#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kef s GLN 2 N 0.00 4.35 -0.23 2.12 0.74 -0.03 -1.23 119.66 125.38 3kef s GLN 2 Ca 0.00 0.81 -0.06 0.00 0.05 0.00 0.00 55.36 56.16 3kef s GLN 2 Cb 0.00 -3.34 -0.02 0.00 1.10 0.00 0.00 33.01 30.75 3kef s GLN 2 CO 0.00 0.38 0.03 0.42 -0.55 0.00 0.00 175.29 175.57 3kef s ILE 3 N -0.26 4.06 -0.01 -2.34 -1.09 -1.26 -1.07 121.20 119.23 3kef s ILE 3 Ca 0.32 -0.26 0.04 0.00 -2.23 0.00 0.00 60.65 58.53 3kef s ILE 3 Cb -0.19 -2.88 -0.03 0.00 -1.58 0.00 0.00 42.46 37.79 3kef s ILE 3 CO 0.19 0.37 -0.14 -0.76 -1.23 0.00 0.00 174.94 173.37 3kef s LEU 4 N 1.47 2.80 -0.12 2.97 1.43 -0.52 -0.12 118.68 126.58 3kef s LEU 4 Ca 0.05 -0.25 0.01 0.00 -1.03 0.00 0.00 54.13 52.92 3kef s LEU 4 Cb -0.15 -1.60 -0.01 0.00 0.03 0.00 0.00 46.19 44.46 3kef s LEU 4 CO 0.02 0.31 -0.16 -0.76 0.23 0.00 0.00 176.35 175.99 3kef s LEU 5 N -1.08 2.57 0.54 1.79 1.43 -0.21 -0.42 118.68 123.32 3kef s LEU 5 Ca 0.14 -0.38 -0.19 0.00 -1.03 0.00 0.00 54.13 52.67 3kef s LEU 5 Cb -0.11 -1.56 -0.06 0.00 0.03 0.00 0.00 46.19 44.49 3kef s LEU 5 CO 0.03 0.17 1.11 0.00 0.23 0.00 0.00 176.35 177.88 3kef s ALA 6 N 0.34 2.72 -0.12 4.21 0.00 -0.16 -1.51 121.76 127.22 3kef s ALA 6 Ca -0.13 0.74 -0.05 0.00 0.00 0.00 0.00 51.96 52.52 3kef s ALA 6 Cb -0.16 -3.33 0.06 0.00 0.00 0.00 0.00 23.12 19.69 3kef s ALA 6 CO 0.06 -0.72 0.26 1.21 0.00 0.00 0.00 175.76 176.58 3kef s ASN 7 N -1.93 0.19 0.89 0.00 3.84 -1.26 -4.05 114.94 112.61 3kef s ASN 7 Ca 0.71 0.59 -0.12 0.00 0.21 0.00 0.00 52.86 54.24 3kef s ASN 7 Cb -0.22 0.64 0.12 0.00 -0.55 0.00 0.00 41.25 41.25 3kef s ASN 7 CO 0.27 -0.22 1.12 -2.16 -2.79 0.00 0.00 177.10 173.32 3kef s PRO 8 N 2.13 1.35 0.18 0.43 0.04 -1.26 -4.13 135.00 133.75 3kef s PRO 8 Ca -0.01 0.42 -0.20 0.00 0.04 0.00 0.00 61.00 61.25 3kef s PRO 8 Cb -0.12 -1.85 0.05 0.00 0.04 0.00 0.00 34.50 32.62 3kef s PRO 8 CO -0.09 -2.08 0.56 -0.98 0.04 0.00 0.00 177.00 174.46 3kef s ARG 9 N -5.21 1.35 2.98 4.56 1.70 -1.26 -4.65 118.95 118.43 3kef s ARG 9 Ca 0.63 -0.70 0.00 0.00 -0.47 0.00 0.00 55.73 55.19 3kef s ARG 9 Cb -0.15 0.55 0.00 0.00 -0.57 0.00 0.00 34.95 34.78 3kef s ARG 9 CO 0.54 -0.58 0.00 0.41 -1.08 0.00 0.00 175.30 174.59 3kef n GLY 10 N -0.36 0.03 3.24 3.88 0.00 -0.06 -4.91 105.19 107.02 3kef n GLY 10 Ca -0.13 -0.96 -0.55 0.00 0.00 0.00 0.00 46.02 44.37 3kef n GLY 10 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kef n PHE 11 N 0.00 0.73 -3.24 1.61 3.01 -1.24 -3.85 117.46 114.48 3kef n PHE 11 Ca 0.00 0.98 -0.21 0.00 1.01 0.00 0.00 57.45 59.24 3kef n PHE 11 Cb 0.00 -1.93 0.03 0.00 -0.01 0.00 0.00 39.48 37.57 3kef n PHE 11 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3kef h ALA 13 N 0.43 1.05 -0.37 0.00 0.00 -1.94 -2.58 119.26 115.84 3kef h ALA 13 Ca -0.34 -0.41 -0.11 0.00 0.00 0.00 0.00 54.91 54.05 3kef h ALA 13 Cb 1.29 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3kef h ALA 13 CO 0.46 0.60 -0.22 0.78 0.00 0.00 0.00 179.25 180.87 3kef h GLY 14 N 1.17 0.87 0.92 0.00 0.00 -1.94 -2.50 103.07 101.59 3kef h GLY 14 Ca 0.03 -0.81 -0.09 0.00 0.00 0.00 0.00 47.33 46.46 3kef h GLY 14 CO 0.07 0.73 -0.17 -2.08 0.00 0.00 0.00 176.54 175.09 3kef h VAL 15 N 0.60 1.30 -0.75 4.60 2.07 -1.84 -1.06 116.25 121.17 3kef h VAL 15 Ca 0.08 -1.29 0.04 0.00 0.82 0.00 0.00 66.70 66.35 3kef h VAL 15 Cb 0.78 1.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.99 3kef h VAL 15 CO 0.06 0.41 0.46 -0.78 0.02 0.00 0.00 177.57 177.74 3kef h ASP 16 N 0.38 0.73 -0.18 0.57 -0.00 -1.48 -0.89 116.42 115.55 3kef h ASP 16 Ca 0.06 0.01 -0.03 0.00 -0.00 0.00 0.00 57.03 57.07 3kef h ASP 16 Cb 0.71 -0.14 -0.01 0.00 -0.00 0.00 0.00 39.33 39.89 3kef h ASP 16 CO 0.05 0.49 -0.01 -0.09 -0.00 0.00 0.00 179.24 179.68 3kef h ARG 17 N 0.87 0.32 -0.32 0.28 2.43 -1.33 -1.98 114.38 114.64 3kef h ARG 17 Ca 0.31 -0.10 0.02 0.00 -0.81 0.00 0.00 59.98 59.40 3kef h ARG 17 Cb 0.09 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 3kef h ARG 17 CO -0.14 0.54 0.16 0.00 -1.51 0.00 0.00 179.97 179.02 3kef h ALA 18 N 0.77 0.39 -0.64 2.80 0.00 -0.76 -0.57 119.26 121.25 3kef h ALA 18 Ca 0.05 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3kef h ALA 18 Cb 0.40 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3kef h ALA 18 CO 0.01 -0.22 0.21 0.82 0.00 0.00 0.00 179.25 180.08 3kef h ILE 19 N 0.34 1.25 -0.37 0.00 1.08 -1.20 -2.52 117.51 116.09 3kef h ILE 19 Ca 0.13 -0.83 -0.02 0.00 -0.39 0.00 0.00 64.86 63.76 3kef h ILE 19 Cb 0.05 0.57 -0.02 0.00 -3.07 0.00 0.00 36.82 34.35 3kef h ILE 19 CO -0.09 0.32 0.13 0.28 -0.69 0.00 0.00 178.15 178.10 3kef h SER 20 N 0.92 0.48 -0.48 1.72 0.02 -0.92 -0.26 113.55 115.03 3kef h SER 20 Ca 0.21 -0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.08 3kef h SER 20 Cb 0.27 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 3kef h SER 20 CO -0.01 0.45 0.19 0.40 -1.14 0.00 0.00 176.83 176.72 3kef h ILE 21 N 0.53 1.21 -0.19 3.27 2.04 -0.68 0.14 117.51 123.82 3kef h ILE 21 Ca 0.13 -0.66 -0.06 0.00 1.00 0.00 0.00 64.86 65.27 3kef h ILE 21 Cb 0.14 0.75 -0.00 0.00 -0.74 0.00 0.00 36.82 36.96 3kef h ILE 21 CO -0.01 0.24 -0.12 0.58 0.00 0.00 0.00 178.15 178.85 3kef h VAL 22 N 0.63 1.32 -0.46 1.67 2.07 -1.19 -1.33 116.25 118.95 3kef h VAL 22 Ca 0.16 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 66.47 3kef h VAL 22 Cb 0.20 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 3kef h VAL 22 CO -0.01 0.36 0.31 -0.33 0.02 0.00 0.00 177.57 177.92 3kef h GLU 23 N 0.09 0.61 -0.32 1.57 5.08 -0.92 -1.68 114.58 119.01 3kef h GLU 23 Ca 0.04 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 3kef h GLU 23 Cb 0.62 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 3kef h GLU 23 CO 0.03 0.40 -0.36 -0.91 -1.00 0.00 0.00 179.01 177.18 3kef h ASN 24 N 0.63 0.76 -0.88 1.42 4.21 -0.74 -1.16 115.58 119.81 3kef h ASN 24 Ca 0.17 -0.33 -0.01 0.00 1.21 0.00 0.00 56.30 57.35 3kef h ASN 24 Cb -0.07 -0.21 -0.04 0.00 -1.12 0.00 0.00 38.32 36.87 3kef h ASN 24 CO -0.04 1.04 0.52 0.00 -1.29 0.00 0.00 177.43 177.67 3kef h ALA 25 N 1.00 1.12 -0.41 -0.83 0.00 -1.02 0.13 119.26 119.25 3kef h ALA 25 Ca 0.06 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3kef h ALA 25 Cb 0.89 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3kef h ALA 25 CO 0.08 0.59 0.01 -0.07 0.00 0.00 0.00 179.25 179.85 3kef h LEU 26 N 1.21 0.70 -0.82 0.00 3.38 -1.07 0.74 115.31 119.45 3kef h LEU 26 Ca 0.31 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 3kef h LEU 26 Cb -0.04 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3kef h LEU 26 CO -0.06 0.83 0.08 0.00 0.09 0.00 0.00 178.44 179.38 3kef h ALA 27 N 0.89 1.03 0.00 1.53 0.00 -0.70 0.44 119.26 122.46 3kef h ALA 27 Ca 0.12 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3kef h ALA 27 Cb 0.47 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3kef h ALA 27 CO 0.02 0.62 -0.13 0.82 0.00 0.00 0.00 179.25 180.58 3kef h ILE 28 N 0.91 1.63 0.00 0.00 2.04 -0.68 -3.39 117.51 118.02 3kef h ILE 28 Ca 0.18 -2.27 0.00 0.00 1.00 0.00 0.00 64.86 63.77 3kef h ILE 28 Cb 0.42 3.13 0.00 0.00 -0.74 0.00 0.00 36.82 39.62 3kef h ILE 28 CO 0.01 0.55 -1.35 -1.22 0.00 0.00 0.00 178.15 176.15 3kef n TYR 29 N -4.60 0.11 -0.10 1.37 4.01 0.24 -5.09 117.16 113.11 3kef n TYR 29 Ca -0.12 0.03 0.01 0.00 -0.16 0.00 0.00 57.90 57.67 3kef n TYR 29 Cb 0.48 -0.34 -0.00 0.00 -0.31 0.00 0.00 39.34 39.17 3kef n TYR 29 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kef n GLY 30 N 1.37 -1.85 3.81 2.72 0.00 0.15 -4.90 105.19 106.50 3kef n GLY 30 Ca 0.00 -1.48 -0.33 0.00 0.00 0.00 0.00 46.02 44.21 3kef n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kef s ALA 31 N -1.88 3.01 0.31 4.61 0.00 -1.26 -4.37 121.76 122.18 3kef s ALA 31 Ca 0.00 0.44 -0.04 0.00 0.00 0.00 0.00 51.96 52.37 3kef s ALA 31 Cb 0.00 -3.17 -0.05 0.00 0.00 0.00 0.00 23.12 19.90 3kef s ALA 31 CO 0.00 0.05 0.56 -1.25 0.00 0.00 0.00 175.76 175.11 3kef s PRO 32 N -3.16 3.60 -0.12 0.00 0.04 -1.26 -5.14 135.00 128.96 3kef s PRO 32 Ca 0.63 -0.06 0.01 0.00 0.04 0.00 0.00 61.00 61.62 3kef s PRO 32 Cb -0.11 -2.64 0.02 0.00 0.04 0.00 0.00 34.50 31.81 3kef s PRO 32 CO 0.15 0.19 -0.13 0.42 0.04 0.00 0.00 177.00 177.66 3kef s ILE 33 N -2.15 1.39 0.03 0.56 -1.09 -1.17 -4.69 121.20 114.07 3kef s ILE 33 Ca 0.43 -0.55 -0.19 0.00 -2.23 0.00 0.00 60.65 58.11 3kef s ILE 33 Cb -0.10 -1.30 -0.06 0.00 -1.58 0.00 0.00 42.46 39.41 3kef s ILE 33 CO 0.32 0.42 0.55 -0.31 -1.23 0.00 0.00 174.94 174.69 3kef s TYR 34 N 1.26 3.74 -0.09 3.97 1.51 -0.34 -1.07 117.35 126.33 3kef s TYR 34 Ca -0.01 1.20 0.01 0.00 -1.01 0.00 0.00 57.07 57.25 3kef s TYR 34 Cb -0.14 -2.51 0.02 0.00 -0.11 0.00 0.00 41.96 39.22 3kef s TYR 34 CO -0.05 0.49 -0.11 0.08 -1.11 0.00 0.00 175.55 174.85 3kef s VAL 35 N -0.70 1.14 -0.41 0.71 1.01 -0.16 -0.53 120.40 121.46 3kef s VAL 35 Ca 0.29 -0.43 -0.29 0.00 0.00 0.00 0.00 61.98 61.55 3kef s VAL 35 Cb -0.18 -1.08 0.02 0.00 0.00 0.00 0.00 36.38 35.14 3kef s VAL 35 CO 0.17 0.37 1.10 -0.60 0.00 0.00 0.00 175.10 176.14 3kef s ARG 36 N 1.07 3.86 0.25 2.72 3.52 -0.53 -1.15 118.95 128.68 3kef s ARG 36 Ca -0.07 0.75 0.00 0.00 -0.13 0.00 0.00 55.73 56.28 3kef s ARG 36 Cb -0.15 -3.84 0.00 0.00 -1.56 0.00 0.00 34.95 29.41 3kef s ARG 36 CO -0.01 -1.18 0.00 1.58 -0.81 0.00 0.00 175.30 174.88 3kef n HIS 37 N 7.41 -1.65 -1.69 5.12 -0.00 0.08 -3.57 115.22 120.92 3kef n HIS 37 Ca 0.12 0.89 -0.44 0.00 -0.00 0.00 0.00 57.72 58.29 3kef n HIS 37 Cb 0.48 -1.50 -0.04 0.00 -0.00 0.00 0.00 29.99 28.94 3kef n HIS 37 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 3kef n GLU 38 N -3.11 2.43 -0.31 1.57 1.02 -1.26 -4.76 120.64 116.22 3kef n GLU 38 Ca -0.03 0.88 0.08 0.00 -0.02 0.00 0.00 57.16 58.07 3kef n GLU 38 Cb 0.29 -2.68 0.29 0.00 -0.02 0.00 0.00 31.44 29.33 3kef n GLU 38 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 3kef h VAL 39 N 3.67 0.92 -3.62 2.62 3.04 -1.93 -3.43 116.25 117.53 3kef h VAL 39 Ca -0.44 -0.30 -0.10 0.00 -1.01 0.00 0.00 66.70 64.84 3kef h VAL 39 Cb 1.23 -0.05 -0.16 0.00 -2.01 0.00 0.00 31.29 30.30 3kef h VAL 39 CO 0.91 0.16 -0.38 0.68 -1.01 0.00 0.00 177.57 177.93 3kef s VAL 40 N -5.84 0.12 -1.47 1.51 -7.23 -1.26 -1.78 120.40 104.44 3kef s VAL 40 Ca -0.11 -0.96 -0.12 0.00 -1.81 0.00 0.00 61.98 58.98 3kef s VAL 40 Cb 0.22 -1.02 0.03 0.00 0.56 0.00 0.00 36.38 36.16 3kef s VAL 40 CO 0.80 -0.53 2.36 1.41 -0.31 0.00 0.00 175.10 178.83 3kef n HIS 41 N 0.49 3.19 -3.66 2.82 -0.00 -1.26 -4.79 115.22 112.01 3kef n HIS 41 Ca -0.18 -2.98 -0.18 0.00 -0.00 0.00 0.00 57.72 54.38 3kef n HIS 41 Cb 0.60 -2.46 -0.16 0.00 -0.00 0.00 0.00 29.99 27.97 3kef n HIS 41 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 3kef s ASN 42 N 2.62 0.92 0.20 0.41 2.47 -1.26 -4.06 114.94 116.23 3kef s ASN 42 Ca 0.52 0.22 -0.10 0.00 0.42 0.00 0.00 52.86 53.91 3kef s ASN 42 Cb 0.15 0.19 0.24 0.00 -1.45 0.00 0.00 41.25 40.37 3kef s ASN 42 CO -0.07 -0.25 1.76 -0.09 -3.72 0.00 0.00 177.10 174.72 3kef h ARG 43 N 8.38 0.43 -0.35 0.43 2.43 -1.94 -1.41 114.38 122.36 3kef h ARG 43 Ca -0.13 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.00 3kef h ARG 43 Cb 1.12 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.56 3kef h ARG 43 CO 0.16 0.29 0.16 -0.92 -1.51 0.00 0.00 179.97 178.14 3kef h TYR 44 N 0.45 0.51 -0.32 2.20 3.20 -1.96 0.03 116.97 121.07 3kef h TYR 44 Ca 0.29 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.11 3kef h TYR 44 Cb 0.31 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 3kef h TYR 44 CO -0.15 0.45 0.14 0.28 -1.64 0.00 0.00 178.16 177.24 3kef h VAL 45 N 0.42 1.17 -0.40 1.81 2.07 -1.83 -0.81 116.25 118.67 3kef h VAL 45 Ca 0.12 -0.50 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 3kef h VAL 45 Cb 0.14 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 3kef h VAL 45 CO -0.01 0.18 0.11 0.58 0.02 0.00 0.00 177.57 178.44 3kef h VAL 46 N 0.37 1.23 -0.71 2.57 2.07 -1.17 -1.43 116.25 119.18 3kef h VAL 46 Ca 0.11 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 3kef h VAL 46 Cb 0.15 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 3kef h VAL 46 CO -0.01 0.27 0.41 0.44 0.02 0.00 0.00 177.57 178.70 3kef h ASP 47 N 0.51 0.87 -0.13 0.57 3.45 -0.89 -0.24 116.42 120.56 3kef h ASP 47 Ca 0.13 -0.08 -0.01 0.00 0.43 0.00 0.00 57.03 57.50 3kef h ASP 47 Cb 0.30 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 38.84 3kef h ASP 47 CO -0.00 0.69 0.05 0.28 -1.57 0.00 0.00 179.24 178.69 3kef h SER 48 N 0.97 0.18 -0.50 6.45 0.02 -0.97 -1.07 113.55 118.64 3kef h SER 48 Ca 0.25 -0.17 -0.04 0.00 -0.84 0.00 0.00 61.79 61.00 3kef h SER 48 Cb -0.00 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.46 3kef h SER 48 CO -0.04 0.31 0.19 -0.07 -1.14 0.00 0.00 176.83 176.07 3kef h LEU 49 N 0.05 0.73 -0.68 5.07 3.38 -1.07 -1.71 115.31 121.08 3kef h LEU 49 Ca 0.04 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 3kef h LEU 49 Cb 0.18 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3kef h LEU 49 CO -0.00 0.68 0.20 -0.09 0.09 0.00 0.00 178.44 179.32 3kef h ARG 50 N 0.79 1.06 0.00 1.13 2.43 -0.79 -0.79 114.38 118.21 3kef h ARG 50 Ca 0.18 -0.23 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 3kef h ARG 50 Cb 0.20 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.60 3kef h ARG 50 CO -0.01 0.93 -0.05 1.49 -1.51 0.00 0.00 179.97 180.81 3kef h GLU 51 N 0.99 0.00 -0.01 0.20 4.22 -0.49 -1.82 114.58 117.68 3kef h GLU 51 Ca 0.22 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.66 3kef h GLU 51 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3kef h GLU 51 CO -0.00 0.05 -0.36 0.54 -2.18 0.00 0.00 179.01 177.05 3kef n ARG 52 N -3.27 0.68 0.00 1.92 5.12 -0.61 -4.94 116.66 115.55 3kef n ARG 52 Ca -0.01 -0.43 0.00 0.00 -1.93 0.00 0.00 57.85 55.48 3kef n ARG 52 Cb 0.22 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.03 3kef n ARG 52 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3kef n GLY 53 N 1.39 0.98 3.75 -0.13 0.00 -0.68 -4.76 105.19 105.74 3kef n GLY 53 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 3kef n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kef s ALA 54 N -2.00 3.33 -0.24 4.61 0.00 -0.40 -3.05 121.76 124.01 3kef s ALA 54 Ca 0.00 0.53 -0.02 0.00 0.00 0.00 0.00 51.96 52.47 3kef s ALA 54 Cb 0.00 -3.17 0.02 0.00 0.00 0.00 0.00 23.12 19.97 3kef s ALA 54 CO 0.00 0.14 -0.05 0.42 0.00 0.00 0.00 175.76 176.27 3kef s ILE 55 N -0.72 3.02 -0.19 0.00 1.09 -0.24 -4.19 121.20 119.98 3kef s ILE 55 Ca 0.42 -0.88 -0.19 0.00 -1.10 0.00 0.00 60.65 58.90 3kef s ILE 55 Cb -0.24 -2.49 -0.03 0.00 -1.06 0.00 0.00 42.46 38.64 3kef s ILE 55 CO 0.30 0.26 0.54 -0.36 -0.10 0.00 0.00 174.94 175.58 3kef s PHE 56 N 1.37 3.39 0.32 3.97 0.40 -1.26 -0.99 117.98 125.18 3kef s PHE 56 Ca 0.02 0.83 0.08 0.00 -0.60 0.00 0.00 56.93 57.25 3kef s PHE 56 Cb -0.16 -2.69 -0.06 0.00 0.51 0.00 0.00 43.02 40.61 3kef s PHE 56 CO -0.04 -0.09 -0.06 0.96 0.70 0.00 0.00 175.22 176.68 3kef s ILE 57 N 1.60 1.94 -0.19 0.64 -5.25 -0.30 -4.92 121.20 114.71 3kef s ILE 57 Ca 0.26 -2.15 0.07 0.00 -0.99 0.00 0.00 60.65 57.84 3kef s ILE 57 Cb -0.16 -2.61 -0.22 0.00 2.95 0.00 0.00 42.46 42.43 3kef s ILE 57 CO 0.10 -0.21 0.07 -0.62 -1.79 0.00 0.00 174.94 172.49 3kef n GLU 58 N -0.72 0.68 -4.60 0.37 1.02 -1.26 -0.74 120.64 115.38 3kef n GLU 58 Ca -0.05 0.14 -0.24 0.00 -0.02 0.00 0.00 57.16 56.99 3kef n GLU 58 Cb 0.64 -1.58 -0.14 0.00 -0.02 0.00 0.00 31.44 30.33 3kef n GLU 58 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3kef s GLN 59 N -2.53 1.27 0.61 3.49 -0.21 -1.26 -4.78 119.66 116.25 3kef s GLN 59 Ca -0.21 -0.82 0.33 0.00 0.02 0.00 0.00 55.36 54.67 3kef s GLN 59 Cb 0.08 -1.32 1.90 0.00 1.00 0.00 0.00 33.01 34.66 3kef s GLN 59 CO 0.73 0.34 2.21 0.82 -2.12 0.00 0.00 175.29 177.26 3kef h ILE 60 N 4.47 0.35 0.00 1.08 5.03 -1.97 -0.40 117.51 126.07 3kef h ILE 60 Ca -0.40 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.34 3kef h ILE 60 Cb 1.16 0.92 0.00 0.00 -3.03 0.00 0.00 36.82 35.87 3kef h ILE 60 CO 0.45 0.00 0.00 -1.54 -0.68 0.00 0.00 178.15 176.38 3kef n SER 61 N -3.59 0.42 0.02 1.72 3.41 -1.26 -1.43 113.62 112.90 3kef n SER 61 Ca -0.01 0.62 0.13 0.00 -0.26 0.00 0.00 58.87 59.35 3kef n SER 61 Cb 0.18 -0.70 0.38 0.00 -0.26 0.00 0.00 64.21 63.80 3kef n SER 61 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3kef n GLU 62 N -1.98 0.07 -3.29 4.33 1.02 -0.16 -4.83 120.64 115.79 3kef n GLU 62 Ca 0.02 0.03 -0.38 0.00 -0.02 0.00 0.00 57.16 56.80 3kef n GLU 62 Cb 0.16 -1.55 -0.06 0.00 -0.02 0.00 0.00 31.44 29.96 3kef n GLU 62 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3kef s VAL 63 N -3.03 5.16 0.55 2.62 1.01 -0.51 -5.07 120.40 121.13 3kef s VAL 63 Ca 0.11 0.94 -0.18 0.00 0.00 0.00 0.00 61.98 62.85 3kef s VAL 63 Cb 0.17 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 3kef s VAL 63 CO 0.64 0.27 1.08 -2.84 0.00 0.00 0.00 175.10 174.25 3kef s PRO 64 N 1.02 3.41 0.63 2.72 0.02 -1.26 -5.00 135.00 136.53 3kef s PRO 64 Ca 0.25 1.42 -0.18 0.00 0.02 0.00 0.00 61.00 62.50 3kef s PRO 64 Cb -0.15 -2.03 -0.02 0.00 0.02 0.00 0.00 34.50 32.32 3kef s PRO 64 CO 0.10 -0.77 1.29 -0.51 -0.33 0.00 0.00 177.00 176.78 3kef s ASP 65 N -2.16 4.75 0.00 2.53 1.11 -1.26 -2.64 116.67 119.00 3kef s ASP 65 Ca 0.68 2.60 0.00 0.00 0.18 0.00 0.00 52.55 56.02 3kef s ASP 65 Cb -0.19 -2.62 0.00 0.00 1.07 0.00 0.00 42.92 41.18 3kef s ASP 65 CO 0.29 -1.91 0.00 0.61 1.18 0.00 0.00 175.17 175.34 3kef n GLY 66 N 0.83 1.31 3.95 0.21 0.00 0.18 -5.02 105.19 106.64 3kef n GLY 66 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 3kef n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kef s ALA 67 N -3.82 3.21 -0.21 4.61 0.00 -1.08 -4.83 121.76 119.64 3kef s ALA 67 Ca 0.00 -1.15 -0.08 0.00 0.00 0.00 0.00 51.96 50.73 3kef s ALA 67 Cb 0.00 -2.46 -0.04 0.00 0.00 0.00 0.00 23.12 20.62 3kef s ALA 67 CO 0.00 -1.43 0.07 0.42 0.00 0.00 0.00 175.76 174.82 3kef s ILE 68 N -3.27 4.66 -0.02 0.00 -1.09 -1.26 -1.53 121.20 118.69 3kef s ILE 68 Ca 0.63 -0.07 0.07 0.00 -2.23 0.00 0.00 60.65 59.05 3kef s ILE 68 Cb -0.09 -3.13 -0.02 0.00 -1.58 0.00 0.00 42.46 37.64 3kef s ILE 68 CO 0.45 0.41 -0.25 -0.22 -1.23 0.00 0.00 174.94 174.11 3kef s LEU 69 N 0.82 2.05 -0.08 2.97 2.96 0.32 -1.20 118.68 126.53 3kef s LEU 69 Ca 0.04 -0.45 0.03 0.00 -0.22 0.00 0.00 54.13 53.53 3kef s LEU 69 Cb -0.14 -1.27 0.00 0.00 0.50 0.00 0.00 46.19 45.29 3kef s LEU 69 CO 0.02 0.30 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.54 3kef s ILE 70 N -0.55 1.59 0.21 6.68 1.01 0.31 -1.08 121.20 129.37 3kef s ILE 70 Ca 0.09 -0.76 -0.24 0.00 0.00 0.00 0.00 60.65 59.74 3kef s ILE 70 Cb -0.10 -1.40 -0.08 0.00 0.01 0.00 0.00 42.46 40.89 3kef s ILE 70 CO -0.01 0.46 0.78 -0.36 0.00 0.00 0.00 174.94 175.81 3kef s PHE 71 N 0.42 3.80 0.96 3.97 2.99 -0.73 -1.45 117.98 127.93 3kef s PHE 71 Ca -0.15 1.58 -0.12 0.00 0.00 0.00 0.00 56.93 58.25 3kef s PHE 71 Cb -0.16 -2.75 0.17 0.00 0.00 0.00 0.00 43.02 40.28 3kef s PHE 71 CO 0.06 0.42 1.09 -1.54 -0.00 0.00 0.00 175.22 175.25 3kef s SER 72 N -1.37 2.94 0.63 1.36 1.04 -1.23 -1.77 113.70 115.30 3kef s SER 72 Ca 0.40 1.31 0.41 0.00 0.48 0.00 0.00 55.95 58.54 3kef s SER 72 Cb -0.21 -1.98 2.04 0.00 0.10 0.00 0.00 66.02 65.98 3kef s SER 72 CO 0.24 -2.95 2.23 0.00 0.98 0.00 0.00 173.24 173.75 3kef h ALA 73 N -1.76 1.00 0.00 5.32 0.00 -1.42 -2.52 119.26 119.87 3kef h ALA 73 Ca -0.53 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3kef h ALA 73 Cb 1.31 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3kef h ALA 73 CO 0.56 0.00 0.00 0.72 0.00 0.00 0.00 179.25 180.53 3kef n HIS 74 N -3.09 0.62 0.00 0.00 8.25 -1.26 -1.68 115.22 118.06 3kef n HIS 74 Ca -0.02 0.20 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 3kef n HIS 74 Cb 0.16 -0.82 0.00 0.00 1.12 0.00 0.00 29.99 30.45 3kef n HIS 74 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kef n GLY 75 N 0.99 -0.06 3.19 -1.41 0.00 -0.96 -4.10 105.19 102.84 3kef n GLY 75 Ca 0.05 -1.74 -0.12 0.00 0.00 0.00 0.00 46.02 44.22 3kef n GLY 75 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kef s VAL 76 N -2.48 0.68 0.83 1.61 -7.23 -1.26 -4.62 120.40 107.93 3kef s VAL 76 Ca 0.00 -1.95 -0.12 0.00 -1.81 0.00 0.00 61.98 58.10 3kef s VAL 76 Cb 0.00 -1.84 0.09 0.00 0.56 0.00 0.00 36.38 35.19 3kef s VAL 76 CO 0.00 -0.72 1.11 -0.94 -0.31 0.00 0.00 175.10 174.24 3kef s SER 77 N -3.09 4.18 0.32 4.85 1.04 -1.26 -4.74 113.70 115.00 3kef s SER 77 Ca 0.16 1.20 0.04 0.00 0.48 0.00 0.00 55.95 57.83 3kef s SER 77 Cb 0.06 -1.88 0.54 0.00 0.10 0.00 0.00 66.02 64.84 3kef s SER 77 CO -0.02 -2.16 1.81 1.56 0.98 0.00 0.00 173.24 175.42 3kef h GLN 78 N -1.22 0.46 -0.70 4.02 1.08 -1.62 -1.29 115.11 115.84 3kef h GLN 78 Ca -0.48 -0.13 0.00 0.00 -1.45 0.00 0.00 58.65 56.59 3kef h GLN 78 Cb 1.29 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 28.63 3kef h GLN 78 CO 0.60 0.59 0.44 0.00 -0.95 0.00 0.00 178.83 179.51 3kef h ALA 79 N 1.44 0.89 -0.34 3.87 0.00 -1.93 0.25 119.26 123.43 3kef h ALA 79 Ca 0.08 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 3kef h ALA 79 Cb 0.49 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3kef h ALA 79 CO 0.03 0.34 -0.37 0.28 0.00 0.00 0.00 179.25 179.53 3kef h VAL 80 N 0.95 1.28 -0.56 0.00 2.07 -1.83 -1.81 116.25 116.35 3kef h VAL 80 Ca 0.25 -1.54 -0.02 0.00 0.82 0.00 0.00 66.70 66.21 3kef h VAL 80 Cb -0.07 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 3kef h VAL 80 CO -0.05 0.51 0.26 -0.09 0.02 0.00 0.00 177.57 178.22 3kef h ARG 81 N 0.65 0.81 -0.12 1.57 2.43 -0.79 -1.96 114.38 116.98 3kef h ARG 81 Ca 0.05 -0.13 -0.10 0.00 -0.81 0.00 0.00 59.98 59.00 3kef h ARG 81 Cb 0.96 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.35 3kef h ARG 81 CO 0.09 0.67 -0.36 -0.91 -1.51 0.00 0.00 179.97 177.95 3kef h ASN 82 N 0.76 0.24 -0.40 -3.80 2.35 -0.48 -1.21 115.58 113.03 3kef h ASN 82 Ca 0.19 -0.09 -0.04 0.00 -0.55 0.00 0.00 56.30 55.81 3kef h ASN 82 Cb 0.13 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 3kef h ASN 82 CO -0.02 0.60 0.10 -0.08 -1.65 0.00 0.00 177.43 176.37 3kef h GLU 83 N 0.20 0.64 -0.53 0.81 4.81 -0.95 -2.05 114.58 117.52 3kef h GLU 83 Ca 0.02 -0.15 -0.10 0.00 -0.13 0.00 0.00 59.36 59.00 3kef h GLU 83 Cb 0.74 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 3kef h GLU 83 CO 0.06 0.66 -0.08 0.00 -0.73 0.00 0.00 179.01 178.92 3kef h ALA 84 N 0.95 0.86 -0.31 2.92 0.00 -1.14 -2.86 119.26 119.68 3kef h ALA 84 Ca 0.13 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 3kef h ALA 84 Cb 0.31 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3kef h ALA 84 CO 0.00 0.65 0.00 0.87 0.00 0.00 0.00 179.25 180.78 3kef h LYS 85 N 0.87 0.47 0.00 0.00 1.57 -1.01 -2.13 116.57 116.34 3kef h LYS 85 Ca 0.14 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3kef h LYS 85 Cb 0.62 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.86 3kef h LYS 85 CO 0.04 0.50 -0.08 -1.13 -0.57 0.00 0.00 179.45 178.21 3kef n SER 86 N -4.30 0.35 -4.91 0.86 3.41 -0.79 -4.86 113.62 103.38 3kef n SER 86 Ca 0.01 0.44 -0.27 0.00 -0.26 0.00 0.00 58.87 58.79 3kef n SER 86 Cb 0.23 -0.49 -0.01 0.00 -0.26 0.00 0.00 64.21 63.68 3kef n SER 86 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3kef s ARG 87 N -3.04 3.56 -1.34 4.33 1.81 -0.80 -4.98 118.95 118.48 3kef s ARG 87 Ca 0.12 0.12 -0.11 0.00 -1.72 0.00 0.00 55.73 54.14 3kef s ARG 87 Cb 0.16 -2.45 0.12 0.00 -0.45 0.00 0.00 34.95 32.34 3kef s ARG 87 CO 0.58 -0.09 1.99 -3.47 -0.68 0.00 0.00 175.30 173.63 3kef n ASP 88 N -1.97 4.65 -4.12 0.23 4.64 -1.26 -4.90 116.55 113.82 3kef n ASP 88 Ca -0.00 -3.01 -0.11 0.00 -1.38 0.00 0.00 54.79 50.28 3kef n ASP 88 Cb 0.55 -1.55 -0.11 0.00 -1.04 0.00 0.00 41.12 38.97 3kef n ASP 88 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 3kef s LEU 89 N 0.81 2.39 -0.33 -2.67 1.43 -1.26 0.49 118.68 119.55 3kef s LEU 89 Ca 0.43 -0.79 -0.12 0.00 -1.03 0.00 0.00 54.13 52.61 3kef s LEU 89 Cb 0.11 -0.10 -0.02 0.00 0.03 0.00 0.00 46.19 46.21 3kef s LEU 89 CO -0.03 -0.35 0.23 -0.89 0.23 0.00 0.00 176.35 175.54 3kef s THR 90 N -2.60 5.25 -0.13 5.49 2.01 -0.59 -4.99 115.64 120.09 3kef s THR 90 Ca 0.01 -0.15 -0.03 0.00 0.31 0.00 0.00 61.69 61.84 3kef s THR 90 Cb -0.02 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.81 3kef s THR 90 CO -0.03 0.05 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.24 3kef s VAL 91 N 1.72 4.02 -0.13 3.82 1.01 -1.26 -0.52 120.40 129.06 3kef s VAL 91 Ca 0.06 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 61.74 3kef s VAL 91 Cb -0.17 -2.73 0.01 0.00 0.00 0.00 0.00 36.38 33.49 3kef s VAL 91 CO 0.10 0.53 -0.21 -0.36 0.00 0.00 0.00 175.10 175.17 3kef s PHE 92 N -0.07 2.50 -0.46 5.22 0.08 -0.24 -4.98 117.98 120.02 3kef s PHE 92 Ca 0.02 -1.21 -0.18 0.00 0.12 0.00 0.00 56.93 55.68 3kef s PHE 92 Cb -0.13 -1.71 0.05 0.00 -0.57 0.00 0.00 43.02 40.65 3kef s PHE 92 CO 0.02 -0.55 0.51 0.34 -0.10 0.00 0.00 175.22 175.44 3kef s ASP 93 N 0.77 6.20 -0.03 1.36 3.68 -1.26 -1.78 116.67 125.62 3kef s ASP 93 Ca -0.09 -0.88 0.12 0.00 2.13 0.00 0.00 52.55 53.83 3kef s ASP 93 Cb -0.16 -2.25 0.38 0.00 -1.45 0.00 0.00 42.92 39.45 3kef s ASP 93 CO -0.00 -0.72 1.28 0.00 0.13 0.00 0.00 175.17 175.86 3kef n ALA 94 N 5.77 2.60 -1.68 3.66 0.00 -0.73 -4.92 120.51 125.21 3kef n ALA 94 Ca -0.08 -0.79 -0.44 0.00 0.00 0.00 0.00 53.44 52.13 3kef n ALA 94 Cb 0.46 -0.99 -0.03 0.00 0.00 0.00 0.00 19.45 18.89 3kef n ALA 94 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3kef n THR 95 N 0.63 0.82 -2.03 0.00 -1.04 -1.17 -3.68 114.28 107.81 3kef n THR 95 Ca 0.14 -0.21 -0.41 0.00 -2.04 0.00 0.00 64.05 61.53 3kef n THR 95 Cb 0.43 -1.55 -0.02 0.00 -1.82 0.00 0.00 70.33 67.37 3kef n THR 95 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kef h PRO 97 N 4.26 0.20 0.00 0.00 0.11 -1.92 0.12 132.00 134.77 3kef h PRO 97 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3kef h PRO 97 Cb 1.22 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3kef h PRO 97 CO 0.72 0.13 0.00 -0.07 -0.21 0.00 0.00 178.00 178.57 3kef h LEU 98 N 0.21 0.00 0.11 2.35 3.38 -1.98 -0.59 115.31 118.79 3kef h LEU 98 Ca 0.37 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 58.03 3kef h LEU 98 Cb 1.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 3kef h LEU 98 CO -0.07 0.00 -1.64 0.58 0.09 0.00 0.00 178.44 177.40 3kef h VAL 99 N 0.00 0.86 -0.80 1.22 2.07 -1.16 -3.32 116.25 115.11 3kef h VAL 99 Ca 0.00 -2.36 0.09 0.00 0.82 0.00 0.00 66.70 65.25 3kef h VAL 99 Cb 0.60 2.57 -0.05 0.00 -1.52 0.00 0.00 31.29 32.89 3kef h VAL 99 CO 0.00 0.73 0.52 0.74 0.02 0.00 0.00 177.57 179.59 3kef h THR 100 N -0.23 0.97 -0.47 2.57 2.02 -1.02 -0.95 112.91 115.80 3kef h THR 100 Ca -0.36 -0.27 0.07 0.00 0.77 0.00 0.00 66.41 66.62 3kef h THR 100 Cb 1.83 0.13 -0.06 0.00 -1.74 0.00 0.00 68.15 68.31 3kef h THR 100 CO 0.04 0.14 0.16 0.50 0.37 0.00 0.00 175.52 176.73 3kef h LYS 101 N 0.77 0.32 -0.52 6.66 3.64 -1.21 -0.35 116.57 125.89 3kef h LYS 101 Ca 0.36 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.60 3kef h LYS 101 Cb 0.39 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 3kef h LYS 101 CO -0.14 0.21 -0.16 0.28 -2.27 0.00 0.00 179.45 177.37 3kef h VAL 102 N 0.33 1.27 -0.75 2.00 2.07 -1.32 -2.86 116.25 116.98 3kef h VAL 102 Ca 0.23 -1.32 0.11 0.00 0.82 0.00 0.00 66.70 66.54 3kef h VAL 102 Cb 0.24 1.04 -0.08 0.00 -1.52 0.00 0.00 31.29 30.97 3kef h VAL 102 CO -0.24 0.46 0.36 0.45 0.02 0.00 0.00 177.57 178.62 3kef h HIS 103 N 0.89 0.64 -0.81 1.57 3.86 -0.27 -1.69 115.15 119.34 3kef h HIS 103 Ca 0.13 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.40 3kef h HIS 103 Cb 0.74 -0.17 -0.05 0.00 1.06 0.00 0.00 27.41 28.99 3kef h HIS 103 CO 0.05 0.19 0.52 0.52 0.86 0.00 0.00 177.93 180.07 3kef h MET 104 N 0.58 0.99 -0.26 2.45 2.07 -0.87 -1.39 114.93 118.50 3kef h MET 104 Ca 0.39 -0.06 -0.11 0.00 -2.07 0.00 0.00 59.70 57.84 3kef h MET 104 Cb 0.47 -0.22 -0.01 0.00 -1.87 0.00 0.00 31.60 29.97 3kef h MET 104 CO -0.31 0.66 -0.32 0.93 1.07 0.00 0.00 176.91 178.94 3kef h GLU 105 N 1.02 0.54 -0.41 1.72 4.39 -1.24 -1.65 114.58 118.96 3kef h GLU 105 Ca 0.32 -0.24 -0.13 0.00 0.34 0.00 0.00 59.36 59.65 3kef h GLU 105 Cb -0.01 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 3kef h GLU 105 CO -0.11 0.80 -0.25 0.28 -1.16 0.00 0.00 179.01 178.57 3kef h VAL 106 N 0.47 1.28 -0.50 3.13 2.07 -0.97 -1.83 116.25 119.89 3kef h VAL 106 Ca 0.06 -1.41 -0.06 0.00 0.82 0.00 0.00 66.70 66.11 3kef h VAL 106 Cb 0.78 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 3kef h VAL 106 CO 0.06 0.47 0.08 0.00 0.02 0.00 0.00 177.57 178.21 3kef h ALA 107 N 0.81 1.20 -0.25 1.67 0.00 -1.14 -0.93 119.26 120.63 3kef h ALA 107 Ca 0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3kef h ALA 107 Cb 0.83 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3kef h ALA 107 CO 0.07 0.54 0.11 -0.09 0.00 0.00 0.00 179.25 179.88 3kef h ARG 108 N 0.75 0.36 -0.54 0.00 2.43 -1.08 -0.93 114.38 115.37 3kef h ARG 108 Ca 0.16 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 3kef h ARG 108 Cb 0.34 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 3kef h ARG 108 CO 0.01 0.38 0.25 0.00 -1.51 0.00 0.00 179.97 179.09 3kef h ALA 109 N 0.96 0.70 -0.88 2.80 0.00 -0.96 -2.14 119.26 119.75 3kef h ALA 109 Ca 0.08 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3kef h ALA 109 Cb 0.14 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 3kef h ALA 109 CO -0.01 0.28 0.58 1.03 0.00 0.00 0.00 179.25 181.13 3kef h SER 110 N 0.74 0.99 -0.41 0.00 0.87 -0.96 0.61 113.55 115.38 3kef h SER 110 Ca 0.19 -0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.74 3kef h SER 110 Cb 0.14 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 3kef h SER 110 CO -0.02 0.70 0.26 -0.09 -0.53 0.00 0.00 176.83 177.15 3kef h ARG 111 N 1.16 0.52 0.00 2.24 2.43 -0.83 -1.50 114.38 118.41 3kef h ARG 111 Ca 0.33 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 3kef h ARG 111 Cb -0.08 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.35 3kef h ARG 111 CO -0.09 0.34 0.00 0.54 -1.51 0.00 0.00 179.97 179.25 3kef n ARG 112 N -4.82 0.04 -1.17 0.20 1.74 -0.84 -4.89 116.66 106.92 3kef n ARG 112 Ca 0.01 0.14 -0.06 0.00 -0.77 0.00 0.00 57.85 57.17 3kef n ARG 112 Cb 0.03 -1.56 -0.02 0.00 -1.02 0.00 0.00 32.46 29.89 3kef n ARG 112 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kef n GLY 113 N 0.86 0.81 3.84 -0.13 0.00 0.13 -5.01 105.19 105.69 3kef n GLY 113 Ca 0.05 -0.55 -0.38 0.00 0.00 0.00 0.00 46.02 45.14 3kef n GLY 113 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kef s GLU 114 N -2.20 3.84 0.54 1.61 -1.05 -0.71 -4.05 118.70 116.67 3kef s GLU 114 Ca 0.00 0.31 -0.20 0.00 -0.15 0.00 0.00 54.97 54.92 3kef s GLU 114 Cb 0.00 -3.22 -0.05 0.00 -0.44 0.00 0.00 34.13 30.42 3kef s GLU 114 CO 0.00 0.69 1.22 -1.21 0.95 0.00 0.00 175.26 176.91 3kef s GLU 115 N -1.01 3.26 0.04 -4.83 2.02 -1.21 -4.40 118.70 112.57 3kef s GLU 115 Ca 0.22 1.86 0.04 0.00 0.02 0.00 0.00 54.97 57.11 3kef s GLU 115 Cb -0.16 -2.13 -0.02 0.00 0.10 0.00 0.00 34.13 31.93 3kef s GLU 115 CO 0.11 -0.99 -0.12 -1.12 0.02 0.00 0.00 175.26 173.17 3kef s SER 116 N -1.43 1.41 -0.13 -0.19 0.01 -0.54 -2.05 113.70 110.78 3kef s SER 116 Ca 0.72 -0.46 0.02 0.00 1.31 0.00 0.00 55.95 57.54 3kef s SER 116 Cb -0.31 -0.07 0.01 0.00 0.21 0.00 0.00 66.02 65.86 3kef s SER 116 CO 0.35 -0.02 -0.21 -0.63 0.41 0.00 0.00 173.24 173.14 3kef s ILE 117 N -0.94 2.18 -0.16 1.44 -1.09 0.82 -1.32 121.20 122.13 3kef s ILE 117 Ca -0.01 -0.95 -0.05 0.00 -2.23 0.00 0.00 60.65 57.41 3kef s ILE 117 Cb -0.08 -1.87 -0.03 0.00 -1.58 0.00 0.00 42.46 38.90 3kef s ILE 117 CO 0.01 0.55 0.01 -0.22 -1.23 0.00 0.00 174.94 174.05 3kef s LEU 118 N 0.69 3.51 -0.30 2.97 0.20 0.81 -0.85 118.68 125.71 3kef s LEU 118 Ca -0.10 -0.01 -0.14 0.00 0.69 0.00 0.00 54.13 54.57 3kef s LEU 118 Cb -0.16 -1.86 -0.03 0.00 -0.43 0.00 0.00 46.19 43.71 3kef s LEU 118 CO 0.01 0.20 0.34 -0.63 -0.29 0.00 0.00 176.35 175.97 3kef s ILE 119 N 0.22 5.20 0.01 6.68 1.01 -0.17 -1.24 121.20 132.90 3kef s ILE 119 Ca 0.01 0.26 -0.20 0.00 0.00 0.00 0.00 60.65 60.71 3kef s ILE 119 Cb -0.13 -3.73 0.07 0.00 0.01 0.00 0.00 42.46 38.68 3kef s ILE 119 CO 0.02 0.06 0.93 0.61 0.00 0.00 0.00 174.94 176.56 3kef n GLY 120 N 4.88 0.39 3.56 6.18 0.00 -0.85 -0.95 105.19 118.40 3kef n GLY 120 Ca -0.10 -1.01 -0.36 0.00 0.00 0.00 0.00 46.02 44.55 3kef n GLY 120 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kef s HIS 121 N -2.42 3.19 0.34 1.61 3.76 -1.26 -4.17 115.29 116.34 3kef s HIS 121 Ca 0.22 -0.08 -0.28 0.00 -0.15 0.00 0.00 55.06 54.77 3kef s HIS 121 Cb -0.01 -2.23 -0.12 0.00 1.11 0.00 0.00 32.58 31.33 3kef s HIS 121 CO 0.00 -0.12 1.27 0.00 -0.85 0.00 0.00 174.74 175.04 3kef n ALA 122 N 4.50 1.20 0.00 -1.40 0.00 -1.26 -2.44 120.51 121.11 3kef n ALA 122 Ca -0.16 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.64 3kef n ALA 122 Cb 0.52 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.73 3kef n ALA 122 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kef n GLY 123 N 0.80 3.26 3.75 0.00 0.00 -1.26 -5.04 105.19 106.70 3kef n GLY 123 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3kef n GLY 123 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3kef s HIS 124 N -2.31 3.30 0.41 1.61 5.04 -1.02 -4.91 115.29 117.41 3kef s HIS 124 Ca 0.00 1.40 0.12 0.00 -1.54 0.00 0.00 55.06 55.04 3kef s HIS 124 Cb 0.00 -3.52 0.94 0.00 0.04 0.00 0.00 32.58 30.04 3kef s HIS 124 CO 0.00 -1.47 1.95 -1.00 -2.34 0.00 0.00 174.74 171.88 3kef h PRO 125 N 4.54 0.51 -0.63 2.88 0.13 -1.94 -1.10 132.00 136.39 3kef h PRO 125 Ca -0.46 -0.03 -0.08 0.00 -0.87 0.00 0.00 66.00 64.56 3kef h PRO 125 Cb 1.22 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 3kef h PRO 125 CO 0.72 0.34 0.07 1.49 -0.23 0.00 0.00 178.00 180.38 3kef h GLU 126 N 0.52 1.07 -0.62 0.86 4.81 -1.86 -0.58 114.58 118.77 3kef h GLU 126 Ca 0.32 -0.30 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 3kef h GLU 126 Cb 0.55 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 3kef h GLU 126 CO -0.10 1.01 0.18 0.28 -0.73 0.00 0.00 179.01 179.64 3kef h VAL 127 N 0.98 1.25 -0.24 0.32 2.07 -1.55 0.28 116.25 119.36 3kef h VAL 127 Ca 0.19 -0.87 -0.00 0.00 0.82 0.00 0.00 66.70 66.83 3kef h VAL 127 Cb 0.48 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 3kef h VAL 127 CO 0.02 0.33 0.15 -0.08 0.02 0.00 0.00 177.57 178.01 3kef h GLU 128 N 0.89 0.33 -0.59 1.57 4.81 -1.01 -0.18 114.58 120.41 3kef h GLU 128 Ca 0.20 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.31 3kef h GLU 128 Cb 0.32 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 3kef h GLU 128 CO -0.00 0.26 0.02 0.78 -0.73 0.00 0.00 179.01 179.34 3kef h GLY 129 N 0.31 1.10 0.83 1.92 0.00 -0.87 -0.74 103.07 105.61 3kef h GLY 129 Ca 0.09 -0.79 -0.09 0.00 0.00 0.00 0.00 47.33 46.53 3kef h GLY 129 CO -0.02 0.73 -0.26 -0.84 0.00 0.00 0.00 176.54 176.16 3kef h THR 130 N 0.91 1.34 0.00 4.70 2.02 -0.80 -2.73 112.91 118.35 3kef h THR 130 Ca 0.17 -1.47 -0.05 0.00 0.77 0.00 0.00 66.41 65.83 3kef h THR 130 Cb 0.52 1.87 -0.01 0.00 -1.74 0.00 0.00 68.15 68.79 3kef h THR 130 CO 0.03 0.44 -0.22 0.24 0.37 0.00 0.00 175.52 176.38 3kef h MET 131 N 0.14 0.00 0.00 6.66 2.86 -1.05 -2.09 114.93 121.45 3kef h MET 131 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3kef h MET 131 Cb 0.83 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.49 3kef h MET 131 CO 0.06 0.22 0.00 0.41 1.06 0.00 0.00 176.91 178.66 3kef n GLY 132 N -0.33 -0.66 0.00 8.32 0.00 -0.29 -2.11 105.19 110.11 3kef n GLY 132 Ca -0.01 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.04 3kef n GLY 132 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kef n GLN 133 N -0.78 0.01 -3.50 1.61 1.13 -0.78 -1.83 117.38 113.24 3kef n GLN 133 Ca 0.09 -0.00 -0.37 0.00 -1.94 0.00 0.00 57.00 54.77 3kef n GLN 133 Cb 0.04 -1.50 -0.08 0.00 0.11 0.00 0.00 30.24 28.81 3kef n GLN 133 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 3kef s TYR 134 N -3.01 3.35 0.00 1.08 5.04 -0.90 -4.16 117.35 118.76 3kef s TYR 134 Ca 0.09 0.46 0.00 0.00 -2.44 0.00 0.00 57.07 55.18 3kef s TYR 134 Cb 0.17 -2.42 0.00 0.00 0.35 0.00 0.00 41.96 40.05 3kef s TYR 134 CO 0.80 0.02 0.00 -1.13 -1.34 0.00 0.00 175.55 173.89 3kef n SER 135 N 4.41 3.11 -4.59 4.32 3.41 -1.26 -5.03 113.62 117.98 3kef n SER 135 Ca -0.11 0.00 -0.45 0.00 -0.26 0.00 0.00 58.87 58.05 3kef n SER 135 Cb 0.51 0.47 -0.04 0.00 -0.26 0.00 0.00 64.21 64.89 3kef n SER 135 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3kef n ASN 136 N -1.18 3.20 0.24 4.04 4.05 -1.26 -4.85 115.26 119.50 3kef n ASN 136 Ca 0.00 0.38 0.08 0.00 0.45 0.00 0.00 54.58 55.49 3kef n ASN 136 Cb 0.15 -1.49 0.59 0.00 1.23 0.00 0.00 39.78 40.26 3kef n ASN 136 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 3kef h PRO 137 N 13.65 0.00 0.00 1.20 0.11 -1.96 -2.26 132.00 142.74 3kef h PRO 137 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3kef h PRO 137 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3kef h PRO 137 CO 0.97 0.15 0.00 0.39 -0.21 0.00 0.00 178.00 179.30 3kef n GLU 138 N -4.14 0.15 0.00 1.05 1.02 -1.26 -4.73 120.64 112.73 3kef n GLU 138 Ca -0.02 0.31 0.00 0.00 -0.02 0.00 0.00 57.16 57.42 3kef n GLU 138 Cb 0.23 -1.75 0.00 0.00 -0.02 0.00 0.00 31.44 29.90 3kef n GLU 138 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kef n GLY 139 N 0.42 1.83 0.00 0.62 0.00 -0.85 -4.95 105.19 102.26 3kef n GLY 139 Ca 0.04 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.12 3kef n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kef n GLY 140 N 5.00 1.05 2.87 -0.02 0.00 -1.26 -4.91 105.19 107.91 3kef n GLY 140 Ca 0.00 -0.21 -0.28 0.00 0.00 0.00 0.00 46.02 45.53 3kef n GLY 140 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3kef s MET 141 N -1.81 1.31 0.13 1.61 0.00 -1.26 -1.47 119.30 117.81 3kef s MET 141 Ca 0.00 -0.50 0.10 0.00 0.00 0.00 0.00 55.69 55.29 3kef s MET 141 Cb 0.00 -2.00 -0.04 0.00 0.00 0.00 0.00 34.83 32.79 3kef s MET 141 CO 0.00 -0.46 -0.22 0.71 0.00 0.00 0.00 175.02 175.06 3kef s TYR 142 N 1.66 2.44 -0.11 4.11 1.51 -0.44 -5.01 117.35 121.51 3kef s TYR 142 Ca 0.00 -0.31 0.01 0.00 -1.01 0.00 0.00 57.07 55.76 3kef s TYR 142 Cb -0.16 -1.30 -0.02 0.00 -0.11 0.00 0.00 41.96 40.38 3kef s TYR 142 CO -0.07 0.38 -0.15 -1.17 -1.11 0.00 0.00 175.55 173.43 3kef s LEU 143 N -2.16 2.64 0.00 -1.29 2.96 -1.26 -0.13 118.68 119.44 3kef s LEU 143 Ca 0.17 -0.33 0.04 0.00 -0.22 0.00 0.00 54.13 53.79 3kef s LEU 143 Cb -0.10 -1.57 -0.01 0.00 0.50 0.00 0.00 46.19 45.00 3kef s LEU 143 CO 0.09 0.20 -0.12 0.68 -1.32 0.00 0.00 176.35 175.87 3kef s VAL 144 N 0.14 0.96 -0.02 1.68 -7.23 -0.38 -4.95 120.40 110.59 3kef s VAL 144 Ca -0.07 -0.63 0.05 0.00 -1.81 0.00 0.00 61.98 59.52 3kef s VAL 144 Cb -0.15 -0.82 -0.08 0.00 0.56 0.00 0.00 36.38 35.89 3kef s VAL 144 CO 0.05 0.19 0.12 -0.62 -0.31 0.00 0.00 175.10 174.53 3kef n GLU 145 N 2.56 0.52 -4.07 4.82 1.02 -1.26 -2.00 120.64 122.23 3kef n GLU 145 Ca -0.15 -0.04 -0.10 0.00 -0.02 0.00 0.00 57.16 56.84 3kef n GLU 145 Cb 0.56 -1.10 -0.07 0.00 -0.02 0.00 0.00 31.44 30.81 3kef n GLU 145 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3kef s SER 146 N -2.51 0.03 0.32 1.62 1.04 -1.26 -4.90 113.70 108.04 3kef s SER 146 Ca -0.02 -1.10 0.02 0.00 0.48 0.00 0.00 55.95 55.33 3kef s SER 146 Cb 0.03 0.48 0.59 0.00 0.10 0.00 0.00 66.02 67.21 3kef s SER 146 CO 0.21 -0.98 1.95 -0.65 0.98 0.00 0.00 173.24 174.76 3kef h PRO 147 N 2.46 0.92 -0.78 4.02 0.11 -1.89 -1.27 132.00 135.57 3kef h PRO 147 Ca -0.31 -0.06 0.04 0.00 0.11 0.00 0.00 66.00 65.79 3kef h PRO 147 Cb 1.24 -0.21 -0.05 0.00 0.11 0.00 0.00 31.00 32.10 3kef h PRO 147 CO 0.45 0.61 0.48 0.22 -0.21 0.00 0.00 178.00 179.55 3kef h ASP 148 N 0.95 0.78 -0.03 -2.05 1.82 -1.98 -0.42 116.42 115.49 3kef h ASP 148 Ca 0.33 0.01 -0.03 0.00 -0.39 0.00 0.00 57.03 56.94 3kef h ASP 148 Cb 0.11 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 39.95 3kef h ASP 148 CO -0.10 0.52 -0.06 0.44 -1.61 0.00 0.00 179.24 178.43 3kef h ASP 149 N 0.92 0.20 -0.27 2.28 3.32 -1.64 -2.26 116.42 118.97 3kef h ASP 149 Ca 0.32 -0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.27 3kef h ASP 149 Cb 0.08 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 3kef h ASP 149 CO -0.14 0.29 -0.13 0.58 -1.72 0.00 0.00 179.24 178.12 3kef h VAL 150 N 0.21 1.30 -0.71 -1.35 2.07 -0.77 -2.42 116.25 114.59 3kef h VAL 150 Ca 0.05 -1.22 0.06 0.00 0.82 0.00 0.00 66.70 66.41 3kef h VAL 150 Cb 0.25 1.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 3kef h VAL 150 CO 0.01 0.38 0.47 -0.50 0.02 0.00 0.00 177.57 177.95 3kef h TRP 151 N 0.30 0.76 -0.01 1.57 -0.00 -0.69 -2.65 115.95 115.23 3kef h TRP 151 Ca 0.06 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 58.97 3kef h TRP 151 Cb 0.64 -0.25 0.00 0.00 -0.00 0.00 0.00 29.16 29.55 3kef h TRP 151 CO 0.06 0.41 -0.39 1.63 -0.00 0.00 0.00 178.44 180.15 3kef n LYS 152 N -4.47 0.62 -2.23 0.49 4.76 -0.99 -4.97 118.16 111.38 3kef n LYS 152 Ca 0.10 -0.40 -0.41 0.00 -2.87 0.00 0.00 58.31 54.73 3kef n LYS 152 Cb 0.21 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 31.88 3kef n LYS 152 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3kef s LEU 153 N -2.66 4.45 -0.16 -0.35 2.96 -0.92 -5.04 118.68 116.98 3kef s LEU 153 Ca 0.19 2.52 0.02 0.00 -0.22 0.00 0.00 54.13 56.64 3kef s LEU 153 Cb 0.18 -3.63 0.02 0.00 0.50 0.00 0.00 46.19 43.26 3kef s LEU 153 CO 0.59 -0.44 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.09 3kef s THR 154 N -0.83 2.01 0.30 3.68 2.01 -1.26 -5.06 115.64 116.48 3kef s THR 154 Ca 0.50 -0.93 0.11 0.00 0.31 0.00 0.00 61.69 61.68 3kef s THR 154 Cb -0.37 -1.80 -0.05 0.00 0.01 0.00 0.00 72.50 70.29 3kef s THR 154 CO 0.46 0.54 -0.17 0.68 -0.69 0.00 0.00 174.62 175.44 3kef s VAL 155 N 1.07 2.44 -0.01 3.82 -7.23 -1.26 -5.07 120.40 114.16 3kef s VAL 155 Ca -0.01 -2.34 -0.22 0.00 -1.81 0.00 0.00 61.98 57.59 3kef s VAL 155 Cb -0.14 -2.41 -0.19 0.00 0.56 0.00 0.00 36.38 34.19 3kef s VAL 155 CO -0.07 -0.34 1.19 0.11 -0.31 0.00 0.00 175.10 175.67 3kef h LYS 156 N 2.19 0.25 -2.93 4.82 1.57 -1.98 -3.43 116.57 117.06 3kef h LYS 156 Ca -0.41 -0.19 -0.49 0.00 -1.87 0.00 0.00 60.65 57.69 3kef h LYS 156 Cb 1.26 0.03 -0.41 0.00 0.08 0.00 0.00 32.23 33.20 3kef h LYS 156 CO 0.63 0.82 -0.76 1.21 -0.57 0.00 0.00 179.45 180.78 3kef s ASN 157 N -6.21 2.86 0.00 0.86 2.47 -1.26 -4.99 114.94 108.67 3kef s ASN 157 Ca -0.15 -0.91 0.20 0.00 0.42 0.00 0.00 52.86 52.42 3kef s ASN 157 Cb 0.03 -0.28 0.86 0.00 -1.45 0.00 0.00 41.25 40.41 3kef s ASN 157 CO 0.75 -0.39 1.63 -0.62 -3.72 0.00 0.00 177.10 174.74 3kef n GLU 158 N 5.27 0.05 0.12 0.43 1.02 -1.26 -2.72 120.64 123.55 3kef n GLU 158 Ca -0.07 0.15 -0.01 0.00 -0.02 0.00 0.00 57.16 57.22 3kef n GLU 158 Cb 0.46 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.42 3kef n GLU 158 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3kef h GLU 159 N 0.00 0.00 -3.05 3.49 4.39 -1.94 -3.38 114.58 114.09 3kef h GLU 159 Ca 0.00 0.00 -0.62 0.00 0.34 0.00 0.00 59.36 59.08 3kef h GLU 159 Cb 0.31 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 28.55 3kef h GLU 159 CO 0.00 0.67 -0.64 0.15 -1.16 0.00 0.00 179.01 178.03 3kef s LYS 160 N -3.06 2.09 0.02 2.33 1.02 -1.10 -4.92 119.74 116.12 3kef s LYS 160 Ca 0.02 -2.96 0.01 0.00 0.02 0.00 0.00 55.97 53.06 3kef s LYS 160 Cb 0.10 -3.08 -0.01 0.00 -0.52 0.00 0.00 37.83 34.32 3kef s LYS 160 CO 0.76 -1.26 -0.05 -1.17 -0.92 0.00 0.00 175.35 172.72 3kef s LEU 161 N -0.92 2.12 0.05 3.17 2.96 -1.26 -3.30 118.68 121.51 3kef s LEU 161 Ca 0.24 -0.28 -0.01 0.00 -0.22 0.00 0.00 54.13 53.86 3kef s LEU 161 Cb -0.09 -0.16 -0.04 0.00 0.50 0.00 0.00 46.19 46.40 3kef s LEU 161 CO -0.12 -0.07 -0.03 -0.94 -1.32 0.00 0.00 176.35 173.86 3kef s SER 162 N -0.75 0.54 0.11 3.68 1.04 -0.87 -1.07 113.70 116.37 3kef s SER 162 Ca -0.04 -0.96 0.03 0.00 0.48 0.00 0.00 55.95 55.46 3kef s SER 162 Cb -0.05 0.18 -0.04 0.00 0.10 0.00 0.00 66.02 66.21 3kef s SER 162 CO -0.00 -0.56 -0.09 0.72 0.98 0.00 0.00 173.24 174.29 3kef s PHE 163 N -3.67 1.02 0.20 5.02 -0.12 -0.20 -0.13 117.98 120.11 3kef s PHE 163 Ca 0.05 -0.77 -0.03 0.00 -0.05 0.00 0.00 56.93 56.14 3kef s PHE 163 Cb 0.06 -0.56 -0.03 0.00 -0.63 0.00 0.00 43.02 41.86 3kef s PHE 163 CO -0.09 -0.04 0.18 -1.64 -0.05 0.00 0.00 175.22 173.58 3kef s MET 164 N -3.33 1.23 0.10 1.99 -1.94 -0.03 -4.51 119.30 112.81 3kef s MET 164 Ca 0.10 -1.55 -0.00 0.00 -1.71 0.00 0.00 55.69 52.52 3kef s MET 164 Cb 0.01 0.30 -0.04 0.00 2.01 0.00 0.00 34.83 37.11 3kef s MET 164 CO -0.02 -0.42 0.01 0.95 -0.01 0.00 0.00 175.02 175.53 3kef s THR 165 N -4.13 0.26 0.55 2.05 -4.23 -1.26 -1.00 115.64 107.88 3kef s THR 165 Ca 0.35 -1.88 -0.18 0.00 -1.18 0.00 0.00 61.69 58.79 3kef s THR 165 Cb 0.06 -1.83 -0.06 0.00 1.34 0.00 0.00 72.50 72.01 3kef s THR 165 CO 0.11 -0.69 1.08 -1.58 -0.54 0.00 0.00 174.62 173.00 3kef s GLN 166 N -3.97 3.43 0.33 3.99 0.74 -0.13 -4.64 119.66 119.41 3kef s GLN 166 Ca 0.17 1.43 0.25 0.00 0.05 0.00 0.00 55.36 57.26 3kef s GLN 166 Cb 0.07 -2.03 0.64 0.00 1.10 0.00 0.00 33.01 32.79 3kef s GLN 166 CO -0.03 -0.75 1.71 1.79 -0.55 0.00 0.00 175.29 177.46 3kef h THR 167 N 1.04 0.00 -0.26 -0.34 1.35 -1.92 -3.36 112.91 109.42 3kef h THR 167 Ca -0.49 -0.70 -0.06 0.00 -0.55 0.00 0.00 66.41 64.62 3kef h THR 167 Cb 1.24 1.69 -0.03 0.00 -1.73 0.00 0.00 68.15 69.31 3kef h THR 167 CO 0.57 0.00 -0.02 0.35 -0.25 0.00 0.00 175.52 176.17 3kef n THR 168 N -2.67 2.33 -1.76 6.82 -2.24 -1.26 -2.03 114.28 113.47 3kef n THR 168 Ca 0.04 -2.19 -0.29 0.00 -2.27 0.00 0.00 64.05 59.35 3kef n THR 168 Cb 0.46 -0.28 0.10 0.00 -2.10 0.00 0.00 70.33 68.51 3kef n THR 168 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3kef s LEU 169 N -2.97 2.42 0.02 3.22 1.43 -1.26 -4.06 118.68 117.48 3kef s LEU 169 Ca 0.42 0.93 -0.30 0.00 -1.03 0.00 0.00 54.13 54.15 3kef s LEU 169 Cb 0.36 -3.43 -0.06 0.00 0.03 0.00 0.00 46.19 43.09 3kef s LEU 169 CO 0.05 -2.02 1.39 -0.55 0.23 0.00 0.00 176.35 175.45 3kef s SER 170 N -4.32 6.85 0.15 2.29 0.15 -1.26 -4.91 113.70 112.65 3kef s SER 170 Ca 0.62 2.14 -0.17 0.00 0.70 0.00 0.00 55.95 59.24 3kef s SER 170 Cb -0.12 -2.56 0.01 0.00 -1.71 0.00 0.00 66.02 61.63 3kef s SER 170 CO 0.51 -0.70 1.80 0.58 1.20 0.00 0.00 173.24 176.62 3kef h VAL 171 N 4.82 1.05 -0.23 4.45 2.07 -1.94 -1.17 116.25 125.30 3kef h VAL 171 Ca -0.39 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 3kef h VAL 171 Cb 1.18 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 3kef h VAL 171 CO 0.89 0.08 0.08 0.44 0.02 0.00 0.00 177.57 179.08 3kef h ASP 172 N 0.44 0.34 -0.65 0.57 3.32 -2.00 -1.91 116.42 116.53 3kef h ASP 172 Ca 0.14 -0.20 -0.06 0.00 0.02 0.00 0.00 57.03 56.93 3kef h ASP 172 Cb -0.01 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 3kef h ASP 172 CO -0.05 0.45 0.17 0.44 -1.72 0.00 0.00 179.24 178.53 3kef h ASP 173 N 0.21 0.98 -0.26 6.45 3.45 -1.94 -2.57 116.42 122.73 3kef h ASP 173 Ca 0.08 -0.23 -0.06 0.00 0.43 0.00 0.00 57.03 57.26 3kef h ASP 173 Cb 0.23 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 38.72 3kef h ASP 173 CO -0.00 0.95 -0.01 0.74 -1.57 0.00 0.00 179.24 179.34 3kef h THR 174 N 0.96 1.21 -0.90 0.35 2.02 -1.16 -2.12 112.91 113.27 3kef h THR 174 Ca 0.21 -0.85 0.04 0.00 0.77 0.00 0.00 66.41 66.58 3kef h THR 174 Cb 0.34 0.94 -0.05 0.00 -1.74 0.00 0.00 68.15 67.64 3kef h THR 174 CO -0.00 0.29 0.58 -1.28 0.37 0.00 0.00 175.52 175.48 3kef h SER 175 N 0.55 0.97 -0.66 4.18 0.87 -0.95 0.02 113.55 118.53 3kef h SER 175 Ca 0.11 -0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.62 3kef h SER 175 Cb 0.36 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.08 3kef h SER 175 CO 0.01 0.66 0.24 0.44 -0.53 0.00 0.00 176.83 177.65 3kef h ASP 176 N 1.13 0.93 -0.50 6.23 3.45 -1.15 -0.81 116.42 125.70 3kef h ASP 176 Ca 0.36 -0.19 -0.11 0.00 0.43 0.00 0.00 57.03 57.52 3kef h ASP 176 Cb 0.01 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 38.53 3kef h ASP 176 CO -0.12 0.87 -0.13 0.58 -1.57 0.00 0.00 179.24 178.86 3kef h VAL 177 N 0.94 1.27 -0.47 -1.35 2.07 -0.95 -2.33 116.25 115.41 3kef h VAL 177 Ca 0.22 -1.28 -0.10 0.00 0.82 0.00 0.00 66.70 66.36 3kef h VAL 177 Cb 0.25 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 3kef h VAL 177 CO -0.01 0.44 -0.09 0.40 0.02 0.00 0.00 177.57 178.33 3kef h ILE 178 N 0.82 1.26 -0.84 4.57 2.04 -0.81 -0.12 117.51 124.44 3kef h ILE 178 Ca 0.12 -1.18 0.00 0.00 1.00 0.00 0.00 64.86 64.81 3kef h ILE 178 Cb 0.69 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 37.73 3kef h ILE 178 CO 0.05 0.41 0.54 0.44 0.00 0.00 0.00 178.15 179.59 3kef h ASP 179 N 0.77 0.98 -0.58 1.72 3.45 -1.02 -1.25 116.42 120.50 3kef h ASP 179 Ca 0.13 -0.04 -0.09 0.00 0.43 0.00 0.00 57.03 57.46 3kef h ASP 179 Cb 0.60 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 39.10 3kef h ASP 179 CO 0.04 0.73 0.01 0.00 -1.57 0.00 0.00 179.24 178.45 3kef h ALA 180 N 1.29 0.78 -0.55 3.45 0.00 -0.92 -2.00 119.26 121.31 3kef h ALA 180 Ca 0.30 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3kef h ALA 180 Cb -0.10 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 3kef h ALA 180 CO -0.06 0.60 0.28 -0.07 0.00 0.00 0.00 179.25 180.01 3kef h LEU 181 N 0.91 0.71 -0.87 0.00 3.38 -0.45 0.01 115.31 119.01 3kef h LEU 181 Ca 0.17 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 3kef h LEU 181 Cb 0.53 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3kef h LEU 181 CO 0.03 0.62 -0.32 0.03 0.09 0.00 0.00 178.44 178.89 3kef h ARG 182 N 0.74 0.00 0.11 1.13 3.08 -1.16 0.45 114.38 118.74 3kef h ARG 182 Ca 0.19 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.95 3kef h ARG 182 Cb 0.09 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.16 3kef h ARG 182 CO -0.03 0.32 -1.23 -0.22 -1.07 0.00 0.00 179.97 177.75 3kef h LYS 183 N 0.00 0.56 0.17 0.04 3.64 -1.07 -3.04 116.57 116.88 3kef h LYS 183 Ca -0.00 -0.76 -0.22 0.00 -1.27 0.00 0.00 60.65 58.40 3kef h LYS 183 Cb 0.90 0.25 0.03 0.00 -0.41 0.00 0.00 32.23 33.00 3kef h LYS 183 CO 0.04 1.34 -0.97 -0.09 -2.27 0.00 0.00 179.45 177.49 3kef h ARG 184 N 0.25 0.36 -2.97 1.90 9.65 -0.86 -3.40 114.38 119.31 3kef h ARG 184 Ca -0.17 -0.61 -0.62 0.00 -1.10 0.00 0.00 59.98 57.47 3kef h ARG 184 Cb 1.90 0.23 -0.42 0.00 -1.39 0.00 0.00 29.97 30.29 3kef h ARG 184 CO 0.23 1.29 -0.60 1.19 2.80 0.00 0.00 179.97 184.88 3kef n PHE 185 N -4.03 2.98 0.28 2.20 3.01 0.16 -4.96 117.46 117.10 3kef n PHE 185 Ca -0.15 -4.23 0.16 0.00 1.01 0.00 0.00 57.45 54.24 3kef n PHE 185 Cb 0.89 -0.56 0.77 0.00 -0.01 0.00 0.00 39.48 40.57 3kef n PHE 185 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3kef h PRO 186 N 5.31 0.00 -0.62 -1.08 0.13 -1.73 -0.59 132.00 133.42 3kef h PRO 186 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3kef h PRO 186 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 3kef h PRO 186 CO 0.70 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.10 3kef n LYS 187 N -3.04 2.66 -2.16 0.86 5.02 -1.26 -4.98 118.16 115.26 3kef n LYS 187 Ca 0.00 -2.53 -0.40 0.00 -2.02 0.00 0.00 58.31 53.36 3kef n LYS 187 Cb 0.46 -1.55 -0.02 0.00 -0.02 0.00 0.00 35.03 33.90 3kef n LYS 187 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 3kef s ILE 188 N -1.15 2.83 0.08 -0.18 2.07 -0.23 -4.64 121.20 119.98 3kef s ILE 188 Ca 0.45 0.80 0.07 0.00 -1.41 0.00 0.00 60.65 60.56 3kef s ILE 188 Cb 0.24 -3.49 -0.04 0.00 0.13 0.00 0.00 42.46 39.30 3kef s ILE 188 CO 0.32 0.16 -0.12 0.68 -1.91 0.00 0.00 174.94 174.08 3kef s VAL 189 N -1.20 3.27 0.00 4.00 -7.23 -0.23 -4.98 120.40 114.03 3kef s VAL 189 Ca 0.51 -1.21 0.00 0.00 -1.81 0.00 0.00 61.98 59.47 3kef s VAL 189 Cb -0.38 -2.49 0.00 0.00 0.56 0.00 0.00 36.38 34.08 3kef s VAL 189 CO 0.49 0.19 0.00 0.61 -0.31 0.00 0.00 175.10 176.08 3kef n GLY 190 N 0.97 1.40 3.65 2.32 0.00 -1.26 -1.03 105.19 111.23 3kef n GLY 190 Ca -0.14 -0.86 -0.29 0.00 0.00 0.00 0.00 46.02 44.72 3kef n GLY 190 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kef s PRO 191 N -1.33 -0.43 0.17 1.61 0.04 -1.26 -4.93 135.00 128.87 3kef s PRO 191 Ca 0.00 0.11 -0.14 0.00 0.04 0.00 0.00 61.00 61.02 3kef s PRO 191 Cb 0.00 -1.67 0.13 0.00 0.04 0.00 0.00 34.50 33.00 3kef s PRO 191 CO 0.00 -3.22 1.75 0.00 0.04 0.00 0.00 177.00 175.57 3kef h ARG 192 N -2.23 0.33 0.00 4.56 3.08 -2.02 -3.42 114.38 114.69 3kef h ARG 192 Ca -0.49 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.54 3kef h ARG 192 Cb 1.31 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.28 3kef h ARG 192 CO 0.44 0.22 0.00 1.17 -1.07 0.00 0.00 179.97 180.73 3kef n LYS 193 N -5.00 0.00 -1.66 0.04 4.81 -1.26 -5.16 118.16 109.92 3kef n LYS 193 Ca 0.04 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.46 3kef n LYS 193 Cb 0.17 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.22 3kef n LYS 193 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 3kef n ASP 194 N -2.10 -0.40 -0.91 3.14 5.68 -1.26 -5.03 116.55 115.66 3kef n ASP 194 Ca 0.00 -1.32 0.07 0.00 -0.50 0.00 0.00 54.79 53.04 3kef n ASP 194 Cb 0.00 0.67 0.23 0.00 -1.14 0.00 0.00 41.12 40.88 3kef n ASP 194 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3kef n ASP 195 N -1.35 3.61 -4.71 -1.12 10.43 -1.26 -4.87 116.55 117.29 3kef n ASP 195 Ca -0.01 -2.43 -0.42 0.00 2.57 0.00 0.00 54.79 54.50 3kef n ASP 195 Cb 0.11 -0.41 -0.03 0.00 1.84 0.00 0.00 41.12 42.64 3kef n ASP 195 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3kef s ILE 196 N -1.78 2.85 0.84 0.53 -1.09 -1.26 -4.28 121.20 117.02 3kef s ILE 196 Ca 0.35 0.50 -0.11 0.00 -2.23 0.00 0.00 60.65 59.15 3kef s ILE 196 Cb 0.24 -3.32 0.10 0.00 -1.58 0.00 0.00 42.46 37.90 3kef s ILE 196 CO 0.15 0.02 1.10 0.00 -1.23 0.00 0.00 174.94 174.98 3kef h TYR 198 N -1.30 1.15 -0.49 0.00 -0.00 -1.92 -1.61 116.97 112.79 3kef h TYR 198 Ca -0.48 0.03 -0.01 0.00 0.00 0.00 0.00 58.73 58.27 3kef h TYR 198 Cb 1.28 -0.38 -0.02 0.00 0.00 0.00 0.00 36.73 37.61 3kef h TYR 198 CO 0.45 0.60 0.27 0.00 -0.00 0.00 0.00 178.16 179.48 3kef h ALA 199 N 1.43 0.63 -0.17 0.10 0.00 -1.95 0.17 119.26 119.46 3kef h ALA 199 Ca 0.41 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 3kef h ALA 199 Cb 0.14 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3kef h ALA 199 CO -0.16 0.15 -0.01 1.15 0.00 0.00 0.00 179.25 180.38 3kef h THR 200 N 0.65 1.26 -0.20 0.00 2.02 -1.75 -0.46 112.91 114.42 3kef h THR 200 Ca 0.17 -0.88 0.01 0.00 0.77 0.00 0.00 66.41 66.49 3kef h THR 200 Cb 0.06 1.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 3kef h THR 200 CO -0.03 0.26 0.09 0.74 0.37 0.00 0.00 175.52 176.96 3kef h THR 201 N 0.05 0.98 -0.74 3.16 2.02 -1.13 -1.92 112.91 115.34 3kef h THR 201 Ca 0.05 -0.07 -0.04 0.00 0.77 0.00 0.00 66.41 67.12 3kef h THR 201 Cb 0.40 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 3kef h THR 201 CO 0.01 0.04 0.29 0.78 0.37 0.00 0.00 175.52 177.01 3kef h ASN 202 N 0.20 1.02 0.25 4.18 2.35 -0.59 -1.07 115.58 121.93 3kef h ASN 202 Ca 0.08 -0.17 -0.12 0.00 -0.55 0.00 0.00 56.30 55.54 3kef h ASN 202 Cb 0.03 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 3kef h ASN 202 CO -0.07 0.91 -0.48 0.03 -1.65 0.00 0.00 177.43 176.17 3kef h ARG 203 N 1.06 0.27 -0.19 0.81 3.08 -0.93 0.42 114.38 118.90 3kef h ARG 203 Ca 0.25 -0.15 -0.19 0.00 0.07 0.00 0.00 59.98 59.96 3kef h ARG 203 Cb 0.21 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.27 3kef h ARG 203 CO -0.02 0.70 -0.63 1.96 -1.07 0.00 0.00 179.97 180.91 3kef h GLN 204 N 0.22 0.70 -0.64 0.04 4.20 -1.14 -0.42 115.11 118.06 3kef h GLN 204 Ca 0.01 -0.49 -0.07 0.00 0.06 0.00 0.00 58.65 58.16 3kef h GLN 204 Cb 0.94 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.77 3kef h GLN 204 CO 0.08 1.11 0.13 1.49 -0.67 0.00 0.00 178.83 180.97 3kef h GLU 205 N 0.51 1.04 -0.50 1.46 4.81 -0.96 -2.09 114.58 118.85 3kef h GLU 205 Ca -0.01 -0.26 -0.12 0.00 -0.13 0.00 0.00 59.36 58.83 3kef h GLU 205 Cb 1.22 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 3kef h GLU 205 CO 0.13 0.95 -0.16 0.00 -0.73 0.00 0.00 179.01 179.20 3kef h ALA 206 N 1.05 0.69 0.00 2.92 0.00 -0.75 -2.72 119.26 120.44 3kef h ALA 206 Ca 0.20 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 3kef h ALA 206 Cb 0.39 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3kef h ALA 206 CO 0.01 0.64 -0.44 -0.24 0.00 0.00 0.00 179.25 179.21 3kef h VAL 207 N 0.85 1.05 -0.37 0.00 3.04 -0.98 -1.56 116.25 118.28 3kef h VAL 207 Ca 0.12 -1.68 -0.02 0.00 -1.01 0.00 0.00 66.70 64.11 3kef h VAL 207 Cb 0.73 1.98 -0.02 0.00 -2.01 0.00 0.00 31.29 31.97 3kef h VAL 207 CO 0.06 0.43 0.14 -0.09 -1.01 0.00 0.00 177.57 177.10 3kef h ARG 208 N 0.00 0.57 -0.32 4.17 2.43 -1.20 0.17 114.38 120.19 3kef h ARG 208 Ca -0.00 -0.11 -0.08 0.00 -0.81 0.00 0.00 59.98 58.97 3kef h ARG 208 Cb 0.94 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.39 3kef h ARG 208 CO 0.06 0.56 -0.14 0.00 -1.51 0.00 0.00 179.97 178.93 3kef h ALA 209 N 0.98 1.15 -0.12 2.80 0.00 -1.23 -2.78 119.26 120.06 3kef h ALA 209 Ca 0.12 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3kef h ALA 209 Cb 0.21 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3kef h ALA 209 CO -0.01 0.54 -0.05 1.25 0.00 0.00 0.00 179.25 180.98 3kef h LEU 210 N 0.52 0.25 -2.75 0.00 5.85 -0.82 -3.01 115.31 115.35 3kef h LEU 210 Ca 0.09 -0.41 -0.00 0.00 0.84 0.00 0.00 57.88 58.40 3kef h LEU 210 Cb 0.55 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 3kef h LEU 210 CO 0.03 0.60 -0.01 0.00 -0.34 0.00 0.00 178.44 178.73 3kef h ALA 211 N 0.66 1.09 0.00 1.25 0.00 -0.56 -0.14 119.26 121.56 3kef h ALA 211 Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3kef h ALA 211 Cb 0.51 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3kef h ALA 211 CO 0.02 0.01 0.00 0.93 0.00 0.00 0.00 179.25 180.20 3kef h GLU 212 N 0.00 0.00 0.00 0.00 5.08 -1.35 -3.32 114.58 114.99 3kef h GLU 212 Ca -0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 3kef h GLU 212 Cb 0.06 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 3kef h GLU 212 CO 0.00 0.00 -1.56 1.04 -1.00 0.00 0.00 179.01 177.49 3kef n GLN 213 N -3.08 0.92 -2.85 2.33 6.02 -0.45 -5.03 117.38 115.24 3kef n GLN 213 Ca 0.01 0.04 -0.34 0.00 -0.01 0.00 0.00 57.00 56.71 3kef n GLN 213 Cb 0.35 -1.20 -0.07 0.00 1.02 0.00 0.00 30.24 30.34 3kef n GLN 213 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kef s ALA 214 N -2.20 3.09 -0.10 -1.58 0.00 -0.19 -4.86 121.76 115.93 3kef s ALA 214 Ca -0.11 0.38 0.09 0.00 0.00 0.00 0.00 51.96 52.32 3kef s ALA 214 Cb 0.03 -3.11 -0.24 0.00 0.00 0.00 0.00 23.12 19.80 3kef s ALA 214 CO 0.25 0.16 0.44 0.39 0.00 0.00 0.00 175.76 177.00 3kef n GLU 215 N -0.43 0.67 -4.62 0.00 1.02 0.07 -4.76 120.64 112.59 3kef n GLU 215 Ca 0.06 0.22 -0.22 0.00 -0.02 0.00 0.00 57.16 57.20 3kef n GLU 215 Cb 0.53 -1.71 -0.15 0.00 -0.02 0.00 0.00 31.44 30.10 3kef n GLU 215 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3kef s VAL 216 N -2.57 1.11 -0.11 2.62 1.01 -1.21 -3.00 120.40 118.25 3kef s VAL 216 Ca -0.11 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.25 3kef s VAL 216 Cb 0.07 -0.93 0.02 0.00 0.00 0.00 0.00 36.38 35.54 3kef s VAL 216 CO 0.80 0.29 -0.15 -0.69 0.00 0.00 0.00 175.10 175.35 3kef s VAL 217 N -0.37 1.49 -0.20 2.92 1.01 -0.04 -0.19 120.40 125.01 3kef s VAL 217 Ca 0.05 -0.63 -0.09 0.00 0.00 0.00 0.00 61.98 61.32 3kef s VAL 217 Cb -0.06 -1.37 -0.05 0.00 0.00 0.00 0.00 36.38 34.91 3kef s VAL 217 CO -0.00 0.44 0.10 -0.76 0.00 0.00 0.00 175.10 174.88 3kef s LEU 218 N 1.09 4.03 -0.24 3.92 1.43 0.15 -0.80 118.68 128.26 3kef s LEU 218 Ca -0.04 0.15 -0.01 0.00 -1.03 0.00 0.00 54.13 53.20 3kef s LEU 218 Cb -0.14 -2.04 0.03 0.00 0.03 0.00 0.00 46.19 44.06 3kef s LEU 218 CO -0.03 0.16 -0.08 -0.69 0.23 0.00 0.00 176.35 175.94 3kef s VAL 219 N 0.45 2.76 -0.27 -1.59 1.01 0.56 -1.37 120.40 121.96 3kef s VAL 219 Ca 0.06 -1.05 -0.29 0.00 0.00 0.00 0.00 61.98 60.70 3kef s VAL 219 Cb -0.12 -2.39 0.01 0.00 0.00 0.00 0.00 36.38 33.88 3kef s VAL 219 CO -0.00 0.22 1.06 -0.69 0.00 0.00 0.00 175.10 175.68 3kef s VAL 220 N 1.31 4.59 0.00 2.92 1.01 -0.33 -0.99 120.40 128.91 3kef s VAL 220 Ca 0.00 1.89 0.00 0.00 0.00 0.00 0.00 61.98 63.87 3kef s VAL 220 Cb -0.16 -4.35 0.00 0.00 0.00 0.00 0.00 36.38 31.86 3kef s VAL 220 CO -0.05 -0.32 0.00 0.61 0.00 0.00 0.00 175.10 175.34 3kef n GLY 221 N 3.58 1.51 3.90 4.51 0.00 0.52 -1.05 105.19 118.16 3kef n GLY 221 Ca 0.12 -0.73 -0.28 0.00 0.00 0.00 0.00 46.02 45.13 3kef n GLY 221 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kef s SER 222 N 0.00 6.29 0.59 1.61 0.01 -1.26 -3.72 113.70 117.22 3kef s SER 222 Ca 0.00 1.03 0.30 0.00 1.31 0.00 0.00 55.95 58.59 3kef s SER 222 Cb 0.00 -2.29 1.82 0.00 0.21 0.00 0.00 66.02 65.75 3kef s SER 222 CO 0.00 -0.60 2.24 0.11 0.41 0.00 0.00 173.24 175.40 3kef h LYS 223 N 0.26 0.00 -0.67 12.44 1.57 -1.94 -2.04 116.57 126.18 3kef h LYS 223 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 3kef h LYS 223 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 3kef h LYS 223 CO 0.62 0.02 0.00 0.27 -0.57 0.00 0.00 179.45 179.79 3kef n ASN 224 N -3.76 3.89 -4.54 0.86 6.94 -1.26 -4.84 115.26 112.54 3kef n ASN 224 Ca -0.03 -2.13 -0.43 0.00 -0.02 0.00 0.00 54.58 51.98 3kef n ASN 224 Cb 0.10 -0.49 -0.06 0.00 -2.36 0.00 0.00 39.78 36.97 3kef n ASN 224 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 3kef s SER 225 N -0.96 6.37 0.09 0.53 0.15 -0.77 -4.90 113.70 114.21 3kef s SER 225 Ca 0.46 -0.15 -0.28 0.00 0.70 0.00 0.00 55.95 56.68 3kef s SER 225 Cb 0.26 -2.33 -0.15 0.00 -1.71 0.00 0.00 66.02 62.08 3kef s SER 225 CO 0.28 -0.74 1.68 -1.28 1.20 0.00 0.00 173.24 174.38 3kef h SER 226 N 8.76 -0.42 -0.42 5.45 0.87 -1.88 -1.70 113.55 124.21 3kef h SER 226 Ca -0.26 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.31 3kef h SER 226 Cb 1.10 0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 63.16 3kef h SER 226 CO 0.88 -0.28 0.21 -0.55 -0.53 0.00 0.00 176.83 176.57 3kef h ASN 227 N -0.44 0.57 -0.29 6.23 7.08 -1.93 -1.76 115.58 125.04 3kef h ASN 227 Ca -0.03 -0.05 -0.04 0.00 -3.08 0.00 0.00 56.30 53.10 3kef h ASN 227 Cb 0.36 -0.15 -0.01 0.00 -2.08 0.00 0.00 38.32 36.44 3kef h ASN 227 CO 0.04 0.50 0.05 0.28 -2.08 0.00 0.00 177.43 176.21 3kef h SER 228 N 0.64 0.47 -0.73 6.14 0.02 -1.85 -2.58 113.55 115.66 3kef h SER 228 Ca 0.16 -0.26 0.01 0.00 -0.84 0.00 0.00 61.79 60.86 3kef h SER 228 Cb 0.08 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.46 3kef h SER 228 CO -0.02 0.61 0.48 0.78 -1.14 0.00 0.00 176.83 177.54 3kef h ASN 229 N 0.31 0.82 0.28 3.07 4.21 -0.80 -1.61 115.58 121.85 3kef h ASN 229 Ca 0.09 -0.02 -0.06 0.00 1.21 0.00 0.00 56.30 57.52 3kef h ASN 229 Cb 0.34 -0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 37.33 3kef h ASN 229 CO 0.01 0.59 -0.29 0.03 -1.29 0.00 0.00 177.43 176.47 3kef h ARG 230 N 0.97 0.03 -0.22 0.81 -0.00 -1.04 0.63 114.38 115.56 3kef h ARG 230 Ca 0.27 -0.01 -0.09 0.00 -0.50 0.00 0.00 59.98 59.65 3kef h ARG 230 Cb -0.08 -0.00 -0.00 0.00 0.00 0.00 0.00 29.97 29.88 3kef h ARG 230 CO -0.06 0.33 -0.21 -0.07 0.00 0.00 0.00 179.97 179.96 3kef h LEU 231 N 0.03 0.56 -0.57 3.04 3.38 -0.92 -0.76 115.31 120.06 3kef h LEU 231 Ca 0.00 -0.47 -0.06 0.00 0.09 0.00 0.00 57.88 57.44 3kef h LEU 231 Cb 0.54 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3kef h LEU 231 CO 0.04 0.91 0.12 0.00 0.09 0.00 0.00 178.44 179.60 3kef h ALA 232 N 0.66 0.75 -0.53 1.53 0.00 -1.15 -2.54 119.26 117.97 3kef h ALA 232 Ca 0.04 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.73 3kef h ALA 232 Cb 0.75 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3kef h ALA 232 CO 0.05 0.47 0.34 1.49 0.00 0.00 0.00 179.25 181.60 3kef h GLU 233 N 0.82 0.66 -0.80 0.00 4.81 -0.80 -1.06 114.58 118.21 3kef h GLU 233 Ca 0.17 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 3kef h GLU 233 Cb 0.38 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 3kef h GLU 233 CO 0.01 0.44 0.40 1.25 -0.73 0.00 0.00 179.01 180.37 3kef h LEU 234 N 0.68 1.03 -0.38 1.64 6.46 -0.96 -0.01 115.31 123.77 3kef h LEU 234 Ca 0.20 -0.12 -0.12 0.00 -0.12 0.00 0.00 57.88 57.72 3kef h LEU 234 Cb -0.03 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 39.62 3kef h LEU 234 CO -0.07 0.87 -0.22 0.00 -0.62 0.00 0.00 178.44 178.40 3kef h ALA 235 N 1.21 0.54 -0.59 1.25 0.00 -1.16 -2.82 119.26 117.70 3kef h ALA 235 Ca 0.28 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 3kef h ALA 235 Cb 0.09 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3kef h ALA 235 CO -0.04 0.51 0.09 0.37 0.00 0.00 0.00 179.25 180.19 3kef h GLN 236 N 0.63 0.95 0.00 0.00 -0.00 -0.91 -2.04 115.11 113.75 3kef h GLN 236 Ca 0.08 -0.24 0.00 0.00 -0.00 0.00 0.00 58.65 58.50 3kef h GLN 236 Cb 0.78 -0.12 0.00 0.00 0.00 0.00 0.00 27.48 28.14 3kef h GLN 236 CO 0.06 0.88 0.00 0.00 0.00 0.00 0.00 178.83 179.78 3kef h ARG 237 N 0.90 0.00 -0.22 1.69 3.08 -0.90 -1.67 114.38 117.26 3kef h ARG 237 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 3kef h ARG 237 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.45 3kef h ARG 237 CO 0.01 0.00 0.00 -1.33 -1.07 0.00 0.00 179.97 177.58 3kef n MET 238 N -2.33 1.85 -0.50 0.04 2.81 -0.80 -4.91 117.12 113.28 3kef n MET 238 Ca 0.02 -1.29 0.00 0.00 -1.81 0.00 0.00 57.70 54.62 3kef n MET 238 Cb 0.23 -1.40 0.00 0.00 -0.71 0.00 0.00 33.22 31.34 3kef n MET 238 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kef n GLY 239 N 1.18 0.72 3.62 3.03 0.00 -0.63 -5.06 105.19 108.05 3kef n GLY 239 Ca 0.16 -0.28 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 3kef n GLY 239 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kef s LYS 240 N -0.76 2.57 -0.24 1.61 3.01 -1.03 -5.04 119.74 119.88 3kef s LYS 240 Ca 0.00 -0.73 -0.29 0.00 -1.01 0.00 0.00 55.97 53.94 3kef s LYS 240 Cb 0.00 -2.53 -0.01 0.00 -1.01 0.00 0.00 37.83 34.28 3kef s LYS 240 CO 0.00 0.59 1.41 1.03 0.51 0.00 0.00 175.35 178.89 3kef s ARG 241 N -1.61 3.94 0.04 1.68 0.52 -1.16 -3.67 118.95 118.69 3kef s ARG 241 Ca 0.19 1.49 0.07 0.00 -0.52 0.00 0.00 55.73 56.96 3kef s ARG 241 Cb -0.11 -3.91 -0.03 0.00 0.52 0.00 0.00 34.95 31.41 3kef s ARG 241 CO 0.10 -1.09 -0.17 0.00 0.02 0.00 0.00 175.30 174.15 3kef s ALA 242 N 4.47 2.62 -0.05 2.13 0.00 -1.26 -0.86 121.76 128.81 3kef s ALA 242 Ca 0.62 -1.18 0.02 0.00 0.00 0.00 0.00 51.96 51.41 3kef s ALA 242 Cb -0.21 -0.77 0.02 0.00 0.00 0.00 0.00 23.12 22.16 3kef s ALA 242 CO 0.24 0.58 -0.08 -0.06 0.00 0.00 0.00 175.76 176.44 3kef s PHE 243 N -0.93 1.03 -0.30 0.00 0.40 0.02 -4.96 117.98 113.25 3kef s PHE 243 Ca 0.15 -0.33 -0.16 0.00 -0.60 0.00 0.00 56.93 55.99 3kef s PHE 243 Cb -0.11 -0.82 -0.03 0.00 0.51 0.00 0.00 43.02 42.58 3kef s PHE 243 CO 0.05 -0.21 0.40 -1.17 0.70 0.00 0.00 175.22 174.99 3kef s LEU 244 N 0.75 4.16 0.04 -0.37 2.96 -1.26 -0.32 118.68 124.64 3kef s LEU 244 Ca -0.12 0.16 0.06 0.00 -0.22 0.00 0.00 54.13 54.00 3kef s LEU 244 Cb -0.15 -2.45 -0.02 0.00 0.50 0.00 0.00 46.19 44.07 3kef s LEU 244 CO 0.02 -0.27 -0.16 0.27 -1.32 0.00 0.00 176.35 174.89 3kef s ILE 245 N 2.13 1.28 0.07 6.68 -4.36 -0.16 -4.95 121.20 121.89 3kef s ILE 245 Ca 0.15 -1.06 -0.06 0.00 -0.26 0.00 0.00 60.65 59.42 3kef s ILE 245 Cb -0.16 -1.14 -0.29 0.00 1.25 0.00 0.00 42.46 42.12 3kef s ILE 245 CO 0.11 0.06 1.12 0.44 0.24 0.00 0.00 174.94 176.91 3kef h ASP 246 N 4.90 0.48 -5.10 4.36 3.32 -1.86 0.15 116.42 122.68 3kef h ASP 246 Ca -0.39 -0.52 0.08 0.00 0.02 0.00 0.00 57.03 56.22 3kef h ASP 246 Cb 1.17 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 40.53 3kef h ASP 246 CO 0.44 1.40 0.32 1.51 -1.72 0.00 0.00 179.24 181.19 3kef s ASP 247 N -7.21 -0.15 0.47 6.45 1.47 -1.26 -4.66 116.67 111.77 3kef s ASP 247 Ca -0.05 -0.71 0.25 0.00 1.18 0.00 0.00 52.55 53.22 3kef s ASP 247 Cb 0.07 0.70 1.29 0.00 -0.34 0.00 0.00 42.92 44.63 3kef s ASP 247 CO 0.89 -1.32 1.83 0.00 0.68 0.00 0.00 175.17 177.24 3kef h ALA 248 N 2.00 2.56 -0.01 2.11 0.00 -1.87 -0.67 119.26 123.39 3kef h ALA 248 Ca -0.24 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3kef h ALA 248 Cb 1.24 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 3kef h ALA 248 CO 0.29 -0.89 0.02 0.87 0.00 0.00 0.00 179.25 179.54 3kef h LYS 249 N 0.22 0.00 0.00 0.00 1.57 -1.96 -2.04 116.57 114.36 3kef h LYS 249 Ca 0.52 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.30 3kef h LYS 249 Cb 1.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.95 3kef h LYS 249 CO -0.14 0.00 0.00 -0.44 -0.57 0.00 0.00 179.45 178.30 3kef h ASP 250 N 0.00 0.00 -2.68 0.86 3.32 -1.53 -3.45 116.42 112.93 3kef h ASP 250 Ca 0.01 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.53 3kef h ASP 250 Cb 0.05 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.63 3kef h ASP 250 CO -0.00 0.00 1.00 -0.63 -1.72 0.00 0.00 179.24 177.89 3kef s ILE 251 N -3.27 2.86 -0.16 0.35 1.01 -0.77 -5.00 121.20 116.23 3kef s ILE 251 Ca 0.07 0.39 -0.07 0.00 0.00 0.00 0.00 60.65 61.04 3kef s ILE 251 Cb 0.07 -3.25 -0.04 0.00 0.01 0.00 0.00 42.46 39.25 3kef s ILE 251 CO 0.62 0.00 0.09 -1.10 0.00 0.00 0.00 174.94 174.56 3kef s GLN 252 N 2.37 3.73 0.24 2.79 -1.52 -1.26 -5.00 119.66 121.01 3kef s GLN 252 Ca 0.74 -0.27 -0.06 0.00 -1.95 0.00 0.00 55.36 53.82 3kef s GLN 252 Cb -0.42 -3.19 0.44 0.00 -0.22 0.00 0.00 33.01 29.63 3kef s GLN 252 CO 0.33 0.47 1.66 0.93 -0.25 0.00 0.00 175.29 178.43 3kef h GLU 253 N 6.01 0.16 -0.48 2.91 5.08 -2.00 -0.10 114.58 126.15 3kef h GLU 253 Ca -0.44 -0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.02 3kef h GLU 253 Cb 1.18 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 3kef h GLU 253 CO 0.66 0.10 0.34 0.93 -1.00 0.00 0.00 179.01 180.04 3kef h GLU 254 N 0.16 0.13 -0.65 2.33 5.08 -1.96 -1.71 114.58 117.95 3kef h GLU 254 Ca 0.41 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.79 3kef h GLU 254 Cb 0.72 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.90 3kef h GLU 254 CO -0.59 0.09 0.43 -1.49 -1.00 0.00 0.00 179.01 176.44 3kef h TRP 255 N 0.13 0.77 -0.07 4.33 6.55 -1.42 -3.20 115.95 123.03 3kef h TRP 255 Ca 0.23 0.02 0.00 0.00 0.95 0.00 0.00 58.89 60.09 3kef h TRP 255 Cb 0.73 -0.26 0.00 0.00 -0.86 0.00 0.00 29.16 28.77 3kef h TRP 255 CO -0.00 0.45 0.00 1.33 -1.05 0.00 0.00 178.44 179.17 3kef n VAL 256 N -4.46 0.54 -1.89 1.49 0.24 -0.78 -4.93 118.33 108.54 3kef n VAL 256 Ca 0.08 -0.77 -0.42 0.00 -2.04 0.00 0.00 64.34 61.19 3kef n VAL 256 Cb 0.11 0.77 -0.03 0.00 -1.47 0.00 0.00 33.84 33.23 3kef n VAL 256 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3kef s LYS 257 N -0.70 4.20 0.00 7.34 2.20 -0.72 -1.74 119.74 130.32 3kef s LYS 257 Ca 0.07 2.42 0.00 0.00 -0.36 0.00 0.00 55.97 58.10 3kef s LYS 257 Cb 0.04 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 33.25 3kef s LYS 257 CO 0.06 -0.60 0.00 -1.91 -0.36 0.00 0.00 175.35 172.54 3kef n GLU 258 N 3.36 0.00 -2.20 4.03 2.13 -1.26 -4.97 120.64 121.73 3kef n GLU 258 Ca 0.12 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.52 3kef n GLU 258 Cb 0.38 -3.00 -0.03 0.00 0.27 0.00 0.00 31.44 29.06 3kef n GLU 258 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3kef s VAL 259 N -2.53 3.34 0.01 6.31 1.01 -0.71 -4.93 120.40 122.90 3kef s VAL 259 Ca 0.00 0.99 0.02 0.00 0.00 0.00 0.00 61.98 62.99 3kef s VAL 259 Cb 0.00 -3.63 -0.25 0.00 0.00 0.00 0.00 36.38 32.49 3kef s VAL 259 CO 0.00 0.09 0.89 0.50 0.00 0.00 0.00 175.10 176.58 3kef h LYS 260 N 6.46 0.14 -3.26 2.72 3.64 -1.93 -3.42 116.57 120.92 3kef h LYS 260 Ca -0.43 -0.25 -0.35 0.00 -1.27 0.00 0.00 60.65 58.36 3kef h LYS 260 Cb 1.21 0.09 -0.38 0.00 -0.41 0.00 0.00 32.23 32.74 3kef h LYS 260 CO 0.84 0.96 -0.71 0.00 -2.27 0.00 0.00 179.45 178.27 3kef s VAL 262 N 2.18 2.57 0.03 0.00 0.11 -0.23 -0.75 120.40 124.31 3kef s VAL 262 Ca 0.04 -0.85 0.01 0.00 -2.93 0.00 0.00 61.98 58.25 3kef s VAL 262 Cb -0.12 -2.02 -0.04 0.00 -1.53 0.00 0.00 36.38 32.67 3kef s VAL 262 CO -0.04 0.55 0.06 -0.83 -3.33 0.00 0.00 175.10 171.52 3kef s GLY 263 N 0.08 1.99 -0.03 6.54 0.00 0.73 -1.44 107.32 115.19 3kef s GLY 263 Ca -0.08 -0.94 0.03 0.00 0.00 0.00 0.00 44.72 43.73 3kef s GLY 263 CO 0.05 -0.86 -0.13 0.14 0.00 0.00 0.00 173.10 172.30 3kef s VAL 264 N -1.25 1.09 0.34 1.40 1.01 0.45 -0.67 120.40 122.76 3kef s VAL 264 Ca 0.25 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.71 3kef s VAL 264 Cb -0.12 -0.95 -0.01 0.00 0.00 0.00 0.00 36.38 35.30 3kef s VAL 264 CO 0.16 0.32 0.38 0.28 0.00 0.00 0.00 175.10 176.25 3kef s THR 265 N 0.06 0.00 -0.09 3.92 -1.32 -0.47 -0.99 115.64 116.75 3kef s THR 265 Ca -0.02 -1.79 -0.14 0.00 -1.21 0.00 0.00 61.69 58.53 3kef s THR 265 Cb -0.09 -2.59 0.03 0.00 -1.51 0.00 0.00 72.50 68.34 3kef s THR 265 CO 0.01 0.00 0.36 0.00 -2.21 0.00 0.00 174.62 172.78 3kef s ALA 266 N -3.21 -0.90 0.99 11.08 0.00 -1.26 -1.19 121.76 127.26 3kef s ALA 266 Ca 0.35 0.79 -0.12 0.00 0.00 0.00 0.00 51.96 52.98 3kef s ALA 266 Cb 0.01 -0.33 0.18 0.00 0.00 0.00 0.00 23.12 22.98 3kef s ALA 266 CO 0.24 -0.22 1.09 0.20 0.00 0.00 0.00 175.76 177.07 3kef s GLY 267 N -0.44 1.58 0.51 0.00 0.00 -0.22 -0.88 107.32 107.87 3kef s GLY 267 Ca -0.06 -0.26 0.34 0.00 0.00 0.00 0.00 44.72 44.75 3kef s GLY 267 CO 0.02 0.33 2.04 0.00 0.00 0.00 0.00 173.10 175.50 3kef h ALA 268 N -1.88 1.00 -0.35 3.20 0.00 -1.91 -2.36 119.26 116.96 3kef h ALA 268 Ca -0.54 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3kef h ALA 268 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3kef h ALA 268 CO 0.56 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.68 3kef n SER 269 N -2.70 3.11 -4.61 0.00 3.41 -1.26 -3.00 113.62 108.57 3kef n SER 269 Ca -0.02 -1.90 -0.38 0.00 -0.26 0.00 0.00 58.87 56.31 3kef n SER 269 Cb 0.06 -0.23 -0.10 0.00 -0.26 0.00 0.00 64.21 63.67 3kef n SER 269 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kef s ALA 270 N -1.19 3.55 0.58 7.33 0.00 -0.89 -4.65 121.76 126.50 3kef s ALA 270 Ca 0.31 -1.00 -0.20 0.00 0.00 0.00 0.00 51.96 51.07 3kef s ALA 270 Cb 0.18 -2.50 -0.03 0.00 0.00 0.00 0.00 23.12 20.76 3kef s ALA 270 CO 0.24 -0.51 1.33 -2.14 0.00 0.00 0.00 175.76 174.69 3kef s PRO 271 N 1.69 2.92 0.46 0.00 0.02 -1.26 -3.70 135.00 135.14 3kef s PRO 271 Ca 0.09 2.16 0.15 0.00 0.02 0.00 0.00 61.00 63.41 3kef s PRO 271 Cb -0.16 -2.10 1.05 0.00 0.02 0.00 0.00 34.50 33.32 3kef s PRO 271 CO 0.10 -1.34 2.02 0.22 -0.33 0.00 0.00 177.00 177.68 3kef h ASP 272 N 1.11 0.01 -0.41 2.53 -0.00 -1.98 -2.38 116.42 115.30 3kef h ASP 272 Ca -0.51 -0.00 0.02 0.00 -0.00 0.00 0.00 57.03 56.54 3kef h ASP 272 Cb 1.31 -0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 40.62 3kef h ASP 272 CO 0.56 0.15 0.27 -0.29 -0.00 0.00 0.00 179.24 179.93 3kef h ILE 273 N 0.01 1.07 -0.58 2.25 2.10 -1.99 0.12 117.51 120.50 3kef h ILE 273 Ca 0.00 -0.17 -0.08 0.00 1.08 0.00 0.00 64.86 65.69 3kef h ILE 273 Cb 0.25 0.52 -0.02 0.00 -1.09 0.00 0.00 36.82 36.48 3kef h ILE 273 CO 0.02 0.09 0.05 -0.07 -1.08 0.00 0.00 178.15 177.16 3kef h LEU 274 N 0.51 0.92 -0.41 2.19 3.38 -1.80 -0.62 115.31 119.48 3kef h LEU 274 Ca 0.16 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 3kef h LEU 274 Cb 0.02 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3kef h LEU 274 CO -0.04 0.94 -0.12 0.58 0.09 0.00 0.00 178.44 179.90 3kef h VAL 275 N 0.89 1.28 -0.83 1.22 2.07 -1.12 -1.05 116.25 118.71 3kef h VAL 275 Ca 0.17 -1.22 0.01 0.00 0.82 0.00 0.00 66.70 66.48 3kef h VAL 275 Cb 0.45 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 3kef h VAL 275 CO 0.02 0.41 0.55 1.56 0.02 0.00 0.00 177.57 180.13 3kef h GLN 276 N 0.61 1.09 -0.32 1.57 1.08 -0.71 -0.54 115.11 117.89 3kef h GLN 276 Ca 0.10 -0.07 -0.11 0.00 -1.45 0.00 0.00 58.65 57.13 3kef h GLN 276 Cb 0.65 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.82 3kef h GLN 276 CO 0.04 0.72 -0.24 -0.91 -0.95 0.00 0.00 178.83 177.49 3kef h ASN 277 N 1.12 0.64 -0.37 1.46 -0.26 -0.91 -1.57 115.58 115.69 3kef h ASN 277 Ca 0.31 -0.22 -0.04 0.00 -0.56 0.00 0.00 56.30 55.78 3kef h ASN 277 Cb -0.12 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 36.95 3kef h ASN 277 CO -0.07 0.86 0.08 0.58 -1.06 0.00 0.00 177.43 177.82 3kef h VAL 278 N 0.55 1.23 -0.75 2.81 2.07 -0.58 -1.36 116.25 120.23 3kef h VAL 278 Ca 0.08 -0.80 0.02 0.00 0.82 0.00 0.00 66.70 66.82 3kef h VAL 278 Cb 0.70 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.48 3kef h VAL 278 CO 0.05 0.27 0.48 0.58 0.02 0.00 0.00 177.57 178.98 3kef h VAL 279 N 0.45 1.13 -0.34 2.57 2.07 -0.89 -0.39 116.25 120.86 3kef h VAL 279 Ca 0.11 -0.33 0.01 0.00 0.82 0.00 0.00 66.70 67.32 3kef h VAL 279 Cb 0.33 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 3kef h VAL 279 CO 0.00 0.17 0.21 0.00 0.02 0.00 0.00 177.57 177.98 3kef h ALA 280 N 1.30 0.43 -0.77 1.67 0.00 -1.01 -0.60 119.26 120.28 3kef h ALA 280 Ca 0.29 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 3kef h ALA 280 Cb -0.03 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3kef h ALA 280 CO -0.09 -0.13 0.46 -0.09 0.00 0.00 0.00 179.25 179.39 3kef h ARG 281 N 0.43 1.05 -0.20 0.00 9.65 -0.65 -1.79 114.38 122.87 3kef h ARG 281 Ca 0.13 -0.10 -0.06 0.00 -1.10 0.00 0.00 59.98 58.85 3kef h ARG 281 Cb -0.02 -0.22 -0.01 0.00 -1.39 0.00 0.00 29.97 28.33 3kef h ARG 281 CO -0.05 0.74 -0.16 -0.07 2.80 0.00 0.00 179.97 183.23 3kef h LEU 282 N 1.06 0.32 -0.64 3.80 3.38 -0.67 -2.54 115.31 120.02 3kef h LEU 282 Ca 0.28 -0.08 -0.14 0.00 0.09 0.00 0.00 57.88 58.02 3kef h LEU 282 Cb -0.04 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3kef h LEU 282 CO -0.05 0.51 -0.47 1.56 0.09 0.00 0.00 178.44 180.08 3kef h GLN 283 N 0.31 0.52 0.00 1.13 4.20 -0.34 0.26 115.11 121.19 3kef h GLN 283 Ca 0.06 -0.29 0.00 0.00 0.06 0.00 0.00 58.65 58.48 3kef h GLN 283 Cb 0.48 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.27 3kef h GLN 283 CO 0.03 0.88 0.00 0.00 -0.67 0.00 0.00 178.83 179.07 3kef n GLN 284 N -4.00 0.03 -0.95 1.46 10.64 -0.75 -2.00 117.38 121.82 3kef n GLN 284 Ca -0.02 0.12 0.01 0.00 -1.83 0.00 0.00 57.00 55.27 3kef n GLN 284 Cb 0.55 -1.54 0.36 0.00 -0.86 0.00 0.00 30.24 28.74 3kef n GLN 284 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 3kef n LEU 285 N -1.59 5.86 0.00 2.61 4.77 -0.80 -4.88 117.00 122.98 3kef n LEU 285 Ca 0.06 -3.08 0.00 0.00 -0.03 0.00 0.00 56.01 52.95 3kef n LEU 285 Cb 0.29 -0.71 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 3kef n LEU 285 CO 0.22 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 177.62 3kef n GLY 286 N 0.21 0.51 3.80 -0.72 0.00 -0.85 -4.97 105.19 103.17 3kef n GLY 286 Ca 0.34 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.03 3kef n GLY 286 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kef s GLY 287 N -1.05 2.19 0.00 -0.02 0.00 0.87 -2.68 107.32 106.63 3kef s GLY 287 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 44.72 45.14 3kef s GLY 287 CO 0.00 0.74 0.00 0.61 0.00 0.00 0.00 173.10 174.45 3kef n GLY 288 N -0.87 1.83 3.76 0.20 0.00 -0.37 -4.39 105.19 105.35 3kef n GLY 288 Ca 0.09 -2.03 -0.41 0.00 0.00 0.00 0.00 46.02 43.66 3kef n GLY 288 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kef s GLU 289 N 2.66 4.23 0.12 1.61 -1.05 -1.26 -4.66 118.70 120.35 3kef s GLU 289 Ca 0.00 2.38 -0.31 0.00 -0.15 0.00 0.00 54.97 56.89 3kef s GLU 289 Cb 0.00 -3.05 -0.08 0.00 -0.44 0.00 0.00 34.13 30.56 3kef s GLU 289 CO 0.00 -0.42 1.38 0.00 0.95 0.00 0.00 175.26 177.17 3kef s ALA 290 N -0.56 3.58 -0.34 -0.84 0.00 -1.26 -4.34 121.76 118.00 3kef s ALA 290 Ca 0.56 1.11 -0.06 0.00 0.00 0.00 0.00 51.96 53.57 3kef s ALA 290 Cb -0.43 -3.53 0.05 0.00 0.00 0.00 0.00 23.12 19.20 3kef s ALA 290 CO 0.51 -0.60 0.11 0.42 0.00 0.00 0.00 175.76 176.20 3kef s ILE 291 N 1.03 3.74 0.04 0.00 1.01 0.83 -4.96 121.20 122.88 3kef s ILE 291 Ca 0.64 -1.20 -0.30 0.00 0.00 0.00 0.00 60.65 59.78 3kef s ILE 291 Cb -0.37 -3.15 -0.05 0.00 0.01 0.00 0.00 42.46 38.90 3kef s ILE 291 CO 0.31 -0.22 1.25 -2.84 0.00 0.00 0.00 174.94 173.44 3kef s PRO 292 N 1.38 4.38 0.62 2.79 0.02 -1.26 -1.04 135.00 141.90 3kef s PRO 292 Ca -0.01 1.81 -0.12 0.00 0.02 0.00 0.00 61.00 62.70 3kef s PRO 292 Cb -0.20 -3.41 -0.04 0.00 0.02 0.00 0.00 34.50 30.88 3kef s PRO 292 CO 0.02 -0.36 1.03 -0.51 -0.33 0.00 0.00 177.00 176.86 3kef s LEU 293 N 1.47 3.25 0.31 -5.54 1.43 -0.57 -4.90 118.68 114.14 3kef s LEU 293 Ca 0.59 1.47 -0.28 0.00 -1.03 0.00 0.00 54.13 54.89 3kef s LEU 293 Cb -0.30 -4.48 -0.09 0.00 0.03 0.00 0.00 46.19 41.35 3kef s LEU 293 CO 0.27 -0.95 1.07 -1.61 0.23 0.00 0.00 176.35 175.37 3kef s GLU 294 N -5.03 4.53 0.27 1.70 0.41 -1.26 -4.55 118.70 114.76 3kef s GLU 294 Ca 0.56 1.68 -0.15 0.00 -0.41 0.00 0.00 54.97 56.65 3kef s GLU 294 Cb -0.12 -3.01 0.01 0.00 -1.78 0.00 0.00 34.13 29.24 3kef s GLU 294 CO 0.52 0.14 0.58 0.20 -0.49 0.00 0.00 175.26 176.21 3kef s GLY 295 N -1.11 0.37 0.14 -1.39 0.00 -1.26 -4.83 107.32 99.24 3kef s GLY 295 Ca 0.48 -0.72 -0.31 0.00 0.00 0.00 0.00 44.72 44.17 3kef s GLY 295 CO 0.36 -0.45 1.83 -2.13 0.00 0.00 0.00 173.10 172.71 3kef n ARG 296 N -0.43 2.80 -2.62 2.90 3.00 -1.26 -4.89 116.66 116.17 3kef n ARG 296 Ca -0.03 1.02 -0.40 0.00 -0.00 0.00 0.00 57.85 58.44 3kef n ARG 296 Cb 0.61 -2.91 -0.05 0.00 0.00 0.00 0.00 32.46 30.11 3kef n ARG 296 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 3kef s GLU 297 N 2.52 4.73 -0.09 -0.14 2.12 -1.26 -4.32 118.70 122.26 3kef s GLU 297 Ca 0.81 1.63 0.01 0.00 0.36 0.00 0.00 54.97 57.78 3kef s GLU 297 Cb -0.48 -3.20 -0.02 0.00 0.26 0.00 0.00 34.13 30.68 3kef s GLU 297 CO 0.36 0.35 -0.11 -1.21 -0.54 0.00 0.00 175.26 174.11 3kef s GLU 298 N -1.37 2.96 -0.01 4.30 2.02 -1.26 -5.01 118.70 120.33 3kef s GLU 298 Ca 0.43 -0.64 0.01 0.00 0.02 0.00 0.00 54.97 54.79 3kef s GLU 298 Cb -0.28 -2.56 0.02 0.00 0.10 0.00 0.00 34.13 31.41 3kef s GLU 298 CO 0.36 0.46 0.80 0.27 0.02 0.00 0.00 175.26 177.17 3kef n ASN 299 N 2.80 1.04 -4.76 -0.19 0.23 -1.26 -5.07 115.26 108.05 3kef n ASN 299 Ca -0.18 -1.65 -0.39 0.00 -0.53 0.00 0.00 54.58 51.83 3kef n ASN 299 Cb 0.53 -0.04 -0.05 0.00 -2.08 0.00 0.00 39.78 38.13 3kef n ASN 299 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 3kef s ILE 300 N -0.63 4.69 -0.01 1.53 1.01 -1.26 -5.06 121.20 121.46 3kef s ILE 300 Ca 0.02 1.53 0.01 0.00 0.00 0.00 0.00 60.65 62.20 3kef s ILE 300 Cb 0.02 -4.06 0.01 0.00 0.01 0.00 0.00 42.46 38.43 3kef s ILE 300 CO 0.00 0.43 -0.02 -0.69 0.00 0.00 0.00 174.94 174.66 3kef s VAL 301 N -0.42 0.21 -0.26 2.92 1.01 -1.26 -4.56 120.40 118.04 3kef s VAL 301 Ca 0.35 -0.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.26 3kef s VAL 301 Cb -0.20 -0.22 0.03 0.00 0.00 0.00 0.00 36.38 35.99 3kef s VAL 301 CO 0.22 0.09 -0.05 -0.36 0.00 0.00 0.00 175.10 175.00 3kef s PHE 302 N 0.26 3.12 0.56 5.22 2.99 -1.26 -5.10 117.98 123.78 3kef s PHE 302 Ca -0.02 -1.67 -0.18 0.00 0.00 0.00 0.00 56.93 55.06 3kef s PHE 302 Cb -0.05 -2.06 -0.05 0.00 0.00 0.00 0.00 43.02 40.86 3kef s PHE 302 CO -0.01 -0.76 1.07 -1.21 -0.00 0.00 0.00 175.22 174.32 3kef s GLU 303 N 1.30 3.39 0.75 0.44 2.02 -1.26 -4.43 118.70 120.90 3kef s GLU 303 Ca -0.02 1.36 -0.11 0.00 0.02 0.00 0.00 54.97 56.22 3kef s GLU 303 Cb -0.18 -2.03 0.04 0.00 0.10 0.00 0.00 34.13 32.06 3kef s GLU 303 CO -0.04 -0.77 1.09 0.14 0.02 0.00 0.00 175.26 175.70 3kef s VAL 304 N -2.16 3.42 0.48 2.63 -7.23 -1.26 -4.97 120.40 111.32 3kef s VAL 304 Ca 0.67 0.46 -0.24 0.00 -1.81 0.00 0.00 61.98 61.06 3kef s VAL 304 Cb -0.18 -3.29 -0.07 0.00 0.56 0.00 0.00 36.38 33.40 3kef s VAL 304 CO 0.31 -0.60 1.39 -2.16 -0.31 0.00 0.00 175.10 173.72 3kef s PRO 305 N -5.19 3.50 0.43 4.82 0.04 -1.26 -4.83 135.00 132.51 3kef s PRO 305 Ca 0.59 2.33 0.23 0.00 0.04 0.00 0.00 61.00 64.19 3kef s PRO 305 Cb -0.13 -2.51 1.21 0.00 0.04 0.00 0.00 34.50 33.11 3kef s PRO 305 CO 0.54 -0.93 1.78 1.57 0.04 0.00 0.00 177.00 179.99 3kef h LYS 306 N 2.02 0.29 0.00 4.56 2.10 -1.98 0.12 116.57 123.67 3kef h LYS 306 Ca -0.51 -0.02 -0.02 0.00 -2.00 0.00 0.00 60.65 58.11 3kef h LYS 306 Cb 1.28 -0.06 -0.00 0.00 -0.90 0.00 0.00 32.23 32.54 3kef h LYS 306 CO 0.60 0.19 -0.09 0.93 -2.00 0.00 0.00 179.45 179.07 3kef h GLU 307 N 0.29 0.00 -0.24 0.07 3.07 -2.04 -2.93 114.58 112.81 3kef h GLU 307 Ca 0.59 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.45 3kef h GLU 307 Cb 1.69 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.60 3kef h GLU 307 CO -0.24 0.09 0.00 1.28 -1.40 0.00 0.00 179.01 178.74 3kef n LEU 308 N -3.65 2.92 0.00 1.33 4.77 0.39 -5.09 117.00 117.67 3kef n LEU 308 Ca -0.02 -1.40 0.10 0.00 -0.03 0.00 0.00 56.01 54.66 3kef n LEU 308 Cb 0.21 -0.15 0.59 0.00 -2.33 0.00 0.00 43.42 41.74 3kef n LEU 308 CO 0.29 0.62 0.79 -2.11 -1.33 0.00 0.00 177.39 175.65