#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kah s PRO 8 N 0.00 2.59 0.05 3.23 0.02 -1.26 -4.89 135.00 134.74 3kah s PRO 8 Ca 0.00 0.50 -0.36 0.00 0.02 0.00 0.00 61.00 61.16 3kah s PRO 8 Cb 0.00 -1.99 -0.16 0.00 0.02 0.00 0.00 34.50 32.38 3kah s PRO 8 CO 0.00 -1.24 1.47 -2.30 -0.33 0.00 0.00 177.00 174.60 3kah n PRO 9 N -3.15 1.43 0.00 5.54 -0.02 -1.26 -1.52 135.00 136.02 3kah n PRO 9 Ca 0.07 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3kah n PRO 9 Cb 0.57 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 3kah n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kah n GLY 10 N 3.02 2.55 3.83 -1.23 0.00 -1.26 -4.96 105.19 107.14 3kah n GLY 10 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 3kah n GLY 10 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3kah s TRP 11 N -2.35 3.57 0.03 1.61 0.52 -0.57 -1.79 118.94 119.95 3kah s TRP 11 Ca 0.00 1.31 -0.01 0.00 0.02 0.00 0.00 56.10 57.43 3kah s TRP 11 Cb 0.00 -2.57 -0.02 0.00 -1.15 0.00 0.00 33.47 29.72 3kah s TRP 11 CO 0.00 0.28 -0.02 -1.21 0.02 0.00 0.00 176.95 176.03 3kah s GLU 12 N -2.23 0.40 0.01 4.98 0.41 -0.40 -4.84 118.70 117.03 3kah s GLU 12 Ca 0.45 -0.74 -0.03 0.00 -0.41 0.00 0.00 54.97 54.25 3kah s GLU 12 Cb -0.15 0.14 -0.04 0.00 -1.78 0.00 0.00 34.13 32.30 3kah s GLU 12 CO 0.20 -0.07 0.21 0.21 -0.49 0.00 0.00 175.26 175.31 3kah s LYS 13 N -2.03 3.46 0.37 1.61 2.20 -1.26 -1.70 119.74 122.39 3kah s LYS 13 Ca -0.11 -0.31 -0.04 0.00 -0.36 0.00 0.00 55.97 55.15 3kah s LYS 13 Cb -0.06 -3.07 0.02 0.00 -1.51 0.00 0.00 37.83 33.21 3kah s LYS 13 CO -0.03 0.65 0.55 0.00 -0.36 0.00 0.00 175.35 176.16 3kah s ALA 14 N -1.38 0.57 -0.11 3.13 0.00 -0.40 -4.97 121.76 118.60 3kah s ALA 14 Ca 0.30 -1.43 0.03 0.00 0.00 0.00 0.00 51.96 50.85 3kah s ALA 14 Cb -0.13 1.06 0.01 0.00 0.00 0.00 0.00 23.12 24.06 3kah s ALA 14 CO 0.21 -0.83 -0.20 1.41 0.00 0.00 0.00 175.76 176.35 3kah s MET 15 N -2.76 2.70 -0.21 0.00 1.75 -1.26 -1.58 119.30 117.93 3kah s MET 15 Ca 0.28 -0.75 -0.19 0.00 -1.25 0.00 0.00 55.69 53.78 3kah s MET 15 Cb -0.02 -2.15 -0.03 0.00 2.84 0.00 0.00 34.83 35.48 3kah s MET 15 CO 0.20 0.04 0.56 0.45 -0.65 0.00 0.00 175.02 175.63 3kah s SER 16 N 0.68 6.58 0.10 1.11 0.15 -0.33 -4.94 113.70 117.05 3kah s SER 16 Ca -0.12 0.70 -0.19 0.00 0.70 0.00 0.00 55.95 57.05 3kah s SER 16 Cb -0.16 -2.31 -0.07 0.00 -1.71 0.00 0.00 66.02 61.77 3kah s SER 16 CO 0.02 -0.24 1.66 -0.09 1.20 0.00 0.00 173.24 175.79 3kah h ARG 17 N 7.59 0.37 -0.85 5.44 1.12 -1.97 -0.24 114.38 125.84 3kah h ARG 17 Ca -0.32 -0.06 -0.01 0.00 -1.11 0.00 0.00 59.98 58.49 3kah h ARG 17 Cb 1.15 -0.06 -0.04 0.00 -0.01 0.00 0.00 29.97 31.00 3kah h ARG 17 CO 0.75 0.39 0.50 0.77 -3.11 0.00 0.00 179.97 179.27 3kah h SER 18 N 0.26 1.03 0.44 -3.80 0.02 -1.97 -3.16 113.55 106.36 3kah h SER 18 Ca 0.08 -0.07 -0.31 0.00 -0.84 0.00 0.00 61.79 60.65 3kah h SER 18 Cb 0.16 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 3kah h SER 18 CO -0.01 0.80 -1.67 0.28 -1.14 0.00 0.00 176.83 175.09 3kah h SER 19 N 1.17 0.19 0.00 3.07 0.02 -1.99 -3.48 113.55 112.53 3kah h SER 19 Ca 0.30 -0.35 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3kah h SER 19 Cb -0.03 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.45 3kah h SER 19 CO -0.05 1.31 0.00 0.61 -1.14 0.00 0.00 176.83 177.55 3kah n GLY 20 N 1.67 0.50 3.55 -3.77 0.00 -0.10 -5.05 105.19 101.99 3kah n GLY 20 Ca -0.19 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 3kah n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kah s ARG 21 N -0.03 2.23 0.69 1.61 0.52 -1.24 -4.88 118.95 117.85 3kah s ARG 21 Ca 0.00 -0.93 -0.13 0.00 -0.52 0.00 0.00 55.73 54.14 3kah s ARG 21 Cb 0.00 -2.33 0.01 0.00 0.52 0.00 0.00 34.95 33.15 3kah s ARG 21 CO 0.00 0.54 1.10 0.14 0.02 0.00 0.00 175.30 177.10 3kah s VAL 22 N -1.09 3.38 0.32 3.52 -7.23 -1.26 -1.19 120.40 116.85 3kah s VAL 22 Ca 0.19 0.57 0.02 0.00 -1.81 0.00 0.00 61.98 60.95 3kah s VAL 22 Cb -0.11 -3.10 -0.02 0.00 0.56 0.00 0.00 36.38 33.71 3kah s VAL 22 CO 0.10 -0.47 0.34 -0.72 -0.31 0.00 0.00 175.10 174.05 3kah s TYR 23 N -2.56 1.41 0.07 2.82 -0.85 -0.61 -4.83 117.35 112.80 3kah s TYR 23 Ca 0.64 -1.48 0.07 0.00 -0.52 0.00 0.00 57.07 55.78 3kah s TYR 23 Cb -0.19 -0.44 -0.03 0.00 0.38 0.00 0.00 41.96 41.68 3kah s TYR 23 CO 0.46 -0.95 -0.18 0.71 -1.52 0.00 0.00 175.55 174.07 3kah s TYR 24 N -3.37 1.52 -0.00 -3.49 1.51 0.07 -1.27 117.35 112.31 3kah s TYR 24 Ca 0.36 -0.41 -0.07 0.00 -1.01 0.00 0.00 57.07 55.94 3kah s TYR 24 Cb 0.02 -0.86 0.00 0.00 -0.11 0.00 0.00 41.96 41.01 3kah s TYR 24 CO 0.23 0.11 0.14 -0.59 -1.11 0.00 0.00 175.55 174.34 3kah s PHE 25 N -1.09 0.02 -0.18 2.71 -0.71 -0.69 -1.62 117.98 116.42 3kah s PHE 25 Ca 0.03 -0.08 -0.03 0.00 -1.04 0.00 0.00 56.93 55.81 3kah s PHE 25 Cb -0.09 -0.04 -0.01 0.00 -1.21 0.00 0.00 43.02 41.67 3kah s PHE 25 CO 0.03 -0.28 -0.07 1.21 -1.34 0.00 0.00 175.22 174.77 3kah s ASN 26 N -1.28 4.25 0.00 1.98 3.84 -0.28 -1.27 114.94 122.18 3kah s ASN 26 Ca -0.14 -0.34 0.28 0.00 0.21 0.00 0.00 52.86 52.87 3kah s ASN 26 Cb -0.07 -1.70 1.13 0.00 -0.55 0.00 0.00 41.25 40.06 3kah s ASN 26 CO 0.02 0.06 1.81 0.00 -2.79 0.00 0.00 177.10 176.20 3kah n HIS 27 N 4.25 0.00 0.04 0.43 1.44 -0.74 -0.59 115.22 120.05 3kah n HIS 27 Ca -0.18 0.00 -0.22 0.00 -2.01 0.00 0.00 57.72 55.31 3kah n HIS 27 Cb 0.52 -0.27 -0.14 0.00 0.12 0.00 0.00 29.99 30.21 3kah n HIS 27 CO 0.00 0.00 0.00 0.82 -2.81 0.00 0.00 176.34 174.35 3kah h ILE 28 N 0.31 0.94 0.00 0.61 2.04 -1.93 -3.40 117.51 116.07 3kah h ILE 28 Ca 0.00 -2.46 0.00 0.00 1.00 0.00 0.00 64.86 63.40 3kah h ILE 28 Cb 0.41 2.72 0.00 0.00 -0.74 0.00 0.00 36.82 39.21 3kah h ILE 28 CO 0.00 0.81 -1.41 0.35 0.00 0.00 0.00 178.15 177.90 3kah n THR 29 N -3.70 0.08 -1.49 -0.27 -2.24 -1.24 -4.43 114.28 101.00 3kah n THR 29 Ca -0.26 -0.30 -0.17 0.00 -2.27 0.00 0.00 64.05 61.06 3kah n THR 29 Cb 1.01 0.30 -0.07 0.00 -2.10 0.00 0.00 70.33 69.47 3kah n THR 29 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3kah n ASN 30 N -2.00 -5.16 -4.74 3.42 4.13 0.24 -0.28 115.26 110.87 3kah n ASN 30 Ca -0.00 0.42 -0.35 0.00 1.68 0.00 0.00 54.58 56.32 3kah n ASN 30 Cb 0.47 -4.14 0.05 0.00 -1.54 0.00 0.00 39.78 34.63 3kah n ASN 30 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3kah s ALA 31 N -2.58 2.40 -0.11 5.41 0.00 -1.19 -3.69 121.76 122.01 3kah s ALA 31 Ca 0.00 0.96 -0.21 0.00 0.00 0.00 0.00 51.96 52.72 3kah s ALA 31 Cb 0.00 -3.46 0.05 0.00 0.00 0.00 0.00 23.12 19.71 3kah s ALA 31 CO 0.00 -1.42 0.50 -1.54 0.00 0.00 0.00 175.76 173.31 3kah s SER 32 N -1.77 -0.48 -0.06 0.00 1.04 -1.26 -1.12 113.70 110.06 3kah s SER 32 Ca 0.76 0.70 -0.29 0.00 0.48 0.00 0.00 55.95 57.60 3kah s SER 32 Cb -0.30 0.73 0.10 0.00 0.10 0.00 0.00 66.02 66.65 3kah s SER 32 CO 0.38 -0.36 0.87 0.00 0.98 0.00 0.00 173.24 175.11 3kah s GLN 33 N -0.54 0.81 0.27 4.02 -2.07 -0.64 -5.01 119.66 116.50 3kah s GLN 33 Ca -0.07 -0.06 0.03 0.00 -1.82 0.00 0.00 55.36 53.45 3kah s GLN 33 Cb -0.03 0.38 0.38 0.00 -1.09 0.00 0.00 33.01 32.64 3kah s GLN 33 CO 0.04 -0.30 1.69 -1.49 -1.32 0.00 0.00 175.29 173.90 3kah h TRP 34 N 2.37 0.49 -3.43 9.60 4.06 -1.88 0.23 115.95 127.40 3kah h TRP 34 Ca -0.22 -0.12 -0.53 0.00 2.06 0.00 0.00 58.89 60.07 3kah h TRP 34 Cb 1.20 -0.11 -0.03 0.00 -1.00 0.00 0.00 29.16 29.22 3kah h TRP 34 CO 0.29 0.71 -0.11 -1.21 -3.56 0.00 0.00 178.44 174.56 3kah s GLU 35 N -4.34 3.79 0.04 0.49 8.01 -1.26 -4.48 118.70 120.95 3kah s GLU 35 Ca -0.06 0.26 -0.31 0.00 0.01 0.00 0.00 54.97 54.87 3kah s GLU 35 Cb 0.13 -2.64 -0.07 0.00 -4.31 0.00 0.00 34.13 27.25 3kah s GLU 35 CO 0.79 0.30 1.46 0.50 0.01 0.00 0.00 175.26 178.32 3kah s ARG 36 N -2.90 4.27 0.62 1.61 3.52 -1.26 -4.66 118.95 120.15 3kah s ARG 36 Ca 0.47 2.07 -0.17 0.00 -0.13 0.00 0.00 55.73 57.97 3kah s ARG 36 Cb -0.11 -3.51 -0.02 0.00 -1.56 0.00 0.00 34.95 29.75 3kah s ARG 36 CO 0.22 -0.58 1.17 -1.25 -0.81 0.00 0.00 175.30 174.04 3kah s PRO 37 N 2.18 2.86 0.00 5.12 0.04 -1.26 -5.17 135.00 138.78 3kah s PRO 37 Ca 0.66 1.66 0.00 0.00 0.04 0.00 0.00 61.00 63.36 3kah s PRO 37 Cb -0.34 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.26 3kah s PRO 37 CO 0.29 -1.25 0.00 0.45 0.04 0.00 0.00 177.00 176.53 3kah n SER 38 N -1.94 0.00 -4.06 6.66 2.88 -1.26 -4.94 113.62 110.96 3kah n SER 38 Ca 0.12 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.34 3kah n SER 38 Cb 0.51 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.81 3kah n SER 38 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 3kah s GLU 51 N -1.06 2.38 0.90 -1.46 2.12 -1.26 -5.14 118.70 115.18 3kah s GLU 51 Ca 0.00 -1.08 -0.11 0.00 0.36 0.00 0.00 54.97 54.14 3kah s GLU 51 Cb 0.00 -2.69 0.13 0.00 0.26 0.00 0.00 34.13 31.83 3kah s GLU 51 CO 0.00 -0.44 1.11 -1.25 -0.54 0.00 0.00 175.26 174.14 3kah s PRO 52 N 1.23 1.22 0.08 4.30 0.04 -1.26 -4.99 135.00 135.62 3kah s PRO 52 Ca -0.03 1.22 -0.29 0.00 0.04 0.00 0.00 61.00 61.94 3kah s PRO 52 Cb -0.17 -1.77 -0.12 0.00 0.04 0.00 0.00 34.50 32.47 3kah s PRO 52 CO -0.08 -2.38 1.46 0.00 0.04 0.00 0.00 177.00 176.03 3kah h ALA 53 N -1.67 -0.94 -3.66 8.56 0.00 -2.05 -3.45 119.26 116.05 3kah h ALA 53 Ca -0.46 -0.10 -0.67 0.00 0.00 0.00 0.00 54.91 53.67 3kah h ALA 53 Cb 1.27 0.81 -0.19 0.00 0.00 0.00 0.00 17.79 19.67 3kah h ALA 53 CO 0.48 -1.04 -0.82 1.03 0.00 0.00 0.00 179.25 178.90 3kah s ARG 54 N -5.28 1.63 0.21 0.00 0.52 -1.26 -4.39 118.95 110.38 3kah s ARG 54 Ca -0.14 -1.29 0.10 0.00 -0.52 0.00 0.00 55.73 53.88 3kah s ARG 54 Cb 0.05 -2.01 -0.05 0.00 0.52 0.00 0.00 34.95 33.47 3kah s ARG 54 CO 0.50 0.46 -0.19 0.14 0.02 0.00 0.00 175.30 176.23 3kah s VAL 55 N -1.23 2.06 -0.14 3.52 -7.23 -0.31 -4.93 120.40 112.15 3kah s VAL 55 Ca 0.17 -2.15 0.01 0.00 -1.81 0.00 0.00 61.98 58.21 3kah s VAL 55 Cb -0.10 -2.06 -0.01 0.00 0.56 0.00 0.00 36.38 34.77 3kah s VAL 55 CO 0.09 -0.38 -0.16 -0.60 -0.31 0.00 0.00 175.10 173.74 3kah s ARG 56 N -3.19 3.27 0.04 4.82 3.52 0.91 -0.84 118.95 127.47 3kah s ARG 56 Ca 0.22 -0.74 0.03 0.00 -0.13 0.00 0.00 55.73 55.11 3kah s ARG 56 Cb -0.05 -2.58 -0.02 0.00 -1.56 0.00 0.00 34.95 30.74 3kah s ARG 56 CO 0.09 0.13 -0.11 0.00 -0.81 0.00 0.00 175.30 174.61 3kah s SER 58 N -1.27 5.80 0.23 0.00 0.01 -0.19 -1.16 113.70 117.13 3kah s SER 58 Ca -0.03 -0.09 -0.04 0.00 1.31 0.00 0.00 55.95 57.10 3kah s SER 58 Cb -0.08 -1.58 -0.03 0.00 0.21 0.00 0.00 66.02 64.54 3kah s SER 58 CO 0.01 -0.00 0.25 -1.38 0.41 0.00 0.00 173.24 172.53 3kah s HIS 59 N -1.94 0.97 -0.10 2.43 -3.43 -0.11 -0.96 115.29 112.15 3kah s HIS 59 Ca 0.33 -1.21 -0.00 0.00 -0.80 0.00 0.00 55.06 53.37 3kah s HIS 59 Cb -0.09 -0.34 0.02 0.00 -1.43 0.00 0.00 32.58 30.74 3kah s HIS 59 CO 0.26 -0.78 -0.07 -1.17 -2.00 0.00 0.00 174.74 170.98 3kah s LEU 60 N -3.14 1.15 -0.15 5.38 0.20 0.46 -4.48 118.68 118.10 3kah s LEU 60 Ca 0.34 -0.25 -0.03 0.00 0.69 0.00 0.00 54.13 54.87 3kah s LEU 60 Cb 0.04 -0.75 -0.03 0.00 -0.43 0.00 0.00 46.19 45.03 3kah s LEU 60 CO 0.13 -0.11 -0.04 -0.22 -0.29 0.00 0.00 176.35 175.82 3kah s LEU 61 N 1.56 3.24 -0.29 -0.68 2.96 -1.26 -0.92 118.68 123.29 3kah s LEU 61 Ca 0.01 -0.12 -0.02 0.00 -0.22 0.00 0.00 54.13 53.78 3kah s LEU 61 Cb -0.13 -1.78 0.04 0.00 0.50 0.00 0.00 46.19 44.83 3kah s LEU 61 CO -0.06 0.18 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.46 3kah s VAL 62 N 0.27 3.03 0.77 1.68 1.01 -0.47 -0.26 120.40 126.43 3kah s VAL 62 Ca -0.03 -1.26 -0.12 0.00 0.00 0.00 0.00 61.98 60.57 3kah s VAL 62 Cb -0.14 -2.69 0.05 0.00 0.00 0.00 0.00 36.38 33.61 3kah s VAL 62 CO 0.03 -0.03 1.11 -0.54 0.00 0.00 0.00 175.10 175.67 3kah s LYS 63 N 1.28 2.31 0.34 2.72 1.02 -1.26 -2.18 119.74 123.97 3kah s LYS 63 Ca -0.04 0.49 0.03 0.00 0.02 0.00 0.00 55.97 56.47 3kah s LYS 63 Cb -0.19 -1.96 -0.01 0.00 -0.52 0.00 0.00 37.83 35.15 3kah s LYS 63 CO -0.02 -1.43 0.37 -2.39 -0.92 0.00 0.00 175.35 170.97 3kah n HIS 64 N -3.28 -1.09 0.39 3.18 1.44 -1.26 -4.84 115.22 109.76 3kah n HIS 64 Ca 0.07 -2.58 0.13 0.00 -2.01 0.00 0.00 57.72 53.34 3kah n HIS 64 Cb 0.57 0.41 0.52 0.00 0.12 0.00 0.00 29.99 31.61 3kah n HIS 64 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 3kah h SER 65 N 2.00 0.00 -0.12 4.39 4.64 -1.13 -1.45 113.55 121.88 3kah h SER 65 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3kah h SER 65 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3kah h SER 65 CO 0.35 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.31 3kah n GLN 66 N -2.44 2.26 -1.55 4.77 6.02 -1.26 -4.89 117.38 120.28 3kah n GLN 66 Ca 0.02 -1.97 -0.43 0.00 -0.01 0.00 0.00 57.00 54.62 3kah n GLN 66 Cb 0.27 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 30.08 3kah n GLN 66 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3kah n SER 67 N 1.33 0.59 -0.17 1.08 7.64 -0.55 -4.88 113.62 118.66 3kah n SER 67 Ca 0.15 1.05 -0.01 0.00 1.01 0.00 0.00 58.87 61.06 3kah n SER 67 Cb 0.58 -1.25 0.07 0.00 -1.01 0.00 0.00 64.21 62.60 3kah n SER 67 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 3kah h ARG 68 N 1.44 0.11 -3.32 1.43 2.43 -1.11 -3.27 114.38 112.09 3kah h ARG 68 Ca -0.41 -0.01 -0.64 0.00 -0.81 0.00 0.00 59.98 58.11 3kah h ARG 68 Cb 1.36 -0.03 -0.41 0.00 -0.42 0.00 0.00 29.97 30.48 3kah h ARG 68 CO 0.56 0.08 -0.59 0.50 -1.51 0.00 0.00 179.97 179.01 3kah s ARG 69 N -6.16 2.16 -1.35 0.20 3.52 -1.26 -5.01 118.95 111.04 3kah s ARG 69 Ca -0.13 -2.80 -0.15 0.00 -0.13 0.00 0.00 55.73 52.51 3kah s ARG 69 Cb 0.17 -3.39 -0.00 0.00 -1.56 0.00 0.00 34.95 30.17 3kah s ARG 69 CO 0.73 -1.16 2.23 -0.35 -0.81 0.00 0.00 175.30 175.94 3kah n PRO 70 N 2.85 2.68 -3.59 5.12 -0.04 -1.23 -4.68 135.00 136.10 3kah n PRO 70 Ca 0.09 -2.43 -0.12 0.00 -0.04 0.00 0.00 63.50 60.99 3kah n PRO 70 Cb 0.33 -3.18 -0.06 0.00 -0.04 0.00 0.00 33.50 30.55 3kah n PRO 70 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3kah s SER 71 N 3.42 -0.52 0.33 3.54 0.15 -1.26 -0.94 113.70 118.41 3kah s SER 71 Ca 0.50 0.78 -0.03 0.00 0.70 0.00 0.00 55.95 57.91 3kah s SER 71 Cb 0.14 0.72 0.01 0.00 -1.71 0.00 0.00 66.02 65.18 3kah s SER 71 CO -0.05 -0.34 0.47 -1.54 1.20 0.00 0.00 173.24 172.98 3kah n SER 72 N 1.52 -1.32 0.27 5.45 3.41 -0.40 -4.96 113.62 117.59 3kah n SER 72 Ca -0.14 -2.73 0.18 0.00 -0.26 0.00 0.00 58.87 55.92 3kah n SER 72 Cb 0.57 2.43 0.94 0.00 -0.26 0.00 0.00 64.21 67.89 3kah n SER 72 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 3kah h TRP 73 N 1.93 0.00 0.05 7.33 5.08 -1.92 -3.08 115.95 125.34 3kah h TRP 73 Ca -0.25 0.00 -0.29 0.00 1.08 0.00 0.00 58.89 59.42 3kah h TRP 73 Cb 1.10 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 27.23 3kah h TRP 73 CO 0.00 0.00 -1.61 0.00 -1.28 0.00 0.00 178.44 175.55 3kah h ARG 74 N 0.00 0.10 -2.59 0.12 3.08 -1.92 -3.47 114.38 109.71 3kah h ARG 74 Ca 0.00 -0.17 -0.11 0.00 0.07 0.00 0.00 59.98 59.77 3kah h ARG 74 Cb 0.08 0.06 -0.27 0.00 0.08 0.00 0.00 29.97 29.93 3kah h ARG 74 CO 0.00 0.82 -0.31 -0.65 -1.07 0.00 0.00 179.97 178.76 3kah s GLN 75 N -2.61 0.38 0.34 0.04 -0.21 -1.16 -5.05 119.66 111.38 3kah s GLN 75 Ca -0.08 0.88 0.04 0.00 0.02 0.00 0.00 55.36 56.22 3kah s GLN 75 Cb 0.08 0.09 0.62 0.00 1.00 0.00 0.00 33.01 34.79 3kah s GLN 75 CO 0.82 -0.19 1.90 1.49 -2.12 0.00 0.00 175.29 177.19 3kah h GLU 76 N 7.46 0.57 -4.30 2.91 4.22 -1.91 -1.06 114.58 122.47 3kah h GLU 76 Ca -0.30 -0.10 -0.52 0.00 0.08 0.00 0.00 59.36 58.51 3kah h GLU 76 Cb 1.16 -0.09 -0.36 0.00 0.50 0.00 0.00 28.75 29.96 3kah h GLU 76 CO 0.24 0.55 -0.80 0.21 -2.18 0.00 0.00 179.01 177.02 3kah s LYS 77 N -5.09 1.56 -0.21 1.92 2.20 -1.26 -4.40 119.74 114.45 3kah s LYS 77 Ca -0.08 -0.29 -0.20 0.00 -0.36 0.00 0.00 55.97 55.04 3kah s LYS 77 Cb 0.16 -1.54 -0.02 0.00 -1.51 0.00 0.00 37.83 34.92 3kah s LYS 77 CO 0.76 -0.20 0.61 0.42 -0.36 0.00 0.00 175.35 176.59 3kah s ILE 78 N 1.46 5.03 0.00 5.43 -1.09 -0.12 -4.94 121.20 126.97 3kah s ILE 78 Ca 0.00 1.14 0.00 0.00 -2.23 0.00 0.00 60.65 59.57 3kah s ILE 78 Cb -0.13 -3.93 0.00 0.00 -1.58 0.00 0.00 42.46 36.82 3kah s ILE 78 CO -0.05 0.11 0.19 0.35 -1.23 0.00 0.00 174.94 174.30 3kah n THR 79 N 4.76 0.00 -2.08 2.92 -2.24 -1.26 -4.22 114.28 112.16 3kah n THR 79 Ca -0.02 -0.47 -0.39 0.00 -2.27 0.00 0.00 64.05 60.90 3kah n THR 79 Cb 0.50 1.03 -0.01 0.00 -2.10 0.00 0.00 70.33 69.75 3kah n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kah s ARG 80 N -0.56 3.96 0.62 -0.78 1.70 -1.26 -4.73 118.95 117.89 3kah s ARG 80 Ca 0.00 2.12 -0.15 0.00 -0.47 0.00 0.00 55.73 57.23 3kah s ARG 80 Cb 0.00 -2.73 -0.02 0.00 -0.57 0.00 0.00 34.95 31.62 3kah s ARG 80 CO 0.00 -0.49 1.07 0.95 -1.08 0.00 0.00 175.30 175.75 3kah s THR 81 N -1.28 3.72 0.30 4.99 -4.23 -1.26 -0.79 115.64 117.09 3kah s THR 81 Ca 0.57 0.78 0.07 0.00 -1.18 0.00 0.00 61.69 61.93 3kah s THR 81 Cb -0.37 -3.32 0.30 0.00 1.34 0.00 0.00 72.50 70.45 3kah s THR 81 CO 0.47 -0.51 1.70 0.50 -0.54 0.00 0.00 174.62 176.25 3kah h LYS 82 N 0.22 0.44 -0.31 3.99 3.64 -1.94 -0.88 116.57 121.73 3kah h LYS 82 Ca -0.46 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 58.88 3kah h LYS 82 Cb 1.22 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 3kah h LYS 82 CO 0.57 0.29 0.18 1.49 -2.27 0.00 0.00 179.45 179.70 3kah h GLU 83 N 0.45 0.43 -0.92 1.90 4.81 -1.99 -0.08 114.58 119.19 3kah h GLU 83 Ca 0.60 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.78 3kah h GLU 83 Cb 1.17 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.41 3kah h GLU 83 CO -0.52 0.36 0.55 0.93 -0.73 0.00 0.00 179.01 179.60 3kah h GLU 84 N 0.39 1.24 -0.10 1.92 5.08 -1.66 -1.23 114.58 120.23 3kah h GLU 84 Ca 0.11 -0.11 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 3kah h GLU 84 Cb 0.04 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 3kah h GLU 84 CO -0.02 0.87 -0.43 0.00 -1.00 0.00 0.00 179.01 178.43 3kah h ALA 85 N 1.30 1.09 -0.81 3.43 0.00 -0.84 -1.12 119.26 122.30 3kah h ALA 85 Ca 0.33 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3kah h ALA 85 Cb -0.05 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3kah h ALA 85 CO -0.06 0.60 0.35 1.25 0.00 0.00 0.00 179.25 181.39 3kah h LEU 86 N 0.20 1.10 -0.42 0.00 5.85 -0.33 -1.14 115.31 120.56 3kah h LEU 86 Ca 0.02 -0.16 -0.07 0.00 0.84 0.00 0.00 57.88 58.51 3kah h LEU 86 Cb 0.84 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 3kah h LEU 86 CO 0.07 0.95 -0.02 -0.08 -0.34 0.00 0.00 178.44 179.02 3kah h GLU 87 N 1.17 0.75 -0.30 1.25 4.81 -0.43 0.16 114.58 121.99 3kah h GLU 87 Ca 0.27 -0.25 0.04 0.00 -0.13 0.00 0.00 59.36 59.29 3kah h GLU 87 Cb 0.18 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 3kah h GLU 87 CO -0.03 0.84 0.09 -0.07 -0.73 0.00 0.00 179.01 179.12 3kah h LEU 88 N 0.58 0.09 -0.25 1.64 3.38 -1.08 -0.15 115.31 119.53 3kah h LEU 88 Ca 0.12 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 3kah h LEU 88 Cb 0.52 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3kah h LEU 88 CO 0.03 0.09 0.15 0.40 0.09 0.00 0.00 178.44 179.19 3kah h ILE 89 N 0.22 1.09 -0.69 1.22 1.08 -0.79 0.02 117.51 119.67 3kah h ILE 89 Ca 0.14 -0.22 0.10 0.00 -0.39 0.00 0.00 64.86 64.48 3kah h ILE 89 Cb 0.12 0.80 -0.07 0.00 -3.07 0.00 0.00 36.82 34.59 3kah h ILE 89 CO -0.15 0.09 0.32 0.78 -0.69 0.00 0.00 178.15 178.50 3kah h ASN 90 N 0.31 0.39 -0.41 1.72 2.35 -0.68 -0.19 115.58 119.06 3kah h ASN 90 Ca 0.09 0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.90 3kah h ASN 90 Cb 0.02 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 3kah h ASN 90 CO -0.02 0.22 0.23 1.23 -1.65 0.00 0.00 177.43 177.44 3kah h GLY 91 N 0.54 0.61 0.80 2.83 0.00 -0.58 -0.68 103.07 106.59 3kah h GLY 91 Ca 0.35 -0.27 0.01 0.00 0.00 0.00 0.00 47.33 47.41 3kah h GLY 91 CO -0.29 0.26 -0.14 -0.97 0.00 0.00 0.00 176.54 175.40 3kah h TYR 92 N 0.54 -0.35 -0.59 5.60 0.99 -0.36 -2.23 116.97 120.56 3kah h TYR 92 Ca 0.15 0.00 0.11 0.00 2.00 0.00 0.00 58.73 60.99 3kah h TYR 92 Cb 0.03 0.14 -0.12 0.00 1.00 0.00 0.00 36.73 37.79 3kah h TYR 92 CO -0.03 -0.21 -0.29 0.82 -0.00 0.00 0.00 178.16 178.46 3kah h ILE 93 N -0.29 0.22 -0.84 -2.88 2.04 -0.92 -1.25 117.51 113.60 3kah h ILE 93 Ca 0.01 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.01 3kah h ILE 93 Cb 0.29 0.22 -0.09 0.00 -0.74 0.00 0.00 36.82 36.50 3kah h ILE 93 CO -0.05 0.00 0.44 1.56 0.00 0.00 0.00 178.15 180.10 3kah h GLN 94 N -0.13 0.63 -0.18 2.37 4.20 -0.94 0.30 115.11 121.37 3kah h GLN 94 Ca 0.25 -0.04 -0.14 0.00 0.06 0.00 0.00 58.65 58.78 3kah h GLN 94 Cb 0.53 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 3kah h GLN 94 CO -0.67 0.42 -0.49 0.87 -0.67 0.00 0.00 178.83 178.29 3kah h LYS 95 N 0.65 0.47 -0.32 1.46 1.57 -0.67 -2.19 116.57 117.55 3kah h LYS 95 Ca 0.45 -0.27 -0.15 0.00 -1.87 0.00 0.00 60.65 58.81 3kah h LYS 95 Cb 0.59 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.92 3kah h LYS 95 CO -0.34 0.86 -0.38 0.82 -0.57 0.00 0.00 179.45 179.84 3kah h ILE 96 N 0.38 1.29 -0.13 1.86 2.04 -0.62 -2.05 117.51 120.28 3kah h ILE 96 Ca 0.02 -1.56 -0.15 0.00 1.00 0.00 0.00 64.86 64.17 3kah h ILE 96 Cb 1.00 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.61 3kah h ILE 96 CO 0.09 0.51 -0.55 0.11 0.00 0.00 0.00 178.15 178.31 3kah h LYS 97 N 0.59 0.38 0.00 2.37 1.57 -0.82 -2.20 116.57 118.46 3kah h LYS 97 Ca 0.04 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 3kah h LYS 97 Cb 0.97 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.31 3kah h LYS 97 CO 0.09 0.83 0.00 -1.13 -0.57 0.00 0.00 179.45 178.67 3kah n SER 98 N -3.93 0.32 0.00 0.86 3.41 -0.84 -4.93 113.62 108.52 3kah n SER 98 Ca -0.03 0.55 0.00 0.00 -0.26 0.00 0.00 58.87 59.14 3kah n SER 98 Cb 0.59 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 3kah n SER 98 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kah n GLY 99 N 0.65 1.04 0.23 5.00 0.00 -0.83 -4.94 105.19 106.34 3kah n GLY 99 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3kah n GLY 99 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kah h GLU 100 N 2.76 0.34 -4.90 1.61 5.08 -1.66 -3.43 114.58 114.37 3kah h GLU 100 Ca 0.00 -0.02 -0.33 0.00 -1.00 0.00 0.00 59.36 58.01 3kah h GLU 100 Cb 0.00 -0.08 -0.21 0.00 0.50 0.00 0.00 28.75 28.97 3kah h GLU 100 CO 0.00 0.23 -0.75 -1.21 -1.00 0.00 0.00 179.01 176.28 3kah s GLU 101 N -6.10 0.69 0.18 2.33 0.41 -0.95 -5.04 118.70 110.22 3kah s GLU 101 Ca -0.13 -0.91 0.04 0.00 -0.41 0.00 0.00 54.97 53.56 3kah s GLU 101 Cb 0.17 -0.51 -0.03 0.00 -1.78 0.00 0.00 34.13 31.97 3kah s GLU 101 CO 0.74 0.10 0.27 0.16 -0.49 0.00 0.00 175.26 176.04 3kah s ASP 102 N -1.82 6.17 0.19 -0.19 -4.77 -1.26 -3.88 116.67 111.10 3kah s ASP 102 Ca -0.04 0.08 -0.23 0.00 -3.30 0.00 0.00 52.55 49.07 3kah s ASP 102 Cb -0.08 -1.80 0.10 0.00 -1.09 0.00 0.00 42.92 40.04 3kah s ASP 102 CO 0.01 0.02 1.57 0.15 0.70 0.00 0.00 175.17 177.62 3kah h PHE 103 N 1.95 -1.16 -0.71 2.11 3.57 -1.96 -1.91 116.94 118.82 3kah h PHE 103 Ca -0.49 0.09 -0.02 0.00 3.53 0.00 0.00 57.97 61.08 3kah h PHE 103 Cb 1.20 0.61 -0.03 0.00 2.79 0.00 0.00 35.95 40.52 3kah h PHE 103 CO 0.52 -0.40 0.36 0.93 -2.23 0.00 0.00 178.31 177.49 3kah h GLU 104 N -0.15 1.00 -0.16 1.11 3.07 -1.96 -0.41 114.58 117.08 3kah h GLU 104 Ca 0.23 -0.12 -0.07 0.00 -0.50 0.00 0.00 59.36 58.90 3kah h GLU 104 Cb 0.56 -0.19 -0.00 0.00 -0.84 0.00 0.00 28.75 28.27 3kah h GLU 104 CO -0.76 0.75 -0.17 1.03 -1.40 0.00 0.00 179.01 178.47 3kah h SER 105 N 1.00 0.42 0.37 1.42 0.87 -1.69 -0.84 113.55 115.10 3kah h SER 105 Ca 0.25 -0.48 -0.06 0.00 -1.23 0.00 0.00 61.79 60.27 3kah h SER 105 Cb 0.07 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 3kah h SER 105 CO -0.04 0.82 -0.29 -0.07 -0.53 0.00 0.00 176.83 176.73 3kah h LEU 106 N 0.04 0.00 -0.14 2.23 3.38 -0.91 -2.52 115.31 117.39 3kah h LEU 106 Ca 0.02 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 3kah h LEU 106 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3kah h LEU 106 CO 0.04 0.29 -0.42 0.00 0.09 0.00 0.00 178.44 178.44 3kah h ALA 107 N 1.71 0.23 -0.91 1.53 0.00 -0.87 0.99 119.26 121.95 3kah h ALA 107 Ca -0.00 -0.47 0.12 0.00 0.00 0.00 0.00 54.91 54.56 3kah h ALA 107 Cb 0.55 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.24 3kah h ALA 107 CO 0.04 0.35 0.59 0.77 0.00 0.00 0.00 179.25 180.99 3kah h SER 108 N 0.14 0.77 0.38 0.00 0.02 -1.02 -1.18 113.55 112.66 3kah h SER 108 Ca -0.01 0.03 -0.29 0.00 -0.84 0.00 0.00 61.79 60.68 3kah h SER 108 Cb 1.04 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 63.40 3kah h SER 108 CO 0.09 0.42 -1.86 0.00 -1.14 0.00 0.00 176.83 174.34 3kah n GLN 109 N -4.56 0.65 0.00 3.45 6.02 -0.96 -4.68 117.38 117.29 3kah n GLN 109 Ca 0.17 0.20 0.00 0.00 -0.01 0.00 0.00 57.00 57.36 3kah n GLN 109 Cb 0.38 -1.72 0.00 0.00 1.02 0.00 0.00 30.24 29.92 3kah n GLN 109 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3kah n PHE 110 N -2.94 0.00 -2.20 1.08 3.01 0.33 -5.03 117.46 111.72 3kah n PHE 110 Ca -0.20 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 57.85 3kah n PHE 110 Cb 1.05 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.49 3kah n PHE 110 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3kah s SER 111 N -0.67 6.89 0.00 4.37 0.15 -0.46 -4.88 113.70 119.11 3kah s SER 111 Ca 0.00 2.47 0.10 0.00 0.70 0.00 0.00 55.95 59.22 3kah s SER 111 Cb 0.00 -2.62 0.56 0.00 -1.71 0.00 0.00 66.02 62.25 3kah s SER 111 CO 0.00 -0.50 1.36 0.47 1.20 0.00 0.00 173.24 175.77 3kah n ASP 112 N 2.06 0.08 -4.88 5.45 8.00 0.65 -4.73 116.55 123.18 3kah n ASP 112 Ca 0.04 -1.71 -0.35 0.00 0.71 0.00 0.00 54.79 53.48 3kah n ASP 112 Cb 0.43 -0.01 -0.05 0.00 -0.02 0.00 0.00 41.12 41.46 3kah n ASP 112 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kah n SER 114 N 1.08 0.58 0.00 0.00 3.41 -1.26 -1.37 113.62 116.06 3kah n SER 114 Ca -0.11 0.77 0.09 0.00 -0.26 0.00 0.00 58.87 59.36 3kah n SER 114 Cb 0.53 -0.85 0.41 0.00 -0.26 0.00 0.00 64.21 64.04 3kah n SER 114 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3kah n SER 115 N -2.28 0.00 -0.33 4.04 3.41 -1.26 -3.35 113.62 113.85 3kah n SER 115 Ca -0.01 0.26 0.18 0.00 -0.26 0.00 0.00 58.87 59.03 3kah n SER 115 Cb 0.04 -0.39 0.38 0.00 -0.26 0.00 0.00 64.21 63.98 3kah n SER 115 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kah h ALA 116 N 2.73 1.71 0.00 7.33 0.00 -1.46 0.31 119.26 129.87 3kah h ALA 116 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3kah h ALA 116 Cb 0.23 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3kah h ALA 116 CO 0.00 -0.37 0.00 1.57 0.00 0.00 0.00 179.25 180.45 3kah h LYS 117 N 0.45 0.00 -0.68 0.00 2.10 -1.81 0.21 116.57 116.85 3kah h LYS 117 Ca 0.64 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 59.05 3kah h LYS 117 Cb 1.29 0.00 -0.14 0.00 -0.90 0.00 0.00 32.23 32.47 3kah h LYS 117 CO -0.53 0.00 0.26 0.00 -2.00 0.00 0.00 179.45 177.17 3kah n ALA 118 N -1.82 4.54 -2.32 0.07 0.00 0.97 -4.90 120.51 117.05 3kah n ALA 118 Ca 0.01 -2.55 -0.17 0.00 0.00 0.00 0.00 53.44 50.73 3kah n ALA 118 Cb 0.17 -1.15 -0.01 0.00 0.00 0.00 0.00 19.45 18.46 3kah n ALA 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kah n ARG 119 N -0.49 -1.37 -0.91 0.00 1.74 0.75 -0.99 116.66 115.38 3kah n ARG 119 Ca 0.41 0.84 0.00 0.00 -0.77 0.00 0.00 57.85 58.33 3kah n ARG 119 Cb 1.34 -5.29 0.00 0.00 -1.02 0.00 0.00 32.46 27.49 3kah n ARG 119 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kah n GLY 120 N -1.01 1.11 3.75 -0.13 0.00 -0.51 -4.64 105.19 103.75 3kah n GLY 120 Ca -0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 3kah n GLY 120 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kah s ASP 121 N -3.06 7.01 0.00 1.61 2.15 -0.16 -0.94 116.67 123.28 3kah s ASP 121 Ca 0.00 2.36 0.10 0.00 0.43 0.00 0.00 52.55 55.44 3kah s ASP 121 Cb 0.00 -2.62 -0.00 0.00 -0.30 0.00 0.00 42.92 40.00 3kah s ASP 121 CO 0.00 -0.41 0.63 0.18 -0.17 0.00 0.00 175.17 175.41 3kah n LEU 122 N 2.07 1.22 0.00 -1.34 4.77 -0.31 -4.83 117.00 118.59 3kah n LEU 122 Ca 0.03 -0.77 0.04 0.00 -0.03 0.00 0.00 56.01 55.28 3kah n LEU 122 Cb 0.44 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.52 3kah n LEU 122 CO 0.57 0.25 -0.05 0.61 -1.33 0.00 0.00 177.39 177.43 3kah n GLY 123 N 0.88 -1.83 3.81 -0.72 0.00 -1.25 -4.88 105.19 101.19 3kah n GLY 123 Ca 0.04 -1.30 -0.35 0.00 0.00 0.00 0.00 46.02 44.41 3kah n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kah s ALA 124 N -1.47 3.30 0.15 4.61 0.00 -1.26 -3.76 121.76 123.32 3kah s ALA 124 Ca 0.00 0.27 -0.11 0.00 0.00 0.00 0.00 51.96 52.12 3kah s ALA 124 Cb 0.00 -2.95 0.00 0.00 0.00 0.00 0.00 23.12 20.17 3kah s ALA 124 CO 0.00 0.26 0.30 -0.59 0.00 0.00 0.00 175.76 175.74 3kah s PHE 125 N -1.71 0.21 0.47 0.00 -0.12 -0.02 -4.96 117.98 111.85 3kah s PHE 125 Ca 0.49 -0.58 0.06 0.00 -0.05 0.00 0.00 56.93 56.85 3kah s PHE 125 Cb -0.15 0.03 -0.01 0.00 -0.63 0.00 0.00 43.02 42.26 3kah s PHE 125 CO 0.20 -0.70 0.27 -1.54 -0.05 0.00 0.00 175.22 173.40 3kah s SER 126 N -2.91 4.56 0.37 1.98 1.04 -1.26 -1.16 113.70 116.31 3kah s SER 126 Ca 0.12 -1.15 -0.28 0.00 0.48 0.00 0.00 55.95 55.11 3kah s SER 126 Cb 0.03 -0.05 -0.11 0.00 0.10 0.00 0.00 66.02 65.99 3kah s SER 126 CO -0.04 -0.80 1.43 -0.13 0.98 0.00 0.00 173.24 174.68 3kah s ARG 127 N -4.07 4.17 0.00 4.02 0.52 -1.26 -3.06 118.95 119.26 3kah s ARG 127 Ca 0.36 2.47 0.00 0.00 -0.52 0.00 0.00 55.73 58.03 3kah s ARG 127 Cb 0.00 -2.99 0.00 0.00 0.52 0.00 0.00 34.95 32.49 3kah s ARG 127 CO 0.21 -0.44 0.00 0.41 0.02 0.00 0.00 175.30 175.49 3kah n GLY 128 N 0.56 1.44 0.08 -3.53 0.00 -1.26 -4.97 105.19 97.51 3kah n GLY 128 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 3kah n GLY 128 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3kah h GLN 129 N 0.20 0.00 -6.59 1.61 4.20 -1.97 -3.47 115.11 109.09 3kah h GLN 129 Ca 0.00 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 58.21 3kah h GLN 129 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3kah h GLN 129 CO 0.00 0.72 -0.10 -1.64 -0.67 0.00 0.00 178.83 177.15 3kah s MET 130 N -2.23 3.58 0.16 1.46 -1.94 -1.26 -5.03 119.30 114.04 3kah s MET 130 Ca -0.21 -0.03 -0.33 0.00 -1.71 0.00 0.00 55.69 53.41 3kah s MET 130 Cb 0.02 -2.59 -0.16 0.00 2.01 0.00 0.00 34.83 34.11 3kah s MET 130 CO 0.49 0.11 1.09 1.04 -0.01 0.00 0.00 175.02 177.74 3kah n GLN 131 N -1.42 0.93 -0.27 2.03 6.02 -1.26 -4.57 117.38 118.85 3kah n GLN 131 Ca -0.02 0.33 0.06 0.00 -0.01 0.00 0.00 57.00 57.36 3kah n GLN 131 Cb 0.55 -1.78 0.20 0.00 1.02 0.00 0.00 30.24 30.23 3kah n GLN 131 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 3kah h LYS 132 N 3.10 0.44 -0.43 -1.09 1.63 -1.97 -0.57 116.57 117.68 3kah h LYS 132 Ca -0.43 -0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 59.31 3kah h LYS 132 Cb 1.36 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 32.87 3kah h LYS 132 CO 0.68 0.29 0.11 -1.35 -3.45 0.00 0.00 179.45 175.74 3kah h PRO 133 N 0.45 0.63 -0.06 1.90 0.11 -1.88 0.78 132.00 133.93 3kah h PRO 133 Ca 0.44 -0.11 -0.02 0.00 0.11 0.00 0.00 66.00 66.42 3kah h PRO 133 Cb 0.68 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.68 3kah h PRO 133 CO -0.42 0.57 -0.04 0.35 -0.21 0.00 0.00 178.00 178.25 3kah h PHE 134 N 0.62 0.16 -0.03 0.65 3.57 -1.46 -2.70 116.94 117.74 3kah h PHE 134 Ca 0.14 -0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.63 3kah h PHE 134 Cb 0.22 -0.03 -0.06 0.00 2.79 0.00 0.00 35.95 38.86 3kah h PHE 134 CO 0.01 0.54 -0.41 1.49 -2.23 0.00 0.00 178.31 177.71 3kah h GLU 135 N -0.28 -0.53 -0.71 1.11 4.81 -0.99 -1.12 114.58 116.88 3kah h GLU 135 Ca 0.01 0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.35 3kah h GLU 135 Cb 0.51 0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.95 3kah h GLU 135 CO 0.01 -0.35 0.39 -0.44 -0.73 0.00 0.00 179.01 177.89 3kah h ASP 136 N -0.55 0.57 -0.08 1.04 3.32 -0.90 -0.57 116.42 119.25 3kah h ASP 136 Ca 0.06 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 3kah h ASP 136 Cb 0.64 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.12 3kah h ASP 136 CO -0.33 0.35 0.04 0.00 -1.72 0.00 0.00 179.24 177.58 3kah h ALA 137 N 1.39 0.11 -0.27 3.45 0.00 -1.35 0.02 119.26 122.60 3kah h ALA 137 Ca 0.33 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.20 3kah h ALA 137 Cb 0.25 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3kah h ALA 137 CO -0.21 -0.34 0.12 0.77 0.00 0.00 0.00 179.25 179.59 3kah h SER 138 N 0.02 0.17 0.87 0.00 0.02 -0.49 -0.49 113.55 113.65 3kah h SER 138 Ca 0.03 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3kah h SER 138 Cb 0.10 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.63 3kah h SER 138 CO -0.00 0.14 0.00 -0.26 -1.14 0.00 0.00 176.83 175.56 3kah h PHE 139 N 0.27 0.00 0.00 3.45 -1.00 -0.99 -2.82 116.94 115.84 3kah h PHE 139 Ca 0.11 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.79 3kah h PHE 139 Cb 0.05 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.59 3kah h PHE 139 CO -0.11 0.00 -0.68 0.00 -1.61 0.00 0.00 178.31 175.92 3kah h ALA 140 N 2.19 0.69 -2.48 2.45 0.00 0.60 -3.46 119.26 119.25 3kah h ALA 140 Ca 0.00 -0.47 -0.48 0.00 0.00 0.00 0.00 54.91 53.96 3kah h ALA 140 Cb 0.43 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3kah h ALA 140 CO 0.00 0.59 0.39 -0.51 0.00 0.00 0.00 179.25 179.72 3kah s LEU 141 N -6.23 4.22 0.44 0.00 1.43 -0.69 -4.91 118.68 112.93 3kah s LEU 141 Ca 0.03 1.97 -0.01 0.00 -1.03 0.00 0.00 54.13 55.08 3kah s LEU 141 Cb 0.08 -4.12 -0.02 0.00 0.03 0.00 0.00 46.19 42.16 3kah s LEU 141 CO 0.76 -0.33 0.68 -0.13 0.23 0.00 0.00 176.35 177.56 3kah s ARG 142 N -2.33 3.28 -0.07 1.70 3.00 -1.26 -4.98 118.95 118.29 3kah s ARG 142 Ca 0.55 -0.24 -0.40 0.00 0.00 0.00 0.00 55.73 55.64 3kah s ARG 142 Cb -0.21 -2.52 -0.18 0.00 0.00 0.00 0.00 34.95 32.04 3kah s ARG 142 CO 0.26 -0.17 1.35 2.41 0.00 0.00 0.00 175.30 179.16 3kah n THR 143 N -2.08 0.05 -0.10 0.02 -1.04 -1.26 -0.95 114.28 108.92 3kah n THR 143 Ca -0.00 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 3kah n THR 143 Cb 0.57 -0.59 0.00 0.00 -1.82 0.00 0.00 70.33 68.49 3kah n THR 143 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kah n GLY 144 N 2.65 1.60 3.89 3.41 0.00 0.11 -5.01 105.19 111.85 3kah n GLY 144 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 3kah n GLY 144 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kah s GLU 145 N -0.41 3.70 -0.01 1.61 2.02 -0.12 -4.85 118.70 120.64 3kah s GLU 145 Ca 0.00 0.29 0.07 0.00 0.02 0.00 0.00 54.97 55.35 3kah s GLU 145 Cb 0.00 -2.47 -0.02 0.00 0.10 0.00 0.00 34.13 31.74 3kah s GLU 145 CO 0.00 0.02 -0.23 1.41 0.02 0.00 0.00 175.26 176.48 3kah s MET 146 N -3.87 2.12 0.73 1.61 -2.45 -1.26 -2.19 119.30 113.98 3kah s MET 146 Ca 0.48 -0.93 -0.11 0.00 -1.25 0.00 0.00 55.69 53.88 3kah s MET 146 Cb -0.10 -2.10 0.03 0.00 1.25 0.00 0.00 34.83 33.91 3kah s MET 146 CO 0.33 0.56 1.11 -1.54 1.05 0.00 0.00 175.02 176.52 3kah s SER 147 N -0.83 5.18 0.15 1.11 1.04 -0.11 -4.72 113.70 115.52 3kah s SER 147 Ca 0.11 0.99 0.00 0.00 0.48 0.00 0.00 55.95 57.53 3kah s SER 147 Cb -0.10 -1.71 0.00 0.00 0.10 0.00 0.00 66.02 64.31 3kah s SER 147 CO 0.00 -1.49 0.00 0.61 0.98 0.00 0.00 173.24 173.35 3kah n GLY 148 N -3.06 -0.01 3.68 7.32 0.00 0.62 -4.54 105.19 109.19 3kah n GLY 148 Ca 0.07 -1.76 -0.47 0.00 0.00 0.00 0.00 46.02 43.86 3kah n GLY 148 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kah n PRO 149 N -0.21 2.26 -4.59 1.61 -0.02 -1.26 -4.54 135.00 128.26 3kah n PRO 149 Ca 0.00 0.82 -0.31 0.00 -2.02 0.00 0.00 63.50 61.99 3kah n PRO 149 Cb 0.00 -2.65 -0.17 0.00 -0.02 0.00 0.00 33.50 30.66 3kah n PRO 149 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3kah s VAL 150 N 2.75 1.87 -0.24 -1.45 1.01 -0.51 -4.69 120.40 119.14 3kah s VAL 150 Ca 0.86 -0.86 -0.16 0.00 0.00 0.00 0.00 61.98 61.82 3kah s VAL 150 Cb -0.65 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 3kah s VAL 150 CO 0.44 0.51 0.41 -0.36 0.00 0.00 0.00 175.10 176.11 3kah s PHE 151 N 0.89 3.30 0.33 5.22 0.40 -1.26 -0.61 117.98 126.25 3kah s PHE 151 Ca -0.07 0.54 0.01 0.00 -0.60 0.00 0.00 56.93 56.82 3kah s PHE 151 Cb -0.15 -2.58 -0.00 0.00 0.51 0.00 0.00 43.02 40.79 3kah s PHE 151 CO -0.02 -0.15 0.04 0.25 0.70 0.00 0.00 175.22 176.04 3kah n THR 152 N 4.79 0.00 0.27 0.64 -2.24 0.79 -4.77 114.28 113.76 3kah n THR 152 Ca -0.07 -1.68 0.14 0.00 -2.27 0.00 0.00 64.05 60.17 3kah n THR 152 Cb 0.51 0.43 0.75 0.00 -2.10 0.00 0.00 70.33 69.91 3kah n THR 152 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3kah h ASP 153 N 0.96 0.00 0.80 3.42 3.32 -1.98 -2.96 116.42 119.98 3kah h ASP 153 Ca -0.27 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.62 3kah h ASP 153 Cb 0.88 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.41 3kah h ASP 153 CO 0.44 0.10 -0.74 0.28 -1.72 0.00 0.00 179.24 177.60 3kah h SER 154 N 0.00 0.00 0.00 6.45 0.02 -1.94 0.55 113.55 118.63 3kah h SER 154 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3kah h SER 154 Cb 0.38 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.92 3kah h SER 154 CO 0.01 0.74 0.00 0.61 -1.14 0.00 0.00 176.83 177.05 3kah n GLY 155 N 0.68 -0.09 3.38 -3.77 0.00 -1.12 -4.52 105.19 99.75 3kah n GLY 155 Ca -0.01 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 44.81 3kah n GLY 155 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kah s ILE 156 N -4.00 2.96 0.19 -0.61 1.01 -0.93 -0.15 121.20 119.67 3kah s ILE 156 Ca 0.00 -0.71 0.10 0.00 0.00 0.00 0.00 60.65 60.04 3kah s ILE 156 Cb 0.00 -2.22 -0.04 0.00 0.01 0.00 0.00 42.46 40.21 3kah s ILE 156 CO 0.00 0.54 -0.16 -1.00 0.00 0.00 0.00 174.94 174.32 3kah s HIS 157 N 0.14 2.49 -0.08 3.97 3.76 0.22 -1.37 115.29 124.43 3kah s HIS 157 Ca -0.07 -0.28 -0.00 0.00 -0.15 0.00 0.00 55.06 54.56 3kah s HIS 157 Cb -0.15 -1.22 -0.03 0.00 1.11 0.00 0.00 32.58 32.29 3kah s HIS 157 CO 0.05 0.51 -0.05 0.42 -0.85 0.00 0.00 174.74 174.82 3kah s ILE 158 N -1.70 3.83 -0.00 0.60 1.01 -0.10 -1.42 121.20 123.42 3kah s ILE 158 Ca 0.23 -0.43 0.07 0.00 0.00 0.00 0.00 60.65 60.52 3kah s ILE 158 Cb -0.08 -2.58 -0.02 0.00 0.01 0.00 0.00 42.46 39.78 3kah s ILE 158 CO 0.13 0.59 -0.21 -0.63 0.00 0.00 0.00 174.94 174.82 3kah s ILE 159 N -0.72 1.66 -0.13 2.92 1.01 -1.26 -0.40 121.20 124.28 3kah s ILE 159 Ca 0.11 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 59.79 3kah s ILE 159 Cb -0.11 -1.39 0.02 0.00 0.01 0.00 0.00 42.46 40.99 3kah s ILE 159 CO 0.02 0.40 -0.11 -0.22 0.00 0.00 0.00 174.94 175.03 3kah s LEU 160 N -0.67 1.42 -0.17 2.97 2.96 -0.14 -0.93 118.68 124.12 3kah s LEU 160 Ca 0.08 -0.38 -0.27 0.00 -0.22 0.00 0.00 54.13 53.34 3kah s LEU 160 Cb -0.08 -0.99 -0.01 0.00 0.50 0.00 0.00 46.19 45.61 3kah s LEU 160 CO -0.00 -0.08 0.91 -0.60 -1.32 0.00 0.00 176.35 175.25 3kah s ARG 161 N 1.56 4.31 -0.11 1.98 3.52 -0.93 -1.02 118.95 128.26 3kah s ARG 161 Ca 0.04 1.15 0.14 0.00 -0.13 0.00 0.00 55.73 56.94 3kah s ARG 161 Cb -0.13 -3.58 -0.21 0.00 -1.56 0.00 0.00 34.95 29.47 3kah s ARG 161 CO -0.09 -0.39 0.15 0.25 -0.81 0.00 0.00 175.30 174.41 3kah n THR 162 N 4.84 0.73 -1.06 4.11 -2.24 0.57 0.08 114.28 121.31 3kah n THR 162 Ca 0.07 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 3kah n THR 162 Cb 0.48 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 3kah n THR 162 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88