158 Ca 0.07 -0.14 -0.01 0.00 -2.18 0.00 0.00 60.65 58.39 1kkp h LYS 158 Cb 0.56 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 31.03 1kkp h LYS 158 CO 0.03 0.76 0.22 0.00 -1.08 0.00 0.00 179.45 179.37 1kkp h ALA 159 N 1.14 0.54 -0.26 3.86 0.00 -1.02 0.57 119.26 124.09 1kkp h ALA 159 Ca 0.22 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1kkp h ALA 159 Cb 0.13 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1kkp h ALA 159 CO -0.03 0.09 -0.27 0.00 0.00 0.00 0.00 179.25 179.04 1kkp h ARG 160 N 0.55 0.51 0.04 0.00 3.08 -0.95 0.91 114.38 118.52 1kkp h ARG 160 Ca 0.15 -0.20 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1kkp h ARG 160 Cb 0.08 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1kkp h ARG 160 CO -0.02 0.74 -0.02 1.25 -1.07 0.00 0.00 179.97 180.85 1kkp h LEU 161 N 0.45 -0.05 0.00 3.04 5.85 -1.12 -3.36 115.31 120.12 1kkp h LEU 161 Ca 0.06 -0.61 0.00 0.00 0.84 0.00 0.00 57.88 58.17 1kkp h LEU 161 Cb 0.71 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.75 1kkp h LEU 161 CO 0.05 0.64 -0.51 1.41 -0.34 0.00 0.00 178.44 179.69 1kkp n HIS 162 N -4.78 0.20 -3.72 1.25 8.25 0.18 -5.00 115.22 111.60 1kkp n HIS 162 Ca -0.08 0.06 -0.29 0.00 -0.26 0.00 0.00 57.72 57.14 1kkp n HIS 162 Cb 0.33 -0.42 0.02 0.00 1.12 0.00 0.00 29.99 31.04 1kkp n HIS 162 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1kkp n ARG 163 N -1.72 -1.10 -2.14 -0.41 5.12 0.31 -4.91 116.66 111.81 1kkp n ARG 163 Ca 0.05 0.57 -0.35 0.00 -1.93 0.00 0.00 57.85 56.19 1kkp n ARG 163 Cb 0.37 -3.52 0.01 0.00 -1.16 0.00 0.00 32.46 28.16 1kkp n ARG 163 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1kkp s PRO 164 N -5.68 3.20 0.28 5.56 0.04 -1.26 -4.84 135.00 132.30 1kkp s PRO 164 Ca 0.31 1.61 0.16 0.00 0.04 0.00 0.00 61.00 63.12 1kkp s PRO 164 Cb -0.13 -1.98 0.08 0.00 0.04 0.00 0.00 34.50 32.51 1kkp s PRO 164 CO 0.88 -0.97 1.41 -0.22 0.04 0.00 0.00 177.00 178.14 1kkp h LYS 165 N 0.96 0.00 -3.50 4.56 3.64 -1.52 -3.41 116.57 117.30 1kkp h LYS 165 Ca -0.50 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 58.68 1kkp h LYS 165 Cb 1.27 0.00 -0.27 0.00 -0.41 0.00 0.00 32.23 32.82 1kkp h LYS 165 CO 0.56 0.42 -0.60 -1.17 -2.27 0.00 0.00 179.45 176.39 1kkp s LEU 166 N -6.36 1.63 -0.10 5.20 2.96 -1.25 -1.40 118.68 119.36 1kkp s LEU 166 Ca 0.04 0.18 0.01 0.00 -0.22 0.00 0.00 54.13 54.14 1kkp s LEU 166 Cb 0.07 0.34 -0.02 0.00 0.50 0.00 0.00 46.19 47.08 1kkp s LEU 166 CO 0.74 -0.04 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.99 1kkp s ILE 167 N 0.01 3.26 -0.15 6.68 1.01 0.21 -1.91 121.20 130.31 1kkp s ILE 167 Ca -0.00 -0.61 -0.03 0.00 0.00 0.00 0.00 60.65 60.00 1kkp s ILE 167 Cb -0.01 -2.35 -0.03 0.00 0.01 0.00 0.00 42.46 40.09 1kkp s ILE 167 CO 0.00 0.55 -0.05 -0.69 0.00 0.00 0.00 174.94 174.75 1kkp s VAL 168 N -0.11 3.79 0.10 2.92 1.01 0.15 -1.05 120.40 127.22 1kkp s VAL 168 Ca -0.01 -0.40 0.10 0.00 0.00 0.00 0.00 61.98 61.67 1kkp s VAL 168 Cb -0.14 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 1kkp s VAL 168 CO 0.03 0.50 -0.24 0.00 0.00 0.00 0.00 175.10 175.40 1kkp s ALA 169 N 0.31 2.45 0.00 5.51 0.00 -0.25 -4.00 121.76 125.78 1kkp s ALA 169 Ca -0.05 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 50.54 1kkp s ALA 169 Cb -0.14 -0.50 0.00 0.00 0.00 0.00 0.00 23.12 22.48 1kkp s ALA 169 CO 0.03 0.55 0.00 0.00 0.00 0.00 0.00 175.76 176.35 1kkp n ALA 170 N 1.11 0.00 -3.19 0.00 0.00 -1.26 -0.53 120.51 116.64 1kkp n ALA 170 Ca -0.17 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.18 1kkp n ALA 170 Cb 0.53 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.93 1kkp n ALA 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kkp s ALA 171 N -2.10 -0.48 -0.64 0.00 0.00 -1.26 -4.66 121.76 112.62 1kkp s ALA 171 Ca 0.00 -0.64 0.22 0.00 0.00 0.00 0.00 51.96 51.54 1kkp s ALA 171 Cb 0.00 0.95 -0.06 0.00 0.00 0.00 0.00 23.12 24.02 1kkp s ALA 171 CO 0.00 -0.82 0.93 0.43 0.00 0.00 0.00 175.76 176.31 1kkp n SER 172 N -0.35 0.62 -2.79 0.00 7.64 0.30 -4.52 113.62 114.52 1kkp n SER 172 Ca -0.05 -0.38 -0.10 0.00 1.01 0.00 0.00 58.87 59.34 1kkp n SER 172 Cb 0.62 0.99 0.06 0.00 -1.01 0.00 0.00 64.21 64.87 1kkp n SER 172 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1kkp n ALA 173 N -1.79 1.71 -4.07 -0.43 0.00 -1.03 -4.99 120.51 109.92 1kkp n ALA 173 Ca 0.02 -2.34 -0.32 0.00 0.00 0.00 0.00 53.44 50.80 1kkp n ALA 173 Cb 0.42 -1.00 -0.16 0.00 0.00 0.00 0.00 19.45 18.72 1kkp n ALA 173 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1kkp s TYR 174 N -1.38 2.84 -2.06 0.00 5.04 -1.26 -4.52 117.35 116.01 1kkp s TYR 174 Ca 0.27 -1.86 0.11 0.00 -2.44 0.00 0.00 57.07 53.15 1kkp s TYR 174 Cb 0.39 -1.84 0.47 0.00 0.35 0.00 0.00 41.96 41.33 1kkp s TYR 174 CO -0.04 -0.81 1.33 -0.35 -1.34 0.00 0.00 175.55 174.34 1kkp n PRO 175 N 4.57 1.40 -4.49 4.97 -0.04 -1.26 -4.90 135.00 135.25 1kkp n PRO 175 Ca -0.17 -0.61 -0.24 0.00 -0.04 0.00 0.00 63.50 62.45 1kkp n PRO 175 Cb 0.46 -1.22 -0.10 0.00 -0.04 0.00 0.00 33.50 32.60 1kkp n PRO 175 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1kkp s ARG 176 N -1.81 1.68 0.35 0.54 1.81 -1.26 -0.13 118.95 120.13 1kkp s ARG 176 Ca 0.19 -1.85 -0.28 0.00 -1.72 0.00 0.00 55.73 52.07 1kkp s ARG 176 Cb 0.10 -1.48 -0.10 0.00 -0.45 0.00 0.00 34.95 33.02 1kkp s ARG 176 CO 0.15 0.12 1.35 0.42 -0.68 0.00 0.00 175.30 176.66 1kkp s ILE 177 N -2.77 2.52 -0.14 1.52 1.01 -1.26 -4.89 121.20 117.19 1kkp s ILE 177 Ca 0.31 0.52 -0.10 0.00 0.00 0.00 0.00 60.65 61.38 1kkp s ILE 177 Cb 0.02 -3.33 -0.05 0.00 0.01 0.00 0.00 42.46 39.12 1kkp s ILE 177 CO 0.14 0.12 0.19 -0.63 0.00 0.00 0.00 174.94 174.77 1kkp s ILE 178 N -1.15 5.39 -0.90 2.92 1.01 -1.26 -5.01 121.20 122.20 1kkp s ILE 178 Ca 0.51 0.34 -0.19 0.00 0.00 0.00 0.00 60.65 61.31 1kkp s ILE 178 Cb -0.41 -3.50 0.13 0.00 0.01 0.00 0.00 42.46 38.69 1kkp s ILE 178 CO 0.55 0.52 1.08 -0.62 0.00 0.00 0.00 174.94 176.46 1kkp s ASP 179 N -0.32 6.60 0.45 3.58 -1.08 -1.26 -4.88 116.67 119.76 1kkp s ASP 179 Ca 0.14 -2.02 0.19 0.00 -0.52 0.00 0.00 52.55 50.34 1kkp s ASP 179 Cb -0.12 -2.38 1.05 0.00 -1.46 0.00 0.00 42.92 40.01 1kkp s ASP 179 CO 0.03 -1.05 1.95 -0.26 0.52 0.00 0.00 175.17 176.36 1kkp h PHE 180 N 8.80 0.00 -0.55 -5.34 0.05 -1.95 -2.59 116.94 115.36 1kkp h PHE 180 Ca 0.12 0.00 -0.01 0.00 3.82 0.00 0.00 57.97 61.89 1kkp h PHE 180 Cb 1.03 0.00 -0.03 0.00 2.00 0.00 0.00 35.95 38.95 1kkp h PHE 180 CO 1.14 0.23 0.30 0.00 -0.18 0.00 0.00 178.31 179.80 1kkp h ALA 181 N 1.77 0.71 -0.52 2.45 0.00 -1.95 0.10 119.26 121.81 1kkp h ALA 181 Ca -0.00 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1kkp h ALA 181 Cb 0.48 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1kkp h ALA 181 CO 0.03 0.22 -0.01 0.87 0.00 0.00 0.00 179.25 180.36 1kkp h LYS 182 N 0.74 0.93 -0.68 0.00 1.57 -1.90 0.05 116.57 117.28 1kkp h LYS 182 Ca 0.19 -0.30 0.04 0.00 -1.87 0.00 0.00 60.65 58.71 1kkp h LYS 182 Cb 0.04 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.23 1kkp h LYS 182 CO -0.03 0.95 0.42 0.74 -0.57 0.00 0.00 179.45 180.96 1kkp h PHE 183 N 0.80 0.77 -0.40 -1.35 0.04 -1.12 -1.13 116.94 114.55 1kkp h PHE 183 Ca 0.15 0.02 -0.12 0.00 2.80 0.00 0.00 57.97 60.82 1kkp h PHE 183 Cb 0.54 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.43 1kkp h PHE 183 CO 0.04 0.43 -0.24 -0.09 -0.60 0.00 0.00 178.31 177.85 1kkp h ARG 184 N 0.80 0.82 -0.88 1.51 9.65 -0.71 -1.00 114.38 124.56 1kkp h ARG 184 Ca 0.28 -0.34 0.01 0.00 -1.10 0.00 0.00 59.98 58.83 1kkp h ARG 184 Cb 0.06 -0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 28.56 1kkp h ARG 184 CO -0.12 0.97 0.58 1.49 2.80 0.00 0.00 179.97 185.69 1kkp h GLU 185 N 0.71 1.14 -0.36 0.20 4.81 -0.42 -0.55 114.58 120.11 1kkp h GLU 185 Ca 0.09 -0.07 -0.13 0.00 -0.13 0.00 0.00 59.36 59.12 1kkp h GLU 185 Cb 0.77 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 1kkp h GLU 185 CO 0.06 0.75 -0.29 0.82 -0.73 0.00 0.00 179.01 179.62 1kkp h ILE 186 N 1.17 1.28 -0.59 2.32 2.04 -0.98 -2.03 117.51 120.72 1kkp h ILE 186 Ca 0.33 -1.46 0.01 0.00 1.00 0.00 0.00 64.86 64.74 1kkp h ILE 186 Cb -0.11 1.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 1kkp h ILE 186 CO -0.08 0.48 0.39 0.00 0.00 0.00 0.00 178.15 178.94 1kkp h ALA 187 N 0.76 0.75 -0.67 1.87 0.00 -0.83 -1.98 119.26 119.17 1kkp h ALA 187 Ca 0.06 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1kkp h ALA 187 Cb 0.87 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1kkp h ALA 187 CO 0.08 0.17 0.24 -0.44 0.00 0.00 0.00 179.25 179.30 1kkp h ASP 188 N 0.79 0.92 -1.01 0.00 3.45 -1.03 0.24 116.42 119.79 1kkp h ASP 188 Ca 0.22 -0.14 0.01 0.00 0.43 0.00 0.00 57.03 57.55 1kkp h ASP 188 Cb -0.08 -0.24 -0.05 0.00 -0.56 0.00 0.00 39.33 38.40 1kkp h ASP 188 CO -0.05 0.84 0.67 -0.08 -1.57 0.00 0.00 179.24 179.05 1kkp h GLU 189 N 0.98 1.31 -0.29 3.56 4.81 -0.63 -3.05 114.58 121.27 1kkp h GLU 189 Ca 0.22 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1kkp h GLU 189 Cb 0.23 -0.30 0.00 0.00 0.63 0.00 0.00 28.75 29.31 1kkp h GLU 189 CO -0.01 0.87 0.00 1.33 -0.73 0.00 0.00 179.01 180.47 1kkp n VAL 190 N -4.39 0.46 -3.03 0.32 0.24 -0.93 -4.98 118.33 106.02 1kkp n VAL 190 Ca 0.12 -0.73 -0.12 0.00 -2.04 0.00 0.00 64.34 61.57 1kkp n VAL 190 Cb 0.02 0.99 0.05 0.00 -1.47 0.00 0.00 33.84 33.43 1kkp n VAL 190 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1kkp n GLY 191 N 1.16 0.07 3.64 7.63 0.00 0.20 -4.90 105.19 112.99 1kkp n GLY 191 Ca 0.15 -0.15 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1kkp n GLY 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kkp s ALA 192 N -3.19 3.14 0.62 4.61 0.00 0.59 -4.92 121.76 122.61 1kkp s ALA 192 Ca 0.23 -1.49 -0.12 0.00 0.00 0.00 0.00 51.96 50.58 1kkp s ALA 192 Cb -0.10 -0.87 -0.03 0.00 0.00 0.00 0.00 23.12 22.12 1kkp s ALA 192 CO 0.42 0.40 1.03 0.71 0.00 0.00 0.00 175.76 178.31 1kkp s TYR 193 N -1.94 3.42 -0.14 0.00 2.02 -0.49 -4.43 117.35 115.78 1kkp s TYR 193 Ca 0.28 1.37 0.01 0.00 -0.37 0.00 0.00 57.07 58.37 1kkp s TYR 193 Cb -0.08 -2.80 0.00 0.00 -0.40 0.00 0.00 41.96 38.68 1kkp s TYR 193 CO 0.18 -0.81 -0.18 -1.17 -1.57 0.00 0.00 175.55 172.00 1kkp s LEU 194 N -5.05 2.36 -0.13 -1.29 2.96 -1.26 -0.62 118.68 115.65 1kkp s LEU 194 Ca 0.57 -0.50 -0.00 0.00 -0.22 0.00 0.00 54.13 53.98 1kkp s LEU 194 Cb -0.12 -1.52 -0.02 0.00 0.50 0.00 0.00 46.19 45.04 1kkp s LEU 194 CO 0.49 0.10 -0.13 -0.32 -1.32 0.00 0.00 176.35 175.18 1kkp s MET 195 N 0.71 3.37 -0.21 1.98 -2.45 -0.21 -0.99 119.30 121.49 1kkp s MET 195 Ca -0.08 -0.68 -0.03 0.00 -1.25 0.00 0.00 55.69 53.65 1kkp s MET 195 Cb -0.16 -2.63 -0.00 0.00 1.25 0.00 0.00 34.83 33.29 1kkp s MET 195 CO 0.01 0.23 -0.08 0.08 1.05 0.00 0.00 175.02 176.31 1kkp s VAL 196 N 0.32 3.09 -0.71 10.11 1.01 -0.01 -1.09 120.40 133.11 1kkp s VAL 196 Ca -0.10 -0.59 -0.17 0.00 0.00 0.00 0.00 61.98 61.11 1kkp s VAL 196 Cb -0.16 -2.39 0.14 0.00 0.00 0.00 0.00 36.38 33.98 1kkp s VAL 196 CO 0.06 0.45 0.78 -0.62 0.00 0.00 0.00 175.10 175.76 1kkp s ASP 197 N 1.42 6.41 -0.11 3.32 -1.08 0.31 -0.67 116.67 126.27 1kkp s ASP 197 Ca 0.05 -1.90 0.09 0.00 -0.52 0.00 0.00 52.55 50.28 1kkp s ASP 197 Cb -0.14 -2.29 0.46 0.00 -1.46 0.00 0.00 42.92 39.49 1kkp s ASP 197 CO -0.05 -0.95 1.24 1.15 0.52 0.00 0.00 175.17 177.08 1kkp n MET 198 N 5.67 3.01 -0.34 4.34 0.00 0.37 -4.03 117.12 126.14 1kkp n MET 198 Ca 0.02 -1.76 -0.02 0.00 0.00 0.00 0.00 57.70 55.94 1kkp n MET 198 Cb 0.44 -1.83 0.03 0.00 0.00 0.00 0.00 33.22 31.87 1kkp n MET 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1kkp h ALA 199 N 3.27 0.10 -0.54 3.17 0.00 -1.88 -1.02 119.26 122.36 1kkp h ALA 199 Ca 0.00 0.25 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 1kkp h ALA 199 Cb 1.21 0.97 -0.02 0.00 0.00 0.00 0.00 17.79 19.94 1kkp h ALA 199 CO 0.23 -0.64 0.05 0.45 0.00 0.00 0.00 179.25 179.34 1kkp h HIS 200 N -0.04 0.93 -0.60 0.00 3.86 -1.84 -3.31 115.15 114.17 1kkp h HIS 200 Ca 0.32 -0.12 0.00 0.00 -1.16 0.00 0.00 60.37 59.40 1kkp h HIS 200 Cb 0.58 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.79 1kkp h HIS 200 CO -0.82 0.82 0.00 0.44 0.86 0.00 0.00 177.93 179.23 1kkp n ILE 201 N -4.22 0.96 -0.24 2.45 -5.35 -0.55 -3.83 119.36 108.58 1kkp n ILE 201 Ca 0.03 -0.98 0.03 0.00 -0.27 0.00 0.00 62.75 61.56 1kkp n ILE 201 Cb 0.28 0.53 0.15 0.00 -1.74 0.00 0.00 39.64 38.87 1kkp n ILE 201 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1kkp h ALA 202 N 3.61 0.98 -0.67 -1.28 0.00 -1.32 0.53 119.26 121.11 1kkp h ALA 202 Ca 0.00 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1kkp h ALA 202 Cb 0.91 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1kkp h ALA 202 CO 0.00 -0.16 0.23 0.78 0.00 0.00 0.00 179.25 180.11 1kkp h GLY 203 N 0.48 1.08 1.03 0.00 0.00 -1.83 -0.67 103.07 103.17 1kkp h GLY 203 Ca 0.37 -0.60 -0.09 0.00 0.00 0.00 0.00 47.33 47.02 1kkp h GLY 203 CO -0.34 0.56 -0.01 1.41 0.00 0.00 0.00 176.54 178.16 1kkp h LEU 204 N 0.98 0.92 -0.35 3.11 3.38 -1.49 -1.61 115.31 120.25 1kkp h LEU 204 Ca 0.22 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1kkp h LEU 204 Cb 0.24 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1kkp h LEU 204 CO -0.01 1.01 0.21 0.58 0.09 0.00 0.00 178.44 180.31 1kkp h VAL 205 N 0.80 1.12 0.00 1.22 2.07 -0.68 0.14 116.25 120.93 1kkp h VAL 205 Ca 0.15 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 1kkp h VAL 205 Cb 0.54 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1kkp h VAL 205 CO 0.03 0.12 -0.09 0.00 0.02 0.00 0.00 177.57 177.65 1kkp h ALA 206 N 1.08 1.59 -0.33 1.67 0.00 -0.84 -1.93 119.26 120.51 1kkp h ALA 206 Ca 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1kkp h ALA 206 Cb 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1kkp h ALA 206 CO -0.02 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.34 1kkp n ALA 207 N -2.40 2.45 -1.53 0.00 0.00 -0.63 -4.93 120.51 113.47 1kkp n ALA 207 Ca -0.03 -0.82 -0.06 0.00 0.00 0.00 0.00 53.44 52.54 1kkp n ALA 207 Cb 0.18 -0.96 -0.02 0.00 0.00 0.00 0.00 19.45 18.65 1kkp n ALA 207 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kkp n GLY 208 N 1.35 0.57 0.68 0.00 0.00 -0.72 -4.93 105.19 102.14 1kkp n GLY 208 Ca 0.18 -0.73 0.10 0.00 0.00 0.00 0.00 46.02 45.57 1kkp n GLY 208 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1kkp n LEU 209 N -0.75 2.40 -3.83 0.99 4.77 0.46 -4.87 117.00 116.16 1kkp n LEU 209 Ca -0.06 -0.92 -0.13 0.00 -0.03 0.00 0.00 56.01 54.87 1kkp n LEU 209 Cb 0.33 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.28 1kkp n LEU 209 CO 0.09 0.42 -0.28 -2.28 -1.33 0.00 0.00 177.39 174.01 1kkp s HIS 210 N -1.86 -0.08 0.30 -1.77 2.46 -1.16 -4.91 115.29 108.26 1kkp s HIS 210 Ca 0.21 0.22 -0.28 0.00 0.47 0.00 0.00 55.06 55.68 1kkp s HIS 210 Cb 0.16 -0.02 -0.14 0.00 -0.13 0.00 0.00 32.58 32.46 1kkp s HIS 210 CO 0.33 -0.06 1.09 -2.30 -2.47 0.00 0.00 174.74 171.33 1kkp n PRO 211 N 3.32 1.56 -2.99 2.88 -0.02 -1.26 -4.37 135.00 134.11 1kkp n PRO 211 Ca -0.16 0.55 -0.40 0.00 -2.02 0.00 0.00 63.50 61.47 1kkp n PRO 211 Cb 0.57 -1.98 -0.04 0.00 -0.02 0.00 0.00 33.50 32.03 1kkp n PRO 211 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1kkp s ASN 212 N -0.48 7.01 0.39 2.55 3.84 -1.26 -4.90 114.94 122.09 1kkp s ASN 212 Ca 0.58 1.22 0.27 0.00 0.21 0.00 0.00 52.86 55.14 1kkp s ASN 212 Cb -0.67 -2.43 0.87 0.00 -0.55 0.00 0.00 41.25 38.47 1kkp s ASN 212 CO 0.60 -0.18 1.78 1.55 -2.79 0.00 0.00 177.10 178.06 1kkp h PRO 213 N 6.89 0.00 -0.58 0.43 0.13 -1.96 -3.38 132.00 133.54 1kkp h PRO 213 Ca -0.39 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.86 1kkp h PRO 213 Cb 1.19 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.21 1kkp h PRO 213 CO 0.77 0.00 -0.16 0.28 -0.23 0.00 0.00 178.00 178.66 1kkp h VAL 214 N 0.00 0.41 0.00 1.56 2.07 -1.89 0.33 116.25 118.72 1kkp h VAL 214 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1kkp h VAL 214 Cb 0.68 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1kkp h VAL 214 CO 0.00 0.00 0.00 -0.65 0.02 0.00 0.00 177.57 176.94 1kkp h PRO 215 N -0.01 0.00 0.00 1.57 0.11 -1.92 -3.24 132.00 128.51 1kkp h PRO 215 Ca 0.28 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 66.21 1kkp h PRO 215 Cb 0.43 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.51 1kkp h PRO 215 CO -0.60 0.00 -1.93 0.66 -0.21 0.00 0.00 178.00 175.92 1kkp n TYR 216 N -2.81 0.00 -3.81 0.65 4.01 -0.08 -5.02 117.16 110.10 1kkp n TYR 216 Ca -0.00 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.40 1kkp n TYR 216 Cb 0.20 -0.61 -0.05 0.00 -0.31 0.00 0.00 39.34 38.57 1kkp n TYR 216 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1kkp s ALA 217 N -2.64 3.89 0.15 -0.72 0.00 -0.15 -4.72 121.76 117.57 1kkp s ALA 217 Ca -0.07 -0.66 -0.11 0.00 0.00 0.00 0.00 51.96 51.12 1kkp s ALA 217 Cb 0.07 -1.99 -0.03 0.00 0.00 0.00 0.00 23.12 21.16 1kkp s ALA 217 CO 0.64 0.70 1.48 0.45 0.00 0.00 0.00 175.76 179.04 1kkp h HIS 218 N 3.71 1.12 -3.82 0.00 3.86 -1.38 -3.44 115.15 115.20 1kkp h HIS 218 Ca -0.49 -0.33 -0.44 0.00 -1.16 0.00 0.00 60.37 57.95 1kkp h HIS 218 Cb 1.19 -0.24 -0.31 0.00 1.06 0.00 0.00 27.41 29.11 1kkp h HIS 218 CO 0.66 1.17 -0.79 -0.06 0.86 0.00 0.00 177.93 179.76 1kkp s PHE 219 N -4.40 1.04 -0.14 2.45 0.40 -1.07 -3.99 117.98 112.26 1kkp s PHE 219 Ca -0.11 -0.27 0.02 0.00 -0.60 0.00 0.00 56.93 55.97 1kkp s PHE 219 Cb 0.11 -0.73 0.01 0.00 0.51 0.00 0.00 43.02 42.92 1kkp s PHE 219 CO 0.88 -0.11 -0.18 0.08 0.70 0.00 0.00 175.22 176.59 1kkp s VAL 220 N 0.19 1.79 0.29 -0.44 1.01 0.09 -0.83 120.40 122.50 1kkp s VAL 220 Ca -0.03 -0.80 0.08 0.00 0.00 0.00 0.00 61.98 61.23 1kkp s VAL 220 Cb -0.09 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 1kkp s VAL 220 CO 0.01 0.50 0.13 0.42 0.00 0.00 0.00 175.10 176.15 1kkp s THR 221 N 1.05 3.63 -0.03 3.92 -4.23 0.16 0.07 115.64 120.22 1kkp s THR 221 Ca -0.03 -1.64 -0.30 0.00 -1.18 0.00 0.00 61.69 58.54 1kkp s THR 221 Cb -0.14 -3.08 0.11 0.00 1.34 0.00 0.00 72.50 70.72 1kkp s THR 221 CO -0.05 -0.29 0.99 0.28 -0.54 0.00 0.00 174.62 175.01 1kkp s THR 222 N -2.29 0.00 0.27 3.99 -1.32 -0.66 -0.48 115.64 115.15 1kkp s THR 222 Ca 0.35 -0.09 0.00 0.00 -1.21 0.00 0.00 61.69 60.74 1kkp s THR 222 Cb -0.06 -1.17 -0.04 0.00 -1.51 0.00 0.00 72.50 69.72 1kkp s THR 222 CO 0.23 0.00 0.46 0.42 -2.21 0.00 0.00 174.62 173.52 1kkp s THR 223 N -2.94 5.16 -1.14 5.08 -4.23 -1.26 -1.35 115.64 114.96 1kkp s THR 223 Ca 0.07 -0.46 0.23 0.00 -1.18 0.00 0.00 61.69 60.35 1kkp s THR 223 Cb -0.01 -3.80 -0.12 0.00 1.34 0.00 0.00 72.50 69.91 1kkp s THR 223 CO -0.06 -0.36 1.09 0.35 -0.54 0.00 0.00 174.62 175.10 1kkp n THR 224 N -1.23 0.00 0.84 3.99 -2.24 -0.12 -4.59 114.28 110.92 1kkp n THR 224 Ca -0.05 -0.03 0.12 0.00 -2.27 0.00 0.00 64.05 61.82 1kkp n THR 224 Cb 0.55 0.80 0.24 0.00 -2.10 0.00 0.00 70.33 69.81 1kkp n THR 224 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kkp n HIS 225 N -1.31 0.22 0.00 4.78 1.44 -1.14 -0.09 115.22 119.12 1kkp n HIS 225 Ca 0.05 -0.11 0.00 0.00 -2.01 0.00 0.00 57.72 55.66 1kkp n HIS 225 Cb 0.35 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.46 1kkp n HIS 225 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1kkp n LYS 226 N 1.11 0.00 0.26 -1.40 5.02 -1.26 -4.38 118.16 117.51 1kkp n LYS 226 Ca 0.17 0.00 0.17 0.00 -2.02 0.00 0.00 58.31 56.63 1kkp n LYS 226 Cb 0.53 0.00 0.69 0.00 -0.02 0.00 0.00 35.03 36.24 1kkp n LYS 226 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1kkp h THR 227 N 0.00 0.00 0.00 -0.18 1.35 -1.77 -1.81 112.91 110.50 1kkp h THR 227 Ca 0.00 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 1kkp h THR 227 Cb 0.00 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 1kkp h THR 227 CO 0.00 0.00 0.00 0.25 -0.25 0.00 0.00 175.52 175.52 1kkp h LEU 228 N 0.00 0.00 -0.11 3.87 5.85 -1.86 -3.35 115.31 119.71 1kkp h LEU 228 Ca 0.00 0.00 -0.40 0.00 0.84 0.00 0.00 57.88 58.32 1kkp h LEU 228 Cb 0.45 0.00 0.11 0.00 0.37 0.00 0.00 40.66 41.58 1kkp h LEU 228 CO 0.00 0.00 -0.64 -1.14 -0.34 0.00 0.00 178.44 176.32 1kkp n ARG 229 N -2.59 -6.66 -1.85 1.25 0.63 -0.68 -4.90 116.66 101.87 1kkp n ARG 229 Ca 0.02 0.85 -0.06 0.00 -0.92 0.00 0.00 57.85 57.75 1kkp n ARG 229 Cb 0.30 -5.80 0.01 0.00 0.45 0.00 0.00 32.46 27.41 1kkp n ARG 229 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1kkp n GLY 230 N -1.80 2.64 3.70 5.14 0.00 0.88 -4.68 105.19 111.06 1kkp n GLY 230 Ca -0.04 -2.18 -0.30 0.00 0.00 0.00 0.00 46.02 43.50 1kkp n GLY 230 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1kkp s PRO 231 N -2.55 1.15 -0.09 1.61 0.04 -1.26 -3.96 135.00 129.94 1kkp s PRO 231 Ca 0.09 0.95 -0.30 0.00 0.04 0.00 0.00 61.00 61.78 1kkp s PRO 231 Cb -0.01 -1.79 -0.03 0.00 0.04 0.00 0.00 34.50 32.71 1kkp s PRO 231 CO 0.06 -2.35 1.32 0.50 0.04 0.00 0.00 177.00 176.57 1kkp s ARG 232 N -4.85 4.27 0.00 4.56 3.52 -1.26 -2.90 118.95 122.29 1kkp s ARG 232 Ca 0.64 1.79 0.00 0.00 -0.13 0.00 0.00 55.73 58.03 1kkp s ARG 232 Cb -0.19 -3.70 0.00 0.00 -1.56 0.00 0.00 34.95 29.50 1kkp s ARG 232 CO 0.58 -0.63 0.00 0.41 -0.81 0.00 0.00 175.30 174.85 1kkp n GLY 233 N 3.62 -1.66 3.68 8.12 0.00 -1.26 -4.88 105.19 112.80 1kkp n GLY 233 Ca 0.13 -1.09 -0.31 0.00 0.00 0.00 0.00 46.02 44.75 1kkp n GLY 233 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1kkp s GLY 234 N 0.00 2.97 -0.14 -0.02 0.00 -0.24 -0.94 107.32 108.94 1kkp s GLY 234 Ca 0.00 -0.46 -0.29 0.00 0.00 0.00 0.00 44.72 43.96 1kkp s GLY 234 CO 0.00 -2.06 0.86 -0.29 0.00 0.00 0.00 173.10 171.61 1kkp s MET 235 N -3.80 0.77 -0.04 2.90 0.00 -0.45 -3.98 119.30 114.70 1kkp s MET 235 Ca 0.09 0.31 0.05 0.00 0.00 0.00 0.00 55.69 56.14 1kkp s MET 235 Cb 0.01 0.37 -0.01 0.00 0.00 0.00 0.00 34.83 35.19 1kkp s MET 235 CO 0.06 -0.22 -0.19 0.42 0.00 0.00 0.00 175.02 175.09 1kkp s ILE 236 N -0.86 1.58 0.03 10.11 1.01 -0.59 -1.65 121.20 130.83 1kkp s ILE 236 Ca -0.04 -0.81 0.08 0.00 0.00 0.00 0.00 60.65 59.87 1kkp s ILE 236 Cb -0.01 -1.34 -0.03 0.00 0.01 0.00 0.00 42.46 41.09 1kkp s ILE 236 CO 0.04 0.45 -0.23 -0.76 0.00 0.00 0.00 174.94 174.44 1kkp s LEU 237 N -0.12 2.34 0.14 2.97 1.43 0.11 -0.90 118.68 124.67 1kkp s LEU 237 Ca -0.01 -0.49 -0.25 0.00 -1.03 0.00 0.00 54.13 52.34 1kkp s LEU 237 Cb -0.11 -1.39 0.07 0.00 0.03 0.00 0.00 46.19 44.79 1kkp s LEU 237 CO 0.02 0.27 0.97 0.00 0.23 0.00 0.00 176.35 177.84 1kkp s GLN 239 N -3.24 3.43 0.37 0.00 -0.21 -1.26 -1.44 119.66 117.31 1kkp s GLN 239 Ca 0.12 0.90 0.16 0.00 0.02 0.00 0.00 55.36 56.57 1kkp s GLN 239 Cb -0.01 -2.06 1.05 0.00 1.00 0.00 0.00 33.01 32.99 1kkp s GLN 239 CO 0.02 -0.71 1.75 1.49 -2.12 0.00 0.00 175.29 175.72 1kkp h GLU 240 N -0.13 0.42 0.00 2.91 4.57 -1.95 -0.56 114.58 119.83 1kkp h GLU 240 Ca -0.45 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 57.70 1kkp h GLU 240 Cb 1.20 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 29.69 1kkp h GLU 240 CO 0.60 0.28 -0.02 -0.56 -1.18 0.00 0.00 179.01 178.13 1kkp h GLN 241 N 0.43 0.00 -0.12 1.92 -0.00 -2.00 -2.40 115.11 112.95 1kkp h GLN 241 Ca 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.27 1kkp h GLN 241 Cb 1.48 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.96 1kkp h GLN 241 CO -0.36 0.02 0.00 1.19 -0.00 0.00 0.00 178.83 179.67 1kkp n PHE 242 N -3.45 0.14 -0.05 0.06 3.72 -0.23 -4.74 117.46 112.92 1kkp n PHE 242 Ca -0.03 -0.13 -0.08 0.00 -0.05 0.00 0.00 57.45 57.17 1kkp n PHE 242 Cb 0.11 -0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 38.63 1kkp n PHE 242 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1kkp h ALA 243 N 2.61 -0.09 -0.59 4.37 0.00 -1.34 0.78 119.26 125.01 1kkp h ALA 243 Ca 0.00 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1kkp h ALA 243 Cb 0.62 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1kkp h ALA 243 CO 0.00 -0.64 0.29 -0.22 0.00 0.00 0.00 179.25 178.68 1kkp h LYS 244 N -0.22 0.84 -0.48 0.00 3.64 -1.85 -0.33 116.57 118.15 1kkp h LYS 244 Ca 0.14 -0.12 -0.08 0.00 -1.27 0.00 0.00 60.65 59.32 1kkp h LYS 244 Cb 0.43 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 1kkp h LYS 244 CO -0.38 0.67 -0.01 1.96 -2.27 0.00 0.00 179.45 179.42 1kkp h GLN 245 N 0.79 0.86 -0.55 1.90 4.20 -1.78 -0.70 115.11 119.83 1kkp h GLN 245 Ca 0.20 -0.28 -0.06 0.00 0.06 0.00 0.00 58.65 58.57 1kkp h GLN 245 Cb 0.10 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 1kkp h GLN 245 CO -0.03 0.91 0.11 0.82 -0.67 0.00 0.00 178.83 179.97 1kkp h ILE 246 N 0.72 1.25 -0.62 2.54 1.08 -0.70 -0.10 117.51 121.68 1kkp h ILE 246 Ca 0.14 -0.93 -0.06 0.00 -0.39 0.00 0.00 64.86 63.61 1kkp h ILE 246 Cb 0.52 0.79 -0.03 0.00 -3.07 0.00 0.00 36.82 35.04 1kkp h ILE 246 CO 0.03 0.34 0.14 0.44 -0.69 0.00 0.00 178.15 178.40 1kkp h ASP 247 N 0.80 0.92 0.24 1.72 3.32 -0.89 -2.07 116.42 120.46 1kkp h ASP 247 Ca 0.17 -0.19 -0.13 0.00 0.02 0.00 0.00 57.03 56.90 1kkp h ASP 247 Cb 0.38 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 1kkp h ASP 247 CO 0.01 0.90 -0.50 0.11 -1.72 0.00 0.00 179.24 178.03 1kkp h LYS 248 N 0.93 0.30 -0.57 3.56 1.57 -0.89 -0.70 116.57 120.77 1kkp h LYS 248 Ca 0.20 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1kkp h LYS 248 Cb 0.35 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 1kkp h LYS 248 CO 0.00 0.73 0.31 0.00 -0.57 0.00 0.00 179.45 179.93 1kkp h ALA 249 N 1.24 0.73 -0.16 3.86 0.00 -0.44 -0.82 119.26 123.66 1kkp h ALA 249 Ca 0.01 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1kkp h ALA 249 Cb 0.97 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1kkp h ALA 249 CO 0.08 0.26 -0.07 0.82 0.00 0.00 0.00 179.25 180.34 1kkp h ILE 250 N 0.77 1.31 -1.94 0.00 1.08 -1.21 0.18 117.51 117.70 1kkp h ILE 250 Ca 0.20 -1.10 -0.24 0.00 -0.39 0.00 0.00 64.86 63.33 1kkp h ILE 250 Cb 0.05 1.70 -0.31 0.00 -3.07 0.00 0.00 36.82 35.19 1kkp h ILE 250 CO -0.03 0.33 -0.56 0.12 -0.69 0.00 0.00 178.15 177.31 1kkp s PHE 251 N -4.60 -0.74 -1.35 1.37 5.36 -0.28 -1.04 117.98 116.69 1kkp s PHE 251 Ca -0.14 0.26 0.13 0.00 -0.96 0.00 0.00 56.93 56.22 1kkp s PHE 251 Cb 0.06 -0.24 0.26 0.00 -0.34 0.00 0.00 43.02 42.76 1kkp s PHE 251 CO 0.74 -0.89 1.15 -0.35 -1.46 0.00 0.00 175.22 174.42 1kkp n PRO 252 N 5.34 2.04 0.00 10.12 -0.04 -0.97 -4.01 135.00 147.48 1kkp n PRO 252 Ca -0.02 -1.81 0.00 0.00 -0.04 0.00 0.00 63.50 61.63 1kkp n PRO 252 Cb 0.48 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.65 1kkp n PRO 252 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1kkp n GLY 253 N 0.74 -2.46 0.00 0.55 0.00 -0.35 -4.65 105.19 99.01 1kkp n GLY 253 Ca 0.12 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.15 1kkp n GLY 253 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1kkp n ILE 254 N -1.82 0.00 -4.65 -0.61 -5.35 0.64 -4.98 119.36 102.59 1kkp n ILE 254 Ca 0.00 -0.34 -0.30 0.00 -0.27 0.00 0.00 62.75 61.84 1kkp n ILE 254 Cb 0.00 0.87 -0.07 0.00 -1.74 0.00 0.00 39.64 38.70 1kkp n ILE 254 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1kkp s GLN 255 N -1.53 2.10 0.00 6.28 -0.21 -0.21 -5.05 119.66 121.05 1kkp s GLN 255 Ca 0.01 -2.33 0.00 0.00 0.02 0.00 0.00 55.36 53.06 1kkp s GLN 255 Cb 0.03 -1.01 0.00 0.00 1.00 0.00 0.00 33.01 33.03 1kkp s GLN 255 CO 0.15 -0.48 0.00 0.41 -2.12 0.00 0.00 175.29 173.25 1kkp n GLY 256 N -1.12 1.82 3.76 3.09 0.00 -1.26 -4.67 105.19 106.80 1kkp n GLY 256 Ca -0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 1kkp n GLY 256 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1kkp s GLY 257 N 0.00 2.82 0.68 -0.02 0.00 -1.26 -4.76 107.32 104.78 1kkp s GLY 257 Ca 0.00 1.16 -0.11 0.00 0.00 0.00 0.00 44.72 45.76 1kkp s GLY 257 CO 0.00 1.90 1.06 2.56 0.00 0.00 0.00 173.10 178.62 1kkp s PRO 258 N -1.18 3.12 -0.94 2.90 0.04 -1.26 -4.99 135.00 132.68 1kkp s PRO 258 Ca 0.51 0.70 -0.18 0.00 0.04 0.00 0.00 61.00 62.06 1kkp s PRO 258 Cb -0.38 -2.03 0.13 0.00 0.04 0.00 0.00 34.50 32.27 1kkp s PRO 258 CO 0.46 -0.90 1.14 -0.51 0.04 0.00 0.00 177.00 177.23 1kkp s LEU 259 N -5.36 5.07 0.36 -3.56 1.43 -1.26 -4.78 118.68 110.58 1kkp s LEU 259 Ca 0.57 -2.11 0.04 0.00 -1.03 0.00 0.00 54.13 51.60 1kkp s LEU 259 Cb -0.12 -2.40 0.69 0.00 0.03 0.00 0.00 46.19 44.40 1kkp s LEU 259 CO 0.54 -1.04 2.00 0.24 0.23 0.00 0.00 176.35 178.32 1kkp h MET 260 N 8.73 0.69 -0.68 1.70 2.86 -1.86 -0.19 114.93 126.19 1kkp h MET 260 Ca 0.17 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.69 1kkp h MET 260 Cb 1.02 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.50 1kkp h MET 260 CO 1.11 0.50 0.20 1.12 1.06 0.00 0.00 176.91 180.90 1kkp h HIS 261 N 0.70 1.07 -0.17 -0.22 -0.00 -1.86 -0.50 115.15 114.18 1kkp h HIS 261 Ca 0.18 -0.10 -0.16 0.00 -0.00 0.00 0.00 60.37 60.29 1kkp h HIS 261 Cb -0.01 -0.31 -0.01 0.00 -0.00 0.00 0.00 27.41 27.08 1kkp h HIS 261 CO 0.00 0.86 -0.56 0.28 -0.00 0.00 0.00 177.93 178.51 1kkp h VAL 262 N 1.00 1.33 -0.68 6.12 2.07 -1.62 -2.10 116.25 122.37 1kkp h VAL 262 Ca 0.22 -1.82 -0.05 0.00 0.82 0.00 0.00 66.70 65.87 1kkp h VAL 262 Cb 0.30 1.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 1kkp h VAL 262 CO -0.01 0.56 0.23 0.40 0.02 0.00 0.00 177.57 178.78 1kkp h ILE 263 N 0.41 1.24 -0.66 4.57 2.04 -0.67 0.13 117.51 124.56 1kkp h ILE 263 Ca 0.01 -0.82 0.03 0.00 1.00 0.00 0.00 64.86 65.08 1kkp h ILE 263 Cb 1.10 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 37.61 1kkp h ILE 263 CO 0.10 0.32 0.40 0.00 0.00 0.00 0.00 178.15 178.98 1kkp h ALA 264 N 1.25 0.87 -0.22 1.87 0.00 -0.95 -0.46 119.26 121.61 1kkp h ALA 264 Ca 0.23 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1kkp h ALA 264 Cb 0.25 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1kkp h ALA 264 CO -0.01 0.15 -0.19 0.00 0.00 0.00 0.00 179.25 179.20 1kkp h ALA 265 N 1.30 1.28 -0.40 0.00 0.00 -0.59 -1.74 119.26 119.11 1kkp h ALA 265 Ca 0.27 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1kkp h ALA 265 Cb 0.05 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1kkp h ALA 265 CO -0.12 0.48 0.17 0.87 0.00 0.00 0.00 179.25 180.65 1kkp h LYS 266 N 0.35 0.58 -0.50 0.00 1.57 -0.08 -1.12 116.57 117.37 1kkp h LYS 266 Ca 0.06 -0.10 0.05 0.00 -1.87 0.00 0.00 60.65 58.79 1kkp h LYS 266 Cb 0.53 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.70 1kkp h LYS 266 CO 0.03 0.54 0.23 0.00 -0.57 0.00 0.00 179.45 179.68 1kkp h ALA 267 N 1.02 0.63 -0.23 3.86 0.00 -0.71 0.12 119.26 123.95 1kkp h ALA 267 Ca 0.13 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1kkp h ALA 267 Cb 0.16 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1kkp h ALA 267 CO -0.01 -0.13 0.10 0.28 0.00 0.00 0.00 179.25 179.49 1kkp h VAL 268 N 0.46 0.98 -0.57 0.00 2.07 -1.03 0.09 116.25 118.24 1kkp h VAL 268 Ca 0.22 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.64 1kkp h VAL 268 Cb 0.16 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 1kkp h VAL 268 CO -0.17 0.04 0.23 0.00 0.02 0.00 0.00 177.57 177.69 1kkp h ALA 269 N 1.12 1.33 -0.44 1.67 0.00 -0.73 -0.32 119.26 121.89 1kkp h ALA 269 Ca 0.09 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 1kkp h ALA 269 Cb 0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1kkp h ALA 269 CO -0.07 0.50 -0.22 0.74 0.00 0.00 0.00 179.25 180.20 1kkp h PHE 270 N 0.82 1.02 -0.69 0.00 0.05 -0.38 -0.84 116.94 116.91 1kkp h PHE 270 Ca 0.20 -0.24 -0.01 0.00 3.82 0.00 0.00 57.97 61.74 1kkp h PHE 270 Cb 0.16 -0.24 -0.03 0.00 2.00 0.00 0.00 35.95 37.83 1kkp h PHE 270 CO 0.01 1.02 0.40 0.78 -0.18 0.00 0.00 178.31 180.34 1kkp h GLY 271 N 0.92 1.03 1.07 -1.45 0.00 -0.30 -1.71 103.07 102.62 1kkp h GLY 271 Ca 0.10 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 1kkp h GLY 271 CO 0.06 0.43 0.49 0.83 0.00 0.00 0.00 176.54 178.36 1kkp h GLU 272 N 0.95 1.22 0.00 4.80 5.08 -0.71 -2.74 114.58 123.18 1kkp h GLU 272 Ca 0.25 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 1kkp h GLU 272 Cb 0.01 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 1kkp h GLU 272 CO -0.04 0.88 -0.21 0.00 -1.00 0.00 0.00 179.01 178.65 1kkp h ALA 273 N 1.31 1.08 0.00 3.43 0.00 -0.53 -2.35 119.26 122.20 1kkp h ALA 273 Ca 0.31 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1kkp h ALA 273 Cb 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1kkp h ALA 273 CO -0.05 0.26 0.00 -0.07 0.00 0.00 0.00 179.25 179.39 1kkp h LEU 274 N 0.00 0.00-10.16 0.00 3.38 -1.01 -3.43 115.31 104.09 1kkp h LEU 274 Ca -0.00 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.50 1kkp h LEU 274 Cb 0.65 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.42 1kkp h LEU 274 CO 0.03 0.00 0.37 -1.10 0.09 0.00 0.00 178.44 177.83 1kkp s GLN 275 N -3.22 3.93 0.41 1.13 -0.21 -0.88 -4.96 119.66 115.87 1kkp s GLN 275 Ca 0.07 1.04 0.08 0.00 0.02 0.00 0.00 55.36 56.57 1kkp s GLN 275 Cb 0.11 -2.13 0.88 0.00 1.00 0.00 0.00 33.01 32.86 1kkp s GLN 275 CO 0.51 -0.29 2.06 -0.44 -2.12 0.00 0.00 175.29 175.02 1kkp h ASP 276 N 1.12 0.45 0.72 5.90 3.32 -1.88 -2.11 116.42 123.95 1kkp h ASP 276 Ca -0.47 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 56.50 1kkp h ASP 276 Cb 1.19 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.62 1kkp h ASP 276 CO 0.61 0.33 -0.30 -2.24 -1.72 0.00 0.00 179.24 175.92 1kkp h ASP 277 N 0.53 0.00 -0.45 6.45 3.04 -1.93 -2.17 116.42 121.90 1kkp h ASP 277 Ca 0.15 0.00 -0.10 0.00 -3.24 0.00 0.00 57.03 53.84 1kkp h ASP 277 Cb -0.04 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.23 1kkp h ASP 277 CO -0.03 0.30 -0.08 0.15 -2.04 0.00 0.00 179.24 177.54 1kkp h PHE 278 N 0.00 1.00 -0.67 4.15 3.57 -1.58 0.35 116.94 123.75 1kkp h PHE 278 Ca -0.00 -0.18 -0.04 0.00 3.53 0.00 0.00 57.97 61.27 1kkp h PHE 278 Cb 0.74 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.19 1kkp h PHE 278 CO 0.00 0.94 0.26 0.87 -2.23 0.00 0.00 178.31 178.14 1kkp h LYS 279 N 0.82 1.01 -0.43 1.11 1.57 -1.40 0.55 116.57 119.80 1kkp h LYS 279 Ca 0.14 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1kkp h LYS 279 Cb 0.60 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 1kkp h LYS 279 CO 0.04 0.85 0.18 0.00 -0.57 0.00 0.00 179.45 179.95 1kkp h ALA 280 N 1.11 0.55 0.03 3.86 0.00 -1.21 -1.86 119.26 121.75 1kkp h ALA 280 Ca 0.22 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1kkp h ALA 280 Cb 0.22 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1kkp h ALA 280 CO -0.02 0.14 -0.27 -0.92 0.00 0.00 0.00 179.25 178.18 1kkp h TYR 281 N 0.55 -0.74 -0.99 0.00 3.20 -0.63 -2.18 116.97 116.18 1kkp h TYR 281 Ca 0.14 0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.10 1kkp h TYR 281 Cb 0.17 0.32 -0.07 0.00 1.54 0.00 0.00 36.73 38.69 1kkp h TYR 281 CO -0.00 -0.37 0.64 0.00 -1.64 0.00 0.00 178.16 176.79 1kkp h ALA 282 N 0.34 1.36 -0.75 1.82 0.00 -0.66 -0.92 119.26 120.46 1kkp h ALA 282 Ca 0.05 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1kkp h ALA 282 Cb 0.50 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1kkp h ALA 282 CO -0.21 0.44 0.46 -0.22 0.00 0.00 0.00 179.25 179.71 1kkp h LYS 283 N 1.16 1.01 -0.27 0.00 3.64 -1.11 -2.17 116.57 118.85 1kkp h LYS 283 Ca 0.42 -0.09 -0.05 0.00 -1.27 0.00 0.00 60.65 59.66 1kkp h LYS 283 Cb 0.15 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 1kkp h LYS 283 CO -0.17 0.71 -0.07 0.00 -2.27 0.00 0.00 179.45 177.65 1kkp h ARG 284 N 1.02 0.42 0.06 1.90 3.08 -0.68 0.24 114.38 120.43 1kkp h ARG 284 Ca 0.27 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 1kkp h ARG 284 Cb -0.05 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 29.94 1kkp h ARG 284 CO -0.05 0.50 -0.03 0.28 -1.07 0.00 0.00 179.97 179.60 1kkp h VAL 285 N 0.40 0.94 -0.34 2.04 2.07 -0.60 0.87 116.25 121.64 1kkp h VAL 285 Ca 0.08 -0.02 -0.09 0.00 0.82 0.00 0.00 66.70 67.49 1kkp h VAL 285 Cb 0.37 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1kkp h VAL 285 CO 0.02 0.01 -0.15 0.58 0.02 0.00 0.00 177.57 178.04 1kkp h VAL 286 N -0.10 1.29 -0.49 2.57 2.07 -1.05 -1.10 116.25 119.45 1kkp h VAL 286 Ca -0.01 -1.25 0.02 0.00 0.82 0.00 0.00 66.70 66.28 1kkp h VAL 286 Cb 0.08 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 1kkp h VAL 286 CO 0.01 0.41 0.30 0.44 0.02 0.00 0.00 177.57 178.75 1kkp h ASP 287 N 0.47 0.49 -0.59 0.57 3.45 -0.48 -0.92 116.42 119.42 1kkp h ASP 287 Ca 0.08 0.00 -0.06 0.00 0.43 0.00 0.00 57.03 57.48 1kkp h ASP 287 Cb 0.68 -0.10 -0.03 0.00 -0.56 0.00 0.00 39.33 39.32 1kkp h ASP 287 CO 0.05 0.35 0.16 0.78 -1.57 0.00 0.00 179.24 179.01 1kkp h ASN 288 N 0.59 0.91 -0.42 6.45 2.35 -0.69 -1.06 115.58 123.72 1kkp h ASN 288 Ca 0.19 -0.17 -0.06 0.00 -0.55 0.00 0.00 56.30 55.71 1kkp h ASN 288 Cb -0.00 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.12 1kkp h ASN 288 CO -0.08 0.87 0.01 0.00 -1.65 0.00 0.00 177.43 176.59 1kkp h ALA 289 N 1.25 0.56 -0.50 -0.83 0.00 -0.82 0.19 119.26 119.11 1kkp h ALA 289 Ca 0.20 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1kkp h ALA 289 Cb 0.31 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1kkp h ALA 289 CO -0.00 0.34 0.24 0.87 0.00 0.00 0.00 179.25 180.69 1kkp h LYS 290 N 0.57 0.72 -0.08 0.00 6.56 -0.91 -0.30 116.57 123.13 1kkp h LYS 290 Ca 0.12 -0.11 -0.01 0.00 -1.06 0.00 0.00 60.65 59.60 1kkp h LYS 290 Cb 0.46 -0.13 -0.00 0.00 -0.57 0.00 0.00 32.23 31.99 1kkp h LYS 290 CO 0.02 0.60 0.03 -0.09 -2.06 0.00 0.00 179.45 177.94 1kkp h ARG 291 N 0.66 0.12 -0.68 3.15 9.65 -1.07 -0.10 114.38 126.11 1kkp h ARG 291 Ca 0.17 -0.03 0.06 0.00 -1.10 0.00 0.00 59.98 59.09 1kkp h ARG 291 Cb 0.12 -0.02 -0.06 0.00 -1.39 0.00 0.00 29.97 28.62 1kkp h ARG 291 CO -0.02 0.27 0.38 1.25 2.80 0.00 0.00 179.97 184.65 1kkp h LEU 292 N -0.05 0.57 0.27 3.80 5.85 -0.53 0.21 115.31 125.42 1kkp h LEU 292 Ca 0.03 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 1kkp h LEU 292 Cb 0.20 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 1kkp h LEU 292 CO -0.00 0.36 -0.17 0.00 -0.34 0.00 0.00 178.44 178.30 1kkp h ALA 293 N 1.35 -0.41 -0.47 1.25 0.00 -0.82 0.29 119.26 120.46 1kkp h ALA 293 Ca 0.31 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.18 1kkp h ALA 293 Cb 0.19 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1kkp h ALA 293 CO -0.18 -0.74 0.24 1.03 0.00 0.00 0.00 179.25 179.59 1kkp h SER 294 N -0.42 0.34 -0.53 0.00 0.87 -0.60 -1.07 113.55 112.14 1kkp h SER 294 Ca -0.03 0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 1kkp h SER 294 Cb 0.35 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.24 1kkp h SER 294 CO 0.03 0.24 0.20 0.00 -0.53 0.00 0.00 176.83 176.77 1kkp h ALA 295 N 1.25 1.28 -0.39 6.23 0.00 -0.42 -0.79 119.26 126.43 1kkp h ALA 295 Ca 0.21 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 1kkp h ALA 295 Cb 0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1kkp h ALA 295 CO -0.14 0.52 -0.28 -0.07 0.00 0.00 0.00 179.25 179.28 1kkp h LEU 296 N 0.83 0.87 -1.10 0.00 3.38 -0.48 -2.10 115.31 116.71 1kkp h LEU 296 Ca 0.19 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 1kkp h LEU 296 Cb 0.20 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1kkp h LEU 296 CO -0.01 1.09 0.28 1.56 0.09 0.00 0.00 178.44 181.44 1kkp h GLN 297 N 0.71 0.92 -0.22 1.13 4.20 -0.89 -1.46 115.11 119.50 1kkp h GLN 297 Ca 0.08 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 1kkp h GLN 297 Cb 0.83 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 1kkp h GLN 297 CO 0.07 0.73 0.07 -0.97 -0.67 0.00 0.00 178.83 178.06 1kkp h ASN 298 N 0.91 0.27 0.73 1.46 -0.73 -0.73 -1.13 115.58 116.36 1kkp h ASN 298 Ca 0.22 -0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.37 1kkp h ASN 298 Cb 0.14 -0.07 0.00 0.00 0.27 0.00 0.00 38.32 38.66 1kkp h ASN 298 CO -0.02 0.26 0.00 -0.62 -0.37 0.00 0.00 177.43 176.68 1kkp n GLU 299 N -4.43 0.13 0.00 6.67 -0.58 -0.64 -4.90 120.64 116.89 1kkp n GLU 299 Ca 0.00 0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 1kkp n GLU 299 Cb 0.13 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.50 1kkp n GLU 299 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1kkp n GLY 300 N 1.02 1.01 3.83 0.62 0.00 -0.43 -5.01 105.19 106.24 1kkp n GLY 300 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1kkp n GLY 300 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1kkp s PHE 301 N -2.00 3.40 -0.15 1.61 0.08 -0.68 -4.99 117.98 115.25 1kkp s PHE 301 Ca 0.00 1.38 -0.13 0.00 0.12 0.00 0.00 56.93 58.30 1kkp s PHE 301 Cb 0.00 -2.65 -0.05 0.00 -0.57 0.00 0.00 43.02 39.75 1kkp s PHE 301 CO 0.00 0.07 0.27 0.99 -0.10 0.00 0.00 175.22 176.44 1kkp s THR 302 N -1.97 5.31 -0.12 0.64 2.01 -1.26 -4.16 115.64 116.10 1kkp s THR 302 Ca 0.55 0.49 -0.02 0.00 0.31 0.00 0.00 61.69 63.02 1kkp s THR 302 Cb -0.11 -3.60 -0.03 0.00 0.01 0.00 0.00 72.50 68.78 1kkp s THR 302 CO 0.17 0.43 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.74 1kkp s LEU 303 N 0.17 3.35 0.24 4.42 1.43 -1.26 -0.96 118.68 126.07 1kkp s LEU 303 Ca 0.16 -0.01 -0.31 0.00 -1.03 0.00 0.00 54.13 52.93 1kkp s LEU 303 Cb -0.13 -1.78 -0.12 0.00 0.03 0.00 0.00 46.19 44.20 1kkp s LEU 303 CO 0.04 0.28 1.67 -0.69 0.23 0.00 0.00 176.35 177.87 1kkp s VAL 304 N -0.28 2.04 0.00 -1.59 1.01 0.93 -0.88 120.40 121.63 1kkp s VAL 304 Ca 0.05 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.06 1kkp s VAL 304 Cb -0.12 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.23 1kkp s VAL 304 CO 0.02 0.00 0.00 -1.54 0.00 0.00 0.00 175.10 173.59 1kkp n SER 305 N 3.21 -0.97 0.00 3.32 3.41 -1.26 -3.66 113.62 117.68 1kkp n SER 305 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 1kkp n SER 305 Cb 0.36 -1.13 0.00 0.00 -0.26 0.00 0.00 64.21 63.19 1kkp n SER 305 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1kkp n GLY 306 N -1.87 0.48 0.00 5.00 0.00 -0.06 -4.87 105.19 103.87 1kkp n GLY 306 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1kkp n GLY 306 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kkp n GLY 307 N -2.99 -0.06 3.48 -0.02 0.00 -1.24 -4.93 105.19 99.43 1kkp n GLY 307 Ca 0.00 -0.99 -0.17 0.00 0.00 0.00 0.00 46.02 44.86 1kkp n GLY 307 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1kkp s THR 308 N -4.00 0.01 -0.96 2.61 -1.32 -1.26 -4.83 115.64 105.89 1kkp s THR 308 Ca 0.00 -0.05 0.08 0.00 -1.21 0.00 0.00 61.69 60.51 1kkp s THR 308 Cb 0.00 -0.98 0.08 0.00 -1.51 0.00 0.00 72.50 70.10 1kkp s THR 308 CO 0.00 -0.03 0.81 0.47 -2.21 0.00 0.00 174.62 173.66 1kkp n ASP 309 N 0.71 1.80 0.00 8.08 10.43 0.81 -4.81 116.55 133.58 1kkp n ASP 309 Ca -0.19 -1.42 0.00 0.00 2.57 0.00 0.00 54.79 55.75 1kkp n ASP 309 Cb 0.58 -0.02 0.00 0.00 1.84 0.00 0.00 41.12 43.52 1kkp n ASP 309 CO 0.00 0.00 0.00 -0.46 -1.07 0.00 0.00 177.20 175.67 1kkp n ASN 310 N 0.42 0.00 -0.04 -2.24 0.23 -1.25 -4.82 115.26 107.57 1kkp n ASN 310 Ca 0.05 0.00 0.12 0.00 -0.53 0.00 0.00 54.58 54.22 1kkp n ASN 310 Cb 0.22 0.00 0.24 0.00 -2.08 0.00 0.00 39.78 38.17 1kkp n ASN 310 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1kkp n HIS 311 N 0.00 0.00 -4.30 -2.53 1.44 -1.26 -4.48 115.22 104.09 1kkp n HIS 311 Ca 0.00 0.00 -0.18 0.00 -2.01 0.00 0.00 57.72 55.53 1kkp n HIS 311 Cb 0.00 -0.22 -0.10 0.00 0.12 0.00 0.00 29.99 29.79 1kkp n HIS 311 CO 0.00 0.00 0.00 -0.48 -2.81 0.00 0.00 176.34 173.05 1kkp s LEU 312 N -2.93 2.50 0.05 2.39 0.05 -1.26 -1.74 118.68 117.74 1kkp s LEU 312 Ca 0.13 -0.95 -0.04 0.00 0.05 0.00 0.00 54.13 53.31 1kkp s LEU 312 Cb 0.18 -0.58 -0.02 0.00 -2.05 0.00 0.00 46.19 43.71 1kkp s LEU 312 CO 0.69 -0.19 0.07 -1.48 -0.55 0.00 0.00 176.35 174.89 1kkp s LEU 313 N -3.02 1.96 -0.11 1.48 0.05 0.09 -4.57 118.68 114.56 1kkp s LEU 313 Ca 0.17 -0.69 0.02 0.00 0.05 0.00 0.00 54.13 53.68 1kkp s LEU 313 Cb -0.01 0.53 0.01 0.00 -2.05 0.00 0.00 46.19 44.67 1kkp s LEU 313 CO 0.04 -0.56 -0.16 -0.76 -0.55 0.00 0.00 176.35 174.36 1kkp s LEU 314 N -2.45 1.75 -0.16 1.48 1.43 -1.26 -1.29 118.68 118.18 1kkp s LEU 314 Ca -0.00 -0.45 -0.16 0.00 -1.03 0.00 0.00 54.13 52.49 1kkp s LEU 314 Cb 0.02 -1.13 -0.04 0.00 0.03 0.00 0.00 46.19 45.07 1kkp s LEU 314 CO -0.07 0.02 0.38 -0.69 0.23 0.00 0.00 176.35 176.21 1kkp s VAL 315 N 1.01 5.24 -0.50 -1.59 1.01 -0.35 -0.05 120.40 125.17 1kkp s VAL 315 Ca -0.06 0.71 -0.21 0.00 0.00 0.00 0.00 61.98 62.43 1kkp s VAL 315 Cb -0.15 -3.71 0.04 0.00 0.00 0.00 0.00 36.38 32.56 1kkp s VAL 315 CO -0.02 0.33 0.70 -0.62 0.00 0.00 0.00 175.10 175.49 1kkp s ASP 316 N 0.68 6.28 0.00 3.32 2.15 -0.14 -2.46 116.67 126.51 1kkp s ASP 316 Ca 0.20 -0.62 0.23 0.00 0.43 0.00 0.00 52.55 52.79 1kkp s ASP 316 Cb -0.14 -2.33 1.05 0.00 -0.30 0.00 0.00 42.92 41.20 1kkp s ASP 316 CO 0.07 -0.93 1.72 0.18 -0.17 0.00 0.00 175.17 176.03 1kkp n LEU 317 N 6.48 0.97 -0.20 -1.34 4.77 -0.22 -4.16 117.00 123.29 1kkp n LEU 317 Ca -0.03 -0.38 0.01 0.00 -0.03 0.00 0.00 56.01 55.57 1kkp n LEU 317 Cb 0.47 -0.04 0.11 0.00 -2.33 0.00 0.00 43.42 41.63 1kkp n LEU 317 CO 0.56 0.19 0.95 0.03 -1.33 0.00 0.00 177.39 177.79 1kkp h ARG 318 N 1.35 0.31 -0.79 3.23 3.08 -1.73 -0.05 114.38 119.78 1kkp h ARG 318 Ca 0.00 -0.02 0.20 0.00 0.07 0.00 0.00 59.98 60.23 1kkp h ARG 318 Cb 0.29 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.23 1kkp h ARG 318 CO 0.00 0.20 0.55 -1.35 -1.07 0.00 0.00 179.97 178.30 1kkp h PRO 319 N 0.32 0.16 -0.22 0.04 0.11 -1.93 0.70 132.00 131.17 1kkp h PRO 319 Ca 0.32 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.42 1kkp h PRO 319 Cb 0.45 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.52 1kkp h PRO 319 CO -0.37 0.11 0.00 1.04 -0.21 0.00 0.00 178.00 178.57 1kkp n GLN 320 N -4.39 1.89 -3.52 1.05 3.00 -0.07 -4.95 117.38 110.40 1kkp n GLN 320 Ca 0.16 -1.34 -0.26 0.00 -0.01 0.00 0.00 57.00 55.55 1kkp n GLN 320 Cb 0.74 -1.41 0.04 0.00 0.00 0.00 0.00 30.24 29.61 1kkp n GLN 320 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1kkp n GLN 321 N 0.57 -5.69 -4.38 -1.09 1.13 0.25 -4.99 117.38 103.18 1kkp n GLN 321 Ca 0.16 0.72 -0.28 0.00 -1.94 0.00 0.00 57.00 55.66 1kkp n GLN 321 Cb 0.38 -5.62 -0.13 0.00 0.11 0.00 0.00 30.24 24.98 1kkp n GLN 321 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1kkp s LEU 322 N -7.02 2.33 0.39 1.08 1.43 -1.13 -5.04 118.68 110.72 1kkp s LEU 322 Ca 0.52 -0.75 -0.00 0.00 -1.03 0.00 0.00 54.13 52.86 1kkp s LEU 322 Cb -0.25 -1.16 -0.02 0.00 0.03 0.00 0.00 46.19 44.79 1kkp s LEU 322 CO 0.64 0.15 0.61 0.42 0.23 0.00 0.00 176.35 178.40 1kkp s THR 323 N -1.14 4.71 0.32 5.49 -4.23 -1.26 -4.19 115.64 115.35 1kkp s THR 323 Ca 0.13 -0.42 0.02 0.00 -1.18 0.00 0.00 61.69 60.24 1kkp s THR 323 Cb -0.10 -3.73 0.19 0.00 1.34 0.00 0.00 72.50 70.20 1kkp s THR 323 CO 0.06 -0.51 1.90 1.23 -0.54 0.00 0.00 174.62 176.76 1kkp h GLY 324 N 0.59 0.75 1.00 3.99 0.00 -0.97 -2.50 103.07 105.92 1kkp h GLY 324 Ca -0.48 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.46 1kkp h GLY 324 CO 0.60 0.37 0.23 1.70 0.00 0.00 0.00 176.54 179.44 1kkp h LYS 325 N 0.69 0.48 -0.06 4.80 3.64 -1.48 0.90 116.57 125.54 1kkp h LYS 325 Ca 0.16 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1kkp h LYS 325 Cb 0.20 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1kkp h LYS 325 CO -0.01 0.33 0.03 1.15 -2.27 0.00 0.00 179.45 178.68 1kkp h THR 326 N 0.49 1.09 -0.51 1.00 2.02 -1.79 -1.86 112.91 113.34 1kkp h THR 326 Ca 0.13 -0.26 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 1kkp h THR 326 Cb -0.04 1.16 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 1kkp h THR 326 CO -0.03 0.08 0.32 0.00 0.37 0.00 0.00 175.52 176.26 1kkp h ALA 327 N 0.93 0.66 -0.60 6.16 0.00 -1.28 -1.65 119.26 123.47 1kkp h ALA 327 Ca 0.02 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1kkp h ALA 327 Cb 0.10 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1kkp h ALA 327 CO -0.00 0.13 0.35 1.49 0.00 0.00 0.00 179.25 181.21 1kkp h GLU 328 N 0.69 0.65 -0.30 0.00 4.81 -0.73 -0.58 114.58 119.12 1kkp h GLU 328 Ca 0.19 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 1kkp h GLU 328 Cb -0.03 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 1kkp h GLU 328 CO -0.04 0.43 0.10 -0.22 -0.73 0.00 0.00 179.01 178.55 1kkp h LYS 329 N 0.67 0.46 -0.07 1.92 3.64 -0.98 -1.23 116.57 120.99 1kkp h LYS 329 Ca 0.25 -0.10 -0.16 0.00 -1.27 0.00 0.00 60.65 59.38 1kkp h LYS 329 Cb 0.09 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1kkp h LYS 329 CO -0.13 0.51 -0.66 -0.24 -2.27 0.00 0.00 179.45 176.65 1kkp h VAL 330 N 0.33 1.40 -0.32 2.00 3.04 -1.20 -2.58 116.25 118.91 1kkp h VAL 330 Ca 0.10 -2.09 -0.09 0.00 -1.01 0.00 0.00 66.70 63.61 1kkp h VAL 330 Cb 0.23 2.07 -0.02 0.00 -2.01 0.00 0.00 31.29 31.57 1kkp h VAL 330 CO -0.00 0.62 -0.19 -0.07 -1.01 0.00 0.00 177.57 176.91 1kkp h LEU 331 N 0.20 0.59 -1.47 3.16 3.38 -1.02 -1.85 115.31 118.29 1kkp h LEU 331 Ca -0.01 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.79 1kkp h LEU 331 Cb 1.20 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 1kkp h LEU 331 CO 0.11 0.79 0.37 -0.78 0.09 0.00 0.00 178.44 179.02 1kkp h ASP 332 N 0.53 0.60 0.25 -0.43 3.58 -0.94 -1.45 116.42 118.57 1kkp h ASP 332 Ca 0.08 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.50 1kkp h ASP 332 Cb 0.63 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 41.53 1kkp h ASP 332 CO 0.04 0.43 -0.09 -0.33 -2.88 0.00 0.00 179.24 176.41 1kkp h GLU 333 N 0.71 0.00 -0.02 0.28 5.08 -0.95 -2.54 114.58 117.14 1kkp h GLU 333 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1kkp h GLU 333 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1kkp h GLU 333 CO -0.05 0.09 -0.14 1.33 -1.00 0.00 0.00 179.01 179.23 1kkp n VAL 334 N -3.73 0.00 -0.04 3.13 0.24 -0.62 -4.97 118.33 112.35 1kkp n VAL 334 Ca -0.02 -0.43 0.00 0.00 -2.04 0.00 0.00 64.34 61.85 1kkp n VAL 334 Cb 0.19 1.34 0.00 0.00 -1.47 0.00 0.00 33.84 33.91 1kkp n VAL 334 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1kkp n GLY 335 N 1.17 0.98 3.32 7.63 0.00 -0.94 -4.36 105.19 112.99 1kkp n GLY 335 Ca 0.10 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 1kkp n GLY 335 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kkp s ILE 336 N -2.00 3.37 -0.34 -0.61 1.01 -0.77 -0.88 121.20 120.97 1kkp s ILE 336 Ca 0.00 -0.50 -0.14 0.00 0.00 0.00 0.00 60.65 60.01 1kkp s ILE 336 Cb 0.00 -2.53 -0.01 0.00 0.01 0.00 0.00 42.46 39.93 1kkp s ILE 336 CO 0.00 0.43 0.31 -0.89 0.00 0.00 0.00 174.94 174.79 1kkp s THR 337 N 1.41 5.22 0.35 2.92 2.01 -0.45 -3.11 115.64 124.00 1kkp s THR 337 Ca 0.05 -0.08 0.04 0.00 0.31 0.00 0.00 61.69 62.01 1kkp s THR 337 Cb -0.14 -3.78 -0.03 0.00 0.01 0.00 0.00 72.50 68.55 1kkp s THR 337 CO -0.03 -0.07 0.15 0.68 -0.69 0.00 0.00 174.62 174.66 1kkp s VAL 338 N 1.89 0.48 0.02 3.82 -7.23 -1.26 -1.12 120.40 117.01 1kkp s VAL 338 Ca 0.09 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.35 1kkp s VAL 338 Cb -0.17 -2.46 -0.03 0.00 0.56 0.00 0.00 36.38 34.28 1kkp s VAL 338 CO 0.11 0.00 -0.26 0.20 -0.31 0.00 0.00 175.10 174.84 1kkp s ASN 339 N -3.48 3.12 0.59 4.85 -0.87 -1.20 -4.91 114.94 113.04 1kkp s ASN 339 Ca 0.31 -0.55 -0.18 0.00 -1.57 0.00 0.00 52.86 50.86 1kkp s ASN 339 Cb 0.04 -0.30 -0.04 0.00 -0.02 0.00 0.00 41.25 40.93 1kkp s ASN 339 CO 0.17 0.28 1.16 -1.59 -2.57 0.00 0.00 177.10 174.55 1kkp s LYS 340 N -1.04 3.05 -0.26 -0.60 -2.85 -1.26 -0.38 119.74 116.40 1kkp s LYS 340 Ca 0.11 1.68 -0.18 0.00 -1.00 0.00 0.00 55.97 56.58 1kkp s LYS 340 Cb -0.10 -1.96 0.07 0.00 -2.06 0.00 0.00 37.83 33.79 1kkp s LYS 340 CO 0.01 -1.11 0.66 1.21 0.10 0.00 0.00 175.35 176.23 1kkp s ASN 341 N -1.83 -0.84 0.76 0.03 2.47 -0.33 -4.68 114.94 110.51 1kkp s ASN 341 Ca 0.74 1.42 -0.14 0.00 0.42 0.00 0.00 52.86 55.30 1kkp s ASN 341 Cb -0.26 1.34 0.06 0.00 -1.45 0.00 0.00 41.25 40.93 1kkp s ASN 341 CO 0.32 -0.24 1.19 0.42 -3.72 0.00 0.00 177.10 175.08 1kkp s THR 342 N 1.25 2.32 0.28 -5.21 -4.23 -1.26 -2.80 115.64 105.99 1kkp s THR 342 Ca -0.07 0.15 0.09 0.00 -1.18 0.00 0.00 61.69 60.68 1kkp s THR 342 Cb -0.05 -2.62 -0.04 0.00 1.34 0.00 0.00 72.50 71.13 1kkp s THR 342 CO -0.13 -0.10 0.02 0.27 -0.54 0.00 0.00 174.62 174.15 1kkp s ILE 343 N -2.15 3.41 0.27 2.99 -4.36 -1.26 -4.87 121.20 115.24 1kkp s ILE 343 Ca 0.72 -1.86 -0.30 0.00 -0.26 0.00 0.00 60.65 58.95 1kkp s ILE 343 Cb -0.27 -2.89 -0.13 0.00 1.25 0.00 0.00 42.46 40.42 1kkp s ILE 343 CO 0.48 -0.34 1.38 -2.65 0.24 0.00 0.00 174.94 174.05 1kkp n PRO 344 N -0.94 2.09 -2.58 0.37 -0.02 -1.25 -1.68 135.00 130.98 1kkp n PRO 344 Ca -0.06 0.74 -0.21 0.00 -2.02 0.00 0.00 63.50 61.95 1kkp n PRO 344 Cb 0.59 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 1kkp n PRO 344 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1kkp n TYR 345 N 1.45 -1.28 -1.78 6.00 4.02 -1.26 -4.91 117.16 119.40 1kkp n TYR 345 Ca 0.09 0.16 -0.42 0.00 -0.01 0.00 0.00 57.90 57.73 1kkp n TYR 345 Cb 0.33 -4.08 -0.03 0.00 -0.02 0.00 0.00 39.34 35.54 1kkp n TYR 345 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1kkp s ASP 346 N -2.28 6.43 0.46 7.72 3.68 -0.68 -4.88 116.67 127.12 1kkp s ASP 346 Ca 0.10 2.80 0.29 0.00 2.13 0.00 0.00 52.55 57.86 1kkp s ASP 346 Cb -0.04 -2.60 0.97 0.00 -1.45 0.00 0.00 42.92 39.80 1kkp s ASP 346 CO 0.12 -0.93 1.83 1.55 0.13 0.00 0.00 175.17 177.86 1kkp h PRO 347 N 6.78 0.00 -6.26 4.34 0.13 -1.91 -3.45 132.00 131.64 1kkp h PRO 347 Ca -0.43 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.24 1kkp h PRO 347 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1kkp h PRO 347 CO 0.95 0.00 -0.38 -1.21 -0.23 0.00 0.00 178.00 177.13 1kkp s GLU 348 N -3.45 3.44 0.85 0.86 0.41 -1.26 -5.10 118.70 114.45 1kkp s GLU 348 Ca 0.04 -0.69 -0.12 0.00 -0.41 0.00 0.00 54.97 53.80 1kkp s GLU 348 Cb 0.08 -2.84 0.10 0.00 -1.78 0.00 0.00 34.13 29.69 1kkp s GLU 348 CO 0.57 0.36 1.10 -1.54 -0.49 0.00 0.00 175.26 175.26 1kkp s SER 349 N -4.00 3.94 0.23 -0.19 1.04 -1.26 -4.57 113.70 108.89 1kkp s SER 349 Ca 0.36 1.33 0.19 0.00 0.48 0.00 0.00 55.95 58.31 1kkp s SER 349 Cb -0.09 -2.03 0.91 0.00 0.10 0.00 0.00 66.02 64.92 1kkp s SER 349 CO 0.30 -2.32 1.58 -0.81 0.98 0.00 0.00 173.24 172.98 1kkp n PRO 350 N -3.66 0.13 0.02 4.02 -0.04 -1.26 -0.59 135.00 133.62 1kkp n PRO 350 Ca 0.07 0.51 0.12 0.00 -0.04 0.00 0.00 63.50 64.15 1kkp n PRO 350 Cb 0.56 -1.83 0.16 0.00 -0.04 0.00 0.00 33.50 32.35 1kkp n PRO 350 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1kkp n PHE 351 N -2.09 0.16 0.01 0.54 3.01 -1.26 -4.58 117.46 113.25 1kkp n PHE 351 Ca 0.01 0.05 -0.03 0.00 1.01 0.00 0.00 57.45 58.49 1kkp n PHE 351 Cb 0.12 -0.35 -0.01 0.00 -0.01 0.00 0.00 39.48 39.23 1kkp n PHE 351 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1kkp n VAL 352 N -1.72 1.28 -0.97 -4.37 0.31 -0.29 -4.88 118.33 107.70 1kkp n VAL 352 Ca 0.04 0.32 0.12 0.00 -0.01 0.00 0.00 64.34 64.81 1kkp n VAL 352 Cb 0.38 -1.79 -0.05 0.00 -0.91 0.00 0.00 33.84 31.46 1kkp n VAL 352 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1kkp n THR 353 N -3.75 -0.15 -1.07 2.52 -2.24 0.24 -1.54 114.28 108.29 1kkp n THR 353 Ca -0.04 0.40 0.08 0.00 -2.27 0.00 0.00 64.05 62.22 1kkp n THR 353 Cb 0.16 -0.73 0.22 0.00 -2.10 0.00 0.00 70.33 67.89 1kkp n THR 353 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1kkp n SER 354 N -3.68 3.33 -3.65 3.42 7.64 -1.26 -0.84 113.62 118.58 1kkp n SER 354 Ca -0.04 -3.13 -0.11 0.00 1.01 0.00 0.00 58.87 56.60 1kkp n SER 354 Cb 0.45 -0.53 -0.05 0.00 -1.01 0.00 0.00 64.21 63.08 1kkp n SER 354 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1kkp s GLY 355 N -2.25 0.93 0.00 0.23 0.00 -1.12 -1.06 107.32 104.05 1kkp s GLY 355 Ca 0.40 -1.16 0.04 0.00 0.00 0.00 0.00 44.72 44.00 1kkp s GLY 355 CO 0.06 -0.79 -0.12 -0.26 0.00 0.00 0.00 173.10 172.00 1kkp s ILE 356 N -3.53 0.92 -0.15 0.90 -4.36 -1.03 -1.19 121.20 112.76 1kkp s ILE 356 Ca 0.26 -0.61 -0.06 0.00 -0.26 0.00 0.00 60.65 59.97 1kkp s ILE 356 Cb -0.00 -0.79 -0.04 0.00 1.25 0.00 0.00 42.46 42.88 1kkp s ILE 356 CO 0.14 0.17 0.07 -0.60 0.24 0.00 0.00 174.94 174.95 1kkp s ARG 357 N -0.51 3.65 0.00 0.37 3.52 0.49 -1.22 118.95 125.26 1kkp s ARG 357 Ca 0.03 -0.30 0.03 0.00 -0.13 0.00 0.00 55.73 55.36 1kkp s ARG 357 Cb -0.05 -3.12 -0.01 0.00 -1.56 0.00 0.00 34.95 30.20 1kkp s ARG 357 CO -0.00 0.48 -0.10 0.42 -0.81 0.00 0.00 175.30 175.29 1kkp s ILE 358 N -0.23 0.79 0.06 4.11 1.01 -0.41 -3.23 121.20 123.31 1kkp s ILE 358 Ca 0.08 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 60.20 1kkp s ILE 358 Cb -0.12 -0.68 -0.03 0.00 0.01 0.00 0.00 42.46 41.63 1kkp s ILE 358 CO 0.01 0.14 -0.06 -0.83 0.00 0.00 0.00 174.94 174.20 1kkp s GLY 359 N -0.46 0.56 0.00 6.18 0.00 0.14 -0.73 107.32 113.01 1kkp s GLY 359 Ca 0.02 -1.04 0.17 0.00 0.00 0.00 0.00 44.72 43.88 1kkp s GLY 359 CO -0.00 -1.12 1.18 -1.30 0.00 0.00 0.00 173.10 171.85 1kkp n THR 360 N 0.68 0.35 -0.18 0.90 -2.24 -0.71 -4.54 114.28 108.54 1kkp n THR 360 Ca -0.17 -0.67 -0.04 0.00 -2.27 0.00 0.00 64.05 60.89 1kkp n THR 360 Cb 0.58 1.06 0.05 0.00 -2.10 0.00 0.00 70.33 69.93 1kkp n THR 360 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kkp h ALA 361 N 3.35 0.69 -0.07 6.98 0.00 -1.84 -1.00 119.26 127.37 1kkp h ALA 361 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1kkp h ALA 361 Cb 0.78 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1kkp h ALA 361 CO 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 179.25 179.17 1kkp h ALA 362 N 1.27 0.10 0.00 0.00 0.00 -1.82 -1.67 119.26 117.13 1kkp h ALA 362 Ca 0.23 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1kkp h ALA 362 Cb 0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1kkp h ALA 362 CO -0.14 -0.12 -0.23 -0.39 0.00 0.00 0.00 179.25 178.38 1kkp h VAL 363 N -0.26 0.83 -0.33 0.00 -1.51 -1.68 -1.85 116.25 111.44 1kkp h VAL 363 Ca 0.01 -0.88 -0.18 0.00 -1.23 0.00 0.00 66.70 64.42 1kkp h VAL 363 Cb 0.53 1.53 -0.00 0.00 -2.13 0.00 0.00 31.29 31.22 1kkp h VAL 363 CO 0.01 0.22 -0.49 0.74 -1.23 0.00 0.00 177.57 176.83 1kkp h THR 364 N 0.00 1.27 -0.78 7.19 2.02 -1.10 -0.77 112.91 120.74 1kkp h THR 364 Ca -0.00 -1.67 0.03 0.00 0.77 0.00 0.00 66.41 65.54 1kkp h THR 364 Cb 0.51 1.53 -0.04 0.00 -1.74 0.00 0.00 68.15 68.41 1kkp h THR 364 CO 0.03 0.55 0.52 0.74 0.37 0.00 0.00 175.52 177.73 1kkp h THR 365 N 0.71 1.13 0.00 3.16 2.02 -0.50 -0.20 112.91 119.24 1kkp h THR 365 Ca 0.03 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.88 1kkp h THR 365 Cb 1.09 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1kkp h THR 365 CO 0.11 0.18 0.00 -2.11 0.37 0.00 0.00 175.52 174.07 1kkp n ARG 366 N -4.45 0.87 0.00 6.66 1.85 -0.91 -4.87 116.66 115.81 1kkp n ARG 366 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.95 1kkp n ARG 366 Cb 0.10 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.01 1kkp n ARG 366 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1kkp n GLY 367 N 0.76 0.73 3.76 2.89 0.00 -0.09 -5.08 105.19 108.17 1kkp n GLY 367 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 1kkp n GLY 367 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1kkp s PHE 368 N -2.00 2.67 0.00 1.61 2.99 -0.31 -5.00 117.98 117.95 1kkp s PHE 368 Ca 0.00 1.50 0.00 0.00 0.00 0.00 0.00 56.93 58.43 1kkp s PHE 368 Cb 0.00 -3.47 0.00 0.00 0.00 0.00 0.00 43.02 39.55 1kkp s PHE 368 CO 0.00 -1.89 0.00 0.41 -0.00 0.00 0.00 175.22 173.74 1kkp n GLY 369 N 0.48 6.25 0.29 4.36 0.00 -1.26 -4.52 105.19 110.79 1kkp n GLY 369 Ca 0.09 -1.75 -0.05 0.00 0.00 0.00 0.00 46.02 44.31 1kkp n GLY 369 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1kkp h LEU 370 N 0.00 0.87 -1.17 0.99 3.38 -1.95 -1.46 115.31 115.97 1kkp h LEU 370 Ca 0.00 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1kkp h LEU 370 Cb 0.00 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1kkp h LEU 370 CO 0.00 0.68 0.17 -0.33 0.09 0.00 0.00 178.44 179.04 1kkp h GLU 371 N 0.99 0.75 -0.34 1.13 4.39 -2.00 -1.65 114.58 117.85 1kkp h GLU 371 Ca 0.26 -0.12 -0.13 0.00 0.34 0.00 0.00 59.36 59.71 1kkp h GLU 371 Cb -0.03 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.48 1kkp h GLU 371 CO -0.05 0.65 -0.30 0.93 -1.16 0.00 0.00 179.01 179.08 1kkp h GLU 372 N 0.73 0.72 -0.57 2.33 3.07 -1.79 -2.46 114.58 116.61 1kkp h GLU 372 Ca 0.17 -0.32 -0.02 0.00 -0.50 0.00 0.00 59.36 58.69 1kkp h GLU 372 Cb 0.21 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.07 1kkp h GLU 372 CO -0.01 0.93 0.27 0.52 -1.40 0.00 0.00 179.01 179.32 1kkp h MET 373 N 0.62 0.82 -0.70 2.33 2.86 -0.68 0.37 114.93 120.55 1kkp h MET 373 Ca 0.07 -0.12 0.04 0.00 -2.06 0.00 0.00 59.70 57.62 1kkp h MET 373 Cb 0.81 -0.15 -0.05 0.00 0.06 0.00 0.00 31.60 32.28 1kkp h MET 373 CO 0.07 0.67 0.43 -0.44 1.06 0.00 0.00 176.91 178.70 1kkp h ASP 374 N 0.77 0.69 -0.40 1.22 3.32 -1.14 -1.12 116.42 119.75 1kkp h ASP 374 Ca 0.19 0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.16 1kkp h ASP 374 Cb 0.13 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1kkp h ASP 374 CO -0.02 0.47 -0.12 -0.08 -1.72 0.00 0.00 179.24 177.77 1kkp h GLU 375 N 0.82 0.79 -0.51 3.56 4.57 -1.10 -1.00 114.58 121.70 1kkp h GLU 375 Ca 0.29 -0.31 0.02 0.00 -1.18 0.00 0.00 59.36 58.17 1kkp h GLU 375 Cb 0.06 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.58 1kkp h GLU 375 CO -0.13 0.93 0.32 0.82 -1.18 0.00 0.00 179.01 179.78 1kkp h ILE 376 N 0.60 1.09 -0.76 2.32 2.04 -0.60 0.23 117.51 122.42 1kkp h ILE 376 Ca 0.10 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 1kkp h ILE 376 Cb 0.65 0.38 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 1kkp h ILE 376 CO 0.04 0.12 0.43 0.00 0.00 0.00 0.00 178.15 178.74 1kkp h ALA 377 N 1.21 0.97 -0.78 1.87 0.00 -1.12 -0.92 119.26 120.49 1kkp h ALA 377 Ca 0.20 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1kkp h ALA 377 Cb -0.02 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 1kkp h ALA 377 CO -0.07 0.48 0.29 0.00 0.00 0.00 0.00 179.25 179.95 1kkp h ALA 378 N 1.22 1.03 -0.41 0.00 0.00 -0.19 -0.28 119.26 120.63 1kkp h ALA 378 Ca 0.27 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1kkp h ALA 378 Cb 0.02 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1kkp h ALA 378 CO -0.04 0.67 0.02 0.82 0.00 0.00 0.00 179.25 180.72 1kkp h ILE 379 N 1.15 1.25 -0.61 0.00 2.04 -0.22 -1.45 117.51 119.68 1kkp h ILE 379 Ca 0.26 -0.97 -0.04 0.00 1.00 0.00 0.00 64.86 65.10 1kkp h ILE 379 Cb 0.25 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 1kkp h ILE 379 CO -0.02 0.33 0.21 0.40 0.00 0.00 0.00 178.15 179.07 1kkp h ILE 380 N 0.55 1.23 -0.10 -0.67 2.04 -0.85 -1.36 117.51 118.35 1kkp h ILE 380 Ca 0.12 -0.76 -0.00 0.00 1.00 0.00 0.00 64.86 65.22 1kkp h ILE 380 Cb 0.44 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1kkp h ILE 380 CO 0.02 0.29 0.05 1.23 0.00 0.00 0.00 178.15 179.74 1kkp h GLY 381 N 1.00 0.15 0.52 5.37 0.00 -0.78 -0.16 103.07 109.18 1kkp h GLY 381 Ca 0.20 -0.08 0.07 0.00 0.00 0.00 0.00 47.33 47.52 1kkp h GLY 381 CO -0.01 0.07 0.15 -2.00 0.00 0.00 0.00 176.54 174.75 1kkp h LEU 382 N 0.04 0.13 0.26 3.11 5.85 -1.01 -1.44 115.31 122.24 1kkp h LEU 382 Ca 0.03 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 1kkp h LEU 382 Cb 0.12 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.21 1kkp h LEU 382 CO -0.00 0.10 -0.12 0.58 -0.34 0.00 0.00 178.44 178.65 1kkp h VAL 383 N 0.31 0.74 0.00 1.05 2.07 -1.08 -2.91 116.25 116.42 1kkp h VAL 383 Ca 0.23 -0.76 -0.04 0.00 0.82 0.00 0.00 66.70 66.94 1kkp h VAL 383 Cb 0.25 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1kkp h VAL 383 CO -0.25 0.15 -0.20 -0.07 0.02 0.00 0.00 177.57 177.21 1kkp h LEU 384 N -0.79 0.00 -0.47 2.57 3.38 -0.99 -2.05 115.31 116.97 1kkp h LEU 384 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1kkp h LEU 384 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1kkp h LEU 384 CO 0.06 0.20 -0.21 0.29 0.09 0.00 0.00 178.44 178.87 1kkp n LYS 385 N -3.54 0.85 -2.67 1.13 5.02 -0.55 -4.20 118.16 114.19 1kkp n LYS 385 Ca -0.01 -0.47 -0.09 0.00 -2.02 0.00 0.00 58.31 55.73 1kkp n LYS 385 Cb 0.36 -1.49 0.03 0.00 -0.02 0.00 0.00 35.03 33.91 1kkp n LYS 385 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1kkp n ASN 386 N -0.67 1.53 0.29 4.39 4.13 -0.81 -4.95 115.26 119.18 1kkp n ASN 386 Ca 0.13 -2.67 0.15 0.00 1.68 0.00 0.00 54.58 53.88 1kkp n ASN 386 Cb 0.33 -0.52 0.90 0.00 -1.54 0.00 0.00 39.78 38.95 1kkp n ASN 386 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 1kkp h VAL 387 N 3.25 0.47 -0.15 2.41 2.07 -1.62 -2.33 116.25 120.34 1kkp h VAL 387 Ca -0.09 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1kkp h VAL 387 Cb 1.18 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 1kkp h VAL 387 CO 0.48 0.03 0.00 0.61 0.02 0.00 0.00 177.57 178.71 1kkp n GLY 388 N -1.10 0.68 3.43 2.17 0.00 -1.26 -4.85 105.19 104.26 1kkp n GLY 388 Ca -0.03 -0.55 -0.43 0.00 0.00 0.00 0.00 46.02 45.01 1kkp n GLY 388 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1kkp s SER 389 N -1.75 6.06 0.44 1.61 0.15 -0.88 -4.94 113.70 114.40 1kkp s SER 389 Ca 0.34 -1.01 0.19 0.00 0.70 0.00 0.00 55.95 56.17 1kkp s SER 389 Cb 0.20 -2.14 1.04 0.00 -1.71 0.00 0.00 66.02 63.41 1kkp s SER 389 CO 0.30 -0.48 1.94 -0.33 1.20 0.00 0.00 173.24 175.87 1kkp h GLU 390 N 8.62 0.00 -0.46 5.44 4.39 -1.88 -1.98 114.58 128.71 1kkp h GLU 390 Ca -0.27 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.37 1kkp h GLU 390 Cb 1.11 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.75 1kkp h GLU 390 CO 0.75 0.24 0.04 -0.56 -1.16 0.00 0.00 179.01 178.32 1kkp h GLN 391 N 0.00 0.78 -0.63 2.33 3.07 -1.96 -1.08 115.11 117.62 1kkp h GLN 391 Ca -0.00 -0.23 -0.06 0.00 0.09 0.00 0.00 58.65 58.45 1kkp h GLN 391 Cb 0.48 -0.08 -0.03 0.00 0.08 0.00 0.00 27.48 27.93 1kkp h GLN 391 CO 0.03 0.82 0.17 0.00 0.09 0.00 0.00 178.83 179.94 1kkp h ALA 392 N 0.93 1.11 -0.34 0.06 0.00 -1.71 -1.66 119.26 117.65 1kkp h ALA 392 Ca 0.13 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 1kkp h ALA 392 Cb 0.44 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1kkp h ALA 392 CO 0.02 0.60 -0.25 -0.07 0.00 0.00 0.00 179.25 179.55 1kkp h LEU 393 N 0.93 0.69 -0.56 0.00 3.38 -1.17 -0.83 115.31 117.76 1kkp h LEU 393 Ca 0.20 -0.25 -0.14 0.00 0.09 0.00 0.00 57.88 57.78 1kkp h LEU 393 Cb 0.31 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1kkp h LEU 393 CO -0.00 0.92 -0.39 -0.08 0.09 0.00 0.00 178.44 178.98 1kkp h GLU 394 N 0.59 0.73 -0.31 1.13 4.57 -1.01 -0.64 114.58 119.64 1kkp h GLU 394 Ca 0.08 -0.37 -0.01 0.00 -1.18 0.00 0.00 59.36 57.87 1kkp h GLU 394 Cb 0.73 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.32 1kkp h GLU 394 CO 0.06 0.99 0.15 1.49 -1.18 0.00 0.00 179.01 180.52 1kkp h GLU 395 N 0.60 0.45 -0.63 1.92 4.81 -1.14 -1.67 114.58 118.93 1kkp h GLU 395 Ca 0.05 -0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.25 1kkp h GLU 395 Cb 0.93 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.19 1kkp h GLU 395 CO 0.08 0.42 0.37 0.00 -0.73 0.00 0.00 179.01 179.16 1kkp h ALA 396 N 1.01 0.83 -0.76 2.92 0.00 -0.87 -0.43 119.26 121.95 1kkp h ALA 396 Ca 0.11 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.06 1kkp h ALA 396 Cb 0.12 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 1kkp h ALA 396 CO -0.01 0.09 0.47 0.00 0.00 0.00 0.00 179.25 179.80 1kkp h ARG 397 N 0.72 0.86 -0.45 0.00 3.08 -0.73 0.13 114.38 117.99 1kkp h ARG 397 Ca 0.26 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 60.18 1kkp h ARG 397 Cb 0.08 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 1kkp h ARG 397 CO -0.13 0.57 -0.05 1.96 -1.07 0.00 0.00 179.97 181.25 1kkp h GLN 398 N 0.89 0.76 -0.14 0.04 4.20 -0.82 -1.08 115.11 118.96 1kkp h GLN 398 Ca 0.32 -0.22 -0.13 0.00 0.06 0.00 0.00 58.65 58.67 1kkp h GLN 398 Cb 0.10 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 1kkp h GLN 398 CO -0.14 0.81 -0.50 0.00 -0.67 0.00 0.00 178.83 178.33 1kkp h ARG 399 N 0.70 0.36 -0.14 1.46 3.08 -0.29 -1.43 114.38 118.13 1kkp h ARG 399 Ca 0.13 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 1kkp h ARG 399 Cb 0.51 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 1kkp h ARG 399 CO 0.03 0.78 0.00 0.28 -1.07 0.00 0.00 179.97 179.99 1kkp h VAL 400 N 0.29 1.25 -0.44 2.04 2.07 -0.59 -2.65 116.25 118.22 1kkp h VAL 400 Ca 0.01 -0.82 0.04 0.00 0.82 0.00 0.00 66.70 66.75 1kkp h VAL 400 Cb 0.98 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 32.25 1kkp h VAL 400 CO 0.08 0.24 0.29 0.00 0.02 0.00 0.00 177.57 178.21 1kkp h ALA 401 N 0.76 1.87 -0.18 1.67 0.00 -1.07 -0.97 119.26 121.34 1kkp h ALA 401 Ca 0.04 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1kkp h ALA 401 Cb 0.37 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1kkp h ALA 401 CO 0.01 0.07 -0.23 0.00 0.00 0.00 0.00 179.25 179.10 1kkp h ALA 402 N 1.75 1.28 0.03 0.00 0.00 -1.02 0.67 119.26 121.98 1kkp h ALA 402 Ca 0.18 -0.30 -0.26 0.00 0.00 0.00 0.00 54.91 54.53 1kkp h ALA 402 Cb 0.19 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.89 1kkp h ALA 402 CO -0.04 0.48 -1.06 -0.07 0.00 0.00 0.00 179.25 178.56 1kkp h LEU 403 N 0.30 0.74 0.00 0.00 3.38 -0.88 -3.30 115.31 115.54 1kkp h LEU 403 Ca 0.05 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.40 1kkp h LEU 403 Cb 0.57 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1kkp h LEU 403 CO 0.04 1.43 -0.60 0.35 0.09 0.00 0.00 178.44 179.75 1kkp n THR 404 N -3.78 0.09 -0.78 0.22 -2.24 -0.55 -5.11 114.28 102.13 1kkp n THR 404 Ca -0.10 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1kkp n THR 404 Cb 0.89 0.18 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 1kkp n THR 404 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83