#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kf2 s VAL 29 N 0.00 3.32 0.11 1.69 -7.23 -1.26 -5.05 120.40 111.98 3kf2 s VAL 29 Ca 0.00 1.23 0.02 0.00 -1.81 0.00 0.00 61.98 61.42 3kf2 s VAL 29 Cb 0.00 -3.74 -0.04 0.00 0.56 0.00 0.00 36.38 33.16 3kf2 s VAL 29 CO 0.00 0.21 0.20 -1.61 -0.31 0.00 0.00 175.10 173.59 3kf2 s GLU 30 N -1.86 3.25 0.07 4.82 2.02 -1.26 -4.97 118.70 120.77 3kf2 s GLU 30 Ca 0.50 -0.61 0.07 0.00 0.02 0.00 0.00 54.97 54.95 3kf2 s GLU 30 Cb -0.31 -2.89 -0.04 0.00 0.10 0.00 0.00 34.13 30.99 3kf2 s GLU 30 CO 0.40 0.55 -0.12 0.20 0.02 0.00 0.00 175.26 176.31 3kf2 s GLY 31 N -2.83 1.72 0.10 -1.39 0.00 -0.82 -4.85 107.32 99.26 3kf2 s GLY 31 Ca 0.33 -1.21 0.18 0.00 0.00 0.00 0.00 44.72 44.02 3kf2 s GLY 31 CO 0.26 -1.14 0.91 0.83 0.00 0.00 0.00 173.10 173.96 3kf2 h GLU 32 N 4.00 0.00 -5.43 2.90 3.07 -1.90 -1.93 114.58 115.29 3kf2 h GLU 32 Ca -0.49 0.00 -0.65 0.00 -0.50 0.00 0.00 59.36 57.72 3kf2 h GLU 32 Cb 1.16 0.00 -0.25 0.00 -0.84 0.00 0.00 28.75 28.83 3kf2 h GLU 32 CO 0.51 0.24 -0.73 0.08 -1.40 0.00 0.00 179.01 177.71 3kf2 s VAL 33 N -3.01 3.33 -0.04 3.13 1.01 -1.26 -1.02 120.40 122.54 3kf2 s VAL 33 Ca -0.02 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.41 3kf2 s VAL 33 Cb 0.09 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 3kf2 s VAL 33 CO 0.80 0.52 -0.09 0.00 0.00 0.00 0.00 175.10 176.34 3kf2 s GLN 34 N 0.21 2.61 -0.09 2.72 0.00 -0.18 -4.97 119.66 119.96 3kf2 s GLN 34 Ca -0.06 -0.64 -0.22 0.00 -0.00 0.00 0.00 55.36 54.44 3kf2 s GLN 34 Cb -0.15 -2.50 -0.04 0.00 0.00 0.00 0.00 33.01 30.32 3kf2 s GLN 34 CO 0.04 0.64 0.64 0.42 0.00 0.00 0.00 175.29 177.03 3kf2 s ILE 35 N -0.84 5.08 0.03 3.63 1.01 -1.26 -0.83 121.20 128.03 3kf2 s ILE 35 Ca 0.13 1.30 0.02 0.00 0.00 0.00 0.00 60.65 62.10 3kf2 s ILE 35 Cb -0.11 -3.98 -0.02 0.00 0.01 0.00 0.00 42.46 38.37 3kf2 s ILE 35 CO 0.03 0.26 -0.07 -0.69 0.00 0.00 0.00 174.94 174.46 3kf2 s VAL 36 N 0.85 0.51 0.00 2.92 1.01 -0.39 -4.97 120.40 120.33 3kf2 s VAL 36 Ca 0.34 -0.87 -0.06 0.00 0.00 0.00 0.00 61.98 61.38 3kf2 s VAL 36 Cb -0.17 -0.55 -0.00 0.00 0.00 0.00 0.00 36.38 35.66 3kf2 s VAL 36 CO 0.15 -0.26 0.11 -0.44 0.00 0.00 0.00 175.10 174.67 3kf2 s SER 37 N -1.23 0.04 0.49 3.32 0.01 -1.26 -0.91 113.70 114.16 3kf2 s SER 37 Ca -0.07 -0.20 0.02 0.00 1.31 0.00 0.00 55.95 57.00 3kf2 s SER 37 Cb -0.08 0.20 -0.02 0.00 0.21 0.00 0.00 66.02 66.33 3kf2 s SER 37 CO 0.00 -0.33 0.02 0.42 0.41 0.00 0.00 173.24 173.76 3kf2 s THR 38 N -1.25 1.19 0.42 1.44 -4.23 -0.62 -5.01 115.64 107.57 3kf2 s THR 38 Ca -0.13 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 58.54 3kf2 s THR 38 Cb -0.07 -2.27 0.37 0.00 1.34 0.00 0.00 72.50 71.87 3kf2 s THR 38 CO 0.01 0.00 1.87 0.00 -0.54 0.00 0.00 174.62 175.96 3kf2 h ALA 39 N 1.44 2.15 0.00 3.99 0.00 -2.01 -3.26 119.26 121.57 3kf2 h ALA 39 Ca -0.43 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.42 3kf2 h ALA 39 Cb 1.30 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 3kf2 h ALA 39 CO 0.73 -0.41 -1.73 0.25 0.00 0.00 0.00 179.25 178.10 3kf2 n THR 40 N -4.51 0.25 -4.18 0.00 -2.24 -1.26 -5.06 114.28 97.29 3kf2 n THR 40 Ca 0.18 -0.39 -0.17 0.00 -2.27 0.00 0.00 64.05 61.39 3kf2 n THR 40 Cb 0.63 -0.05 -0.06 0.00 -2.10 0.00 0.00 70.33 68.75 3kf2 n THR 40 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kf2 n GLN 41 N -2.13 0.55 -3.80 -0.78 10.64 -1.23 -5.16 117.38 115.46 3kf2 n GLN 41 Ca -0.08 -3.09 -0.13 0.00 -1.83 0.00 0.00 57.00 51.88 3kf2 n GLN 41 Cb 0.53 2.72 -0.12 0.00 -0.86 0.00 0.00 30.24 32.51 3kf2 n GLN 41 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.06 175.15 3kf2 s THR 42 N -3.10 -0.00 0.00 -0.39 -1.32 -1.26 -1.59 115.64 107.98 3kf2 s THR 42 Ca 0.35 0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.84 3kf2 s THR 42 Cb 0.01 -0.28 0.00 0.00 -1.51 0.00 0.00 72.50 70.71 3kf2 s THR 42 CO 0.25 0.00 0.00 2.22 -2.21 0.00 0.00 174.62 174.88 3kf2 n PHE 43 N 3.04 -0.03 -4.40 9.09 -1.74 -0.08 -4.35 117.46 118.99 3kf2 n PHE 43 Ca -0.13 0.00 -0.25 0.00 -0.56 0.00 0.00 57.45 56.51 3kf2 n PHE 43 Cb 0.58 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 41.47 3kf2 n PHE 43 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 3kf2 s LEU 44 N 0.00 2.45 0.16 5.98 1.43 -0.19 -1.26 118.68 127.25 3kf2 s LEU 44 Ca 0.00 -0.88 0.07 0.00 -1.03 0.00 0.00 54.13 52.28 3kf2 s LEU 44 Cb 0.00 -1.05 -0.04 0.00 0.03 0.00 0.00 46.19 45.13 3kf2 s LEU 44 CO 0.00 0.06 -0.14 0.00 0.23 0.00 0.00 176.35 176.50 3kf2 s ALA 45 N -1.88 1.72 -0.03 4.21 0.00 -0.01 -3.96 121.76 121.81 3kf2 s ALA 45 Ca 0.20 -1.48 0.01 0.00 0.00 0.00 0.00 51.96 50.69 3kf2 s ALA 45 Cb -0.07 -0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.01 3kf2 s ALA 45 CO 0.09 0.06 -0.01 0.99 0.00 0.00 0.00 175.76 176.90 3kf2 s THR 46 N -2.65 0.27 -0.20 0.00 2.01 0.55 -1.01 115.64 114.60 3kf2 s THR 46 Ca 0.16 0.03 -0.21 0.00 0.31 0.00 0.00 61.69 61.98 3kf2 s THR 46 Cb -0.02 -0.34 -0.02 0.00 0.01 0.00 0.00 72.50 72.13 3kf2 s THR 46 CO 0.04 0.16 0.63 0.00 -0.69 0.00 0.00 174.62 174.77 3kf2 s ILE 48 N 1.92 -0.02 -1.49 0.00 1.01 0.31 -0.24 121.20 122.68 3kf2 s ILE 48 Ca 0.29 0.16 -0.05 0.00 0.00 0.00 0.00 60.65 61.05 3kf2 s ILE 48 Cb -0.16 -0.09 0.04 0.00 0.01 0.00 0.00 42.46 42.27 3kf2 s ILE 48 CO 0.10 0.08 0.52 0.59 0.00 0.00 0.00 174.94 176.24 3kf2 n ASN 49 N 3.98 -1.23 0.00 3.58 3.02 -1.26 -1.64 115.26 121.71 3kf2 n ASN 49 Ca -0.25 -1.01 0.00 0.00 -0.03 0.00 0.00 54.58 53.29 3kf2 n ASN 49 Cb 0.52 -2.97 0.00 0.00 -0.61 0.00 0.00 39.78 36.72 3kf2 n ASN 49 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kf2 n GLY 50 N -1.84 0.69 3.44 7.41 0.00 -1.26 -4.99 105.19 108.64 3kf2 n GLY 50 Ca -0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 3kf2 n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kf2 s VAL 51 N -2.97 2.93 -0.41 1.61 1.01 -0.65 -2.24 120.40 119.68 3kf2 s VAL 51 Ca 0.00 -0.77 -0.19 0.00 0.00 0.00 0.00 61.98 61.02 3kf2 s VAL 51 Cb 0.00 -2.14 0.02 0.00 0.00 0.00 0.00 36.38 34.25 3kf2 s VAL 51 CO 0.00 0.58 0.57 0.00 0.00 0.00 0.00 175.10 176.25 3kf2 s TRP 53 N 2.56 3.01 0.30 0.00 0.52 0.22 -0.76 118.94 124.77 3kf2 s TRP 53 Ca 0.19 0.05 -0.06 0.00 0.02 0.00 0.00 56.10 56.31 3kf2 s TRP 53 Cb -0.15 -1.68 0.02 0.00 -1.15 0.00 0.00 33.47 30.52 3kf2 s TRP 53 CO 0.16 0.41 0.49 -2.37 0.02 0.00 0.00 176.95 175.66 3kf2 n THR 54 N 1.69 0.00 -2.77 2.01 5.66 -0.50 -0.33 114.28 120.04 3kf2 n THR 54 Ca -0.16 -1.17 -0.42 0.00 -3.05 0.00 0.00 64.05 59.25 3kf2 n THR 54 Cb 0.53 0.84 -0.03 0.00 -1.55 0.00 0.00 70.33 70.12 3kf2 n THR 54 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 3kf2 s VAL 55 N -2.56 4.89 0.40 1.08 -7.23 -1.26 -1.07 120.40 114.64 3kf2 s VAL 55 Ca 0.19 1.94 0.13 0.00 -1.81 0.00 0.00 61.98 62.42 3kf2 s VAL 55 Cb -0.02 -4.26 0.34 0.00 0.56 0.00 0.00 36.38 32.99 3kf2 s VAL 55 CO 0.14 0.14 1.92 0.22 -0.31 0.00 0.00 175.10 177.21 3kf2 h TYR 56 N 6.86 0.59 0.00 2.82 3.20 -1.47 -1.48 116.97 127.49 3kf2 h TYR 56 Ca -0.39 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.50 3kf2 h TYR 56 Cb 1.20 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 39.28 3kf2 h TYR 56 CO 0.68 0.24 0.00 -2.39 -1.64 0.00 0.00 178.16 175.05 3kf2 n HIS 57 N -4.50 0.00 -0.07 -3.82 1.44 -1.26 0.05 115.22 107.05 3kf2 n HIS 57 Ca 0.14 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.71 3kf2 n HIS 57 Cb 0.46 -0.36 -0.05 0.00 0.12 0.00 0.00 29.99 30.17 3kf2 n HIS 57 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3kf2 n GLY 58 N -0.11 -0.31 0.08 -1.39 0.00 -0.68 -4.73 105.19 98.04 3kf2 n GLY 58 Ca 0.05 -0.13 -0.05 0.00 0.00 0.00 0.00 46.02 45.89 3kf2 n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kf2 h ALA 59 N -0.64 0.49 -0.98 4.61 0.00 -1.30 -3.48 119.26 117.96 3kf2 h ALA 59 Ca -0.29 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 53.79 3kf2 h ALA 59 Cb 1.13 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3kf2 h ALA 59 CO -0.18 1.13 0.00 0.41 0.00 0.00 0.00 179.25 180.61 3kf2 n GLY 60 N 1.12 3.98 0.52 0.00 0.00 0.11 -2.25 105.19 108.67 3kf2 n GLY 60 Ca -0.00 0.03 0.05 0.00 0.00 0.00 0.00 46.02 46.10 3kf2 n GLY 60 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3kf2 n THR 61 N 0.00 0.68 -0.97 2.61 5.66 -1.26 -4.83 114.28 116.17 3kf2 n THR 61 Ca 0.00 -0.84 -0.33 0.00 -3.05 0.00 0.00 64.05 59.83 3kf2 n THR 61 Cb 0.00 0.73 0.13 0.00 -1.55 0.00 0.00 70.33 69.64 3kf2 n THR 61 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3kf2 n ARG 62 N 0.47 -0.04 -2.23 1.09 1.74 -0.95 -4.83 116.66 111.90 3kf2 n ARG 62 Ca 0.09 0.06 -0.29 0.00 -0.77 0.00 0.00 57.85 56.94 3kf2 n ARG 62 Cb 0.36 -2.20 0.02 0.00 -1.02 0.00 0.00 32.46 29.62 3kf2 n ARG 62 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3kf2 s THR 63 N -2.25 4.16 -0.02 0.55 -4.23 -1.26 -4.51 115.64 108.07 3kf2 s THR 63 Ca 0.67 0.35 -0.00 0.00 -1.18 0.00 0.00 61.69 61.52 3kf2 s THR 63 Cb -0.27 -3.65 -0.04 0.00 1.34 0.00 0.00 72.50 69.88 3kf2 s THR 63 CO 0.57 -0.74 0.04 -0.51 -0.54 0.00 0.00 174.62 173.44 3kf2 s ILE 64 N -3.05 4.51 0.44 2.99 2.07 -0.41 -4.87 121.20 122.87 3kf2 s ILE 64 Ca 0.53 -0.41 -0.23 0.00 -1.41 0.00 0.00 60.65 59.13 3kf2 s ILE 64 Cb -0.11 -3.01 -0.08 0.00 0.13 0.00 0.00 42.46 39.40 3kf2 s ILE 64 CO 0.48 0.42 1.14 0.00 -1.91 0.00 0.00 174.94 175.08 3kf2 s ALA 65 N -1.09 3.02 0.09 1.50 0.00 -1.26 -1.12 121.76 122.90 3kf2 s ALA 65 Ca 0.20 0.89 -0.10 0.00 0.00 0.00 0.00 51.96 52.94 3kf2 s ALA 65 Cb -0.12 -3.36 0.01 0.00 0.00 0.00 0.00 23.12 19.65 3kf2 s ALA 65 CO 0.10 -0.55 0.24 -1.54 0.00 0.00 0.00 175.76 174.01 3kf2 s SER 66 N -1.38 0.03 0.19 0.00 1.04 -1.18 -4.87 113.70 107.54 3kf2 s SER 66 Ca 0.62 -0.54 0.14 0.00 0.48 0.00 0.00 55.95 56.64 3kf2 s SER 66 Cb -0.27 0.36 0.72 0.00 0.10 0.00 0.00 66.02 66.94 3kf2 s SER 66 CO 0.34 -0.74 1.42 -0.81 0.98 0.00 0.00 173.24 174.43 3kf2 n PRO 67 N -0.02 0.09 -0.27 4.02 -0.04 -1.26 -0.96 135.00 136.56 3kf2 n PRO 67 Ca -0.16 0.57 0.10 0.00 -0.04 0.00 0.00 63.50 63.97 3kf2 n PRO 67 Cb 0.62 -1.78 0.25 0.00 -0.04 0.00 0.00 33.50 32.55 3kf2 n PRO 67 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3kf2 n LYS 68 N -1.96 2.61 0.00 0.54 5.02 -1.26 -5.08 118.16 118.03 3kf2 n LYS 68 Ca -0.01 -2.38 0.00 0.00 -2.02 0.00 0.00 58.31 53.91 3kf2 n LYS 68 Cb 0.03 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.57 3kf2 n LYS 68 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kf2 n GLY 69 N 1.32 1.02 3.76 0.72 0.00 -0.14 -5.04 105.19 106.84 3kf2 n GLY 69 Ca 0.20 -2.13 -0.39 0.00 0.00 0.00 0.00 46.02 43.69 3kf2 n GLY 69 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kf2 s PRO 70 N -1.39 3.65 -0.07 1.61 0.04 -1.26 -3.09 135.00 134.49 3kf2 s PRO 70 Ca 0.00 2.24 0.04 0.00 0.04 0.00 0.00 61.00 63.31 3kf2 s PRO 70 Cb 0.00 -2.57 -0.02 0.00 0.04 0.00 0.00 34.50 31.95 3kf2 s PRO 70 CO 0.00 -0.78 -0.17 0.08 0.04 0.00 0.00 177.00 176.16 3kf2 s VAL 71 N -1.28 2.73 0.38 -0.36 1.01 -0.27 -4.93 120.40 117.68 3kf2 s VAL 71 Ca 0.62 -0.82 -0.24 0.00 0.00 0.00 0.00 61.98 61.54 3kf2 s VAL 71 Cb -0.40 -2.07 -0.10 0.00 0.00 0.00 0.00 36.38 33.81 3kf2 s VAL 71 CO 0.50 0.57 0.97 -0.63 0.00 0.00 0.00 175.10 176.51 3kf2 s ILE 72 N -0.29 4.13 0.27 2.22 1.09 -1.26 -1.29 121.20 126.07 3kf2 s ILE 72 Ca 0.01 1.59 -0.31 0.00 -1.10 0.00 0.00 60.65 60.85 3kf2 s ILE 72 Cb -0.13 -3.80 -0.13 0.00 -1.06 0.00 0.00 42.46 37.34 3kf2 s ILE 72 CO 0.03 -0.03 1.49 0.00 -0.10 0.00 0.00 174.94 176.33 3kf2 n GLN 73 N 0.04 2.35 0.12 2.79 6.02 -1.26 -4.61 117.38 122.83 3kf2 n GLN 73 Ca 0.04 0.84 -0.19 0.00 -0.01 0.00 0.00 57.00 57.67 3kf2 n GLN 73 Cb 0.51 -2.55 -0.14 0.00 1.02 0.00 0.00 30.24 29.08 3kf2 n GLN 73 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 3kf2 h MET 74 N 4.47 0.39 -4.69 -1.09 2.86 -0.28 -3.47 114.93 113.12 3kf2 h MET 74 Ca -0.46 -0.65 -0.36 0.00 -2.06 0.00 0.00 59.70 56.17 3kf2 h MET 74 Cb 1.25 0.24 -0.27 0.00 0.06 0.00 0.00 31.60 32.88 3kf2 h MET 74 CO 0.77 1.31 -0.77 0.71 1.06 0.00 0.00 176.91 179.99 3kf2 s TYR 75 N -2.66 0.77 -0.10 -0.22 2.02 -0.90 -4.98 117.35 111.27 3kf2 s TYR 75 Ca -0.06 -0.23 -0.04 0.00 -0.37 0.00 0.00 57.07 56.37 3kf2 s TYR 75 Cb 0.06 -0.48 0.05 0.00 -0.40 0.00 0.00 41.96 41.19 3kf2 s TYR 75 CO 0.91 -0.02 0.20 0.99 -1.57 0.00 0.00 175.55 176.06 3kf2 s THR 76 N -0.49 -0.29 -0.36 -0.71 2.01 -1.26 -0.93 115.64 113.60 3kf2 s THR 76 Ca 0.00 0.31 0.01 0.00 0.31 0.00 0.00 61.69 62.33 3kf2 s THR 76 Cb -0.05 -0.34 0.15 0.00 0.01 0.00 0.00 72.50 72.26 3kf2 s THR 76 CO 0.00 0.13 0.28 0.21 -0.69 0.00 0.00 174.62 174.55 3kf2 s ASN 77 N 2.21 2.20 0.38 3.53 3.84 0.34 -5.00 114.94 122.43 3kf2 s ASN 77 Ca 0.01 -2.01 0.06 0.00 0.21 0.00 0.00 52.86 51.13 3kf2 s ASN 77 Cb -0.12 -0.03 0.76 0.00 -0.55 0.00 0.00 41.25 41.32 3kf2 s ASN 77 CO -0.07 -0.28 2.01 0.58 -2.79 0.00 0.00 177.10 176.55 3kf2 h VAL 78 N 5.00 1.09 -0.10 -5.21 2.07 -1.96 -0.69 116.25 116.44 3kf2 h VAL 78 Ca 0.07 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 3kf2 h VAL 78 Cb 1.00 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 3kf2 h VAL 78 CO 0.24 0.13 0.03 0.44 0.02 0.00 0.00 177.57 178.43 3kf2 h ASP 79 N 0.71 0.15 0.41 0.57 3.32 -1.94 -2.67 116.42 116.96 3kf2 h ASP 79 Ca 0.23 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3kf2 h ASP 79 Cb 0.06 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3kf2 h ASP 79 CO -0.06 0.30 -0.02 0.00 -1.72 0.00 0.00 179.24 177.74 3kf2 n GLN 80 N -4.90 0.61 -3.20 3.56 1.13 -1.13 -4.92 117.38 108.53 3kf2 n GLN 80 Ca -0.06 -0.04 -0.17 0.00 -1.94 0.00 0.00 57.00 54.79 3kf2 n GLN 80 Cb 0.13 -1.50 0.05 0.00 0.11 0.00 0.00 30.24 29.03 3kf2 n GLN 80 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 3kf2 n ASP 81 N -1.16 -5.18 -4.16 1.08 2.03 -0.73 -4.92 116.55 103.51 3kf2 n ASP 81 Ca 0.17 -0.35 -0.30 0.00 0.52 0.00 0.00 54.79 54.82 3kf2 n ASP 81 Cb 0.22 -3.83 -0.17 0.00 -0.72 0.00 0.00 41.12 36.61 3kf2 n ASP 81 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3kf2 s LEU 82 N -5.52 1.96 0.15 -2.67 0.20 -0.35 -1.33 118.68 111.14 3kf2 s LEU 82 Ca 0.39 -0.50 0.07 0.00 0.69 0.00 0.00 54.13 54.78 3kf2 s LEU 82 Cb -0.17 -1.26 -0.04 0.00 -0.43 0.00 0.00 46.19 44.29 3kf2 s LEU 82 CO 0.48 0.11 -0.16 0.68 -0.29 0.00 0.00 176.35 177.17 3kf2 s VAL 83 N 0.51 1.63 -0.01 1.68 -7.23 -0.24 -0.51 120.40 116.25 3kf2 s VAL 83 Ca -0.16 -1.88 0.00 0.00 -1.81 0.00 0.00 61.98 58.14 3kf2 s VAL 83 Cb -0.17 -1.76 0.01 0.00 0.56 0.00 0.00 36.38 35.02 3kf2 s VAL 83 CO 0.06 -0.38 -0.00 -0.83 -0.31 0.00 0.00 175.10 173.63 3kf2 s GLY 84 N -2.66 0.08 0.35 2.32 0.00 -0.11 -1.41 107.32 105.89 3kf2 s GLY 84 Ca 0.14 0.04 0.09 0.00 0.00 0.00 0.00 44.72 45.00 3kf2 s GLY 84 CO 0.05 0.17 -0.05 -0.98 0.00 0.00 0.00 173.10 172.29 3kf2 s TRP 85 N 0.30 2.46 0.41 1.90 0.51 0.06 0.50 118.94 125.07 3kf2 s TRP 85 Ca -0.03 -0.49 -0.26 0.00 -2.12 0.00 0.00 56.10 53.20 3kf2 s TRP 85 Cb -0.04 -1.44 -0.09 0.00 -0.81 0.00 0.00 33.47 31.08 3kf2 s TRP 85 CO -0.01 0.54 1.38 -2.14 -0.51 0.00 0.00 176.95 176.21 3kf2 s PRO 86 N -3.65 3.95 0.33 4.98 0.02 -1.26 -0.03 135.00 139.33 3kf2 s PRO 86 Ca 0.33 2.32 -0.29 0.00 0.02 0.00 0.00 61.00 63.38 3kf2 s PRO 86 Cb 0.02 -2.80 -0.11 0.00 0.02 0.00 0.00 34.50 31.63 3kf2 s PRO 86 CO 0.18 -0.57 1.51 0.00 -0.33 0.00 0.00 177.00 177.79 3kf2 s ALA 87 N -1.20 3.64 0.79 -1.55 0.00 -0.95 -4.50 121.76 117.99 3kf2 s ALA 87 Ca 0.56 1.53 -0.12 0.00 0.00 0.00 0.00 51.96 53.94 3kf2 s ALA 87 Cb -0.42 -3.61 0.07 0.00 0.00 0.00 0.00 23.12 19.16 3kf2 s ALA 87 CO 0.54 -0.97 1.14 -1.25 0.00 0.00 0.00 175.76 175.22 3kf2 s PRO 88 N -1.30 2.11 0.33 0.00 0.04 -1.26 -4.97 135.00 129.94 3kf2 s PRO 88 Ca 0.57 0.32 -0.29 0.00 0.04 0.00 0.00 61.00 61.64 3kf2 s PRO 88 Cb -0.46 -1.95 -0.12 0.00 0.04 0.00 0.00 34.50 32.01 3kf2 s PRO 88 CO 0.55 -1.53 1.33 1.04 0.04 0.00 0.00 177.00 178.42 3kf2 n GLN 89 N -3.32 2.17 -0.26 4.56 1.13 -1.26 -3.16 117.38 117.24 3kf2 n GLN 89 Ca 0.07 0.76 0.00 0.00 -1.94 0.00 0.00 57.00 55.89 3kf2 n GLN 89 Cb 0.59 -2.37 0.00 0.00 0.11 0.00 0.00 30.24 28.57 3kf2 n GLN 89 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3kf2 n GLY 90 N 1.01 0.73 3.84 1.08 0.00 -1.26 -5.06 105.19 105.53 3kf2 n GLY 90 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 3kf2 n GLY 90 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kf2 s SER 91 N -2.59 4.63 -0.19 1.61 1.04 -1.19 -1.95 113.70 115.05 3kf2 s SER 91 Ca 0.00 -1.11 -0.17 0.00 0.48 0.00 0.00 55.95 55.15 3kf2 s SER 91 Cb 0.00 -0.09 0.05 0.00 0.10 0.00 0.00 66.02 66.08 3kf2 s SER 91 CO 0.00 -0.81 0.50 -0.60 0.98 0.00 0.00 173.24 173.31 3kf2 s ARG 92 N -4.10 0.59 0.17 4.02 3.52 -0.73 -4.69 118.95 117.73 3kf2 s ARG 92 Ca 0.38 0.69 -0.25 0.00 -0.13 0.00 0.00 55.73 56.42 3kf2 s ARG 92 Cb -0.00 0.29 -0.08 0.00 -1.56 0.00 0.00 34.95 33.59 3kf2 s ARG 92 CO 0.22 -0.07 0.76 -1.12 -0.81 0.00 0.00 175.30 174.28 3kf2 s SER 93 N 0.26 7.36 0.22 -2.12 0.01 -1.26 -4.09 113.70 114.08 3kf2 s SER 93 Ca -0.00 1.62 -0.24 0.00 1.31 0.00 0.00 55.95 58.64 3kf2 s SER 93 Cb -0.03 -2.49 -0.09 0.00 0.21 0.00 0.00 66.02 63.62 3kf2 s SER 93 CO 0.01 0.20 0.81 -0.76 0.41 0.00 0.00 173.24 173.91 3kf2 s LEU 94 N -1.19 4.47 0.10 2.44 1.43 0.67 -4.94 118.68 121.66 3kf2 s LEU 94 Ca 0.36 1.64 -0.17 0.00 -1.03 0.00 0.00 54.13 54.93 3kf2 s LEU 94 Cb -0.23 -3.57 -0.07 0.00 0.03 0.00 0.00 46.19 42.36 3kf2 s LEU 94 CO 0.26 0.09 0.55 0.42 0.23 0.00 0.00 176.35 177.90 3kf2 s THR 95 N -1.37 4.81 0.56 5.49 -4.23 -1.26 -3.98 115.64 115.66 3kf2 s THR 95 Ca 0.41 1.03 -0.20 0.00 -1.18 0.00 0.00 61.69 61.76 3kf2 s THR 95 Cb -0.20 -3.81 -0.05 0.00 1.34 0.00 0.00 72.50 69.77 3kf2 s THR 95 CO 0.25 0.42 1.18 -2.84 -0.54 0.00 0.00 174.62 173.08 3kf2 s PRO 96 N -1.49 3.21 0.27 3.99 0.02 -1.26 -0.88 135.00 138.87 3kf2 s PRO 96 Ca 0.33 1.75 -0.29 0.00 0.02 0.00 0.00 61.00 62.80 3kf2 s PRO 96 Cb -0.17 -2.02 -0.10 0.00 0.02 0.00 0.00 34.50 32.23 3kf2 s PRO 96 CO 0.19 -0.99 1.33 0.00 -0.33 0.00 0.00 177.00 177.19 3kf2 n THR 98 N 1.71 0.00 -1.23 0.00 -2.24 -1.26 -4.96 114.28 106.29 3kf2 n THR 98 Ca 0.03 -0.15 -0.30 0.00 -2.27 0.00 0.00 64.05 61.36 3kf2 n THR 98 Cb 0.42 1.19 0.23 0.00 -2.10 0.00 0.00 70.33 70.07 3kf2 n THR 98 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kf2 n GLY 100 N -1.46 5.29 3.75 0.00 0.00 -1.26 -5.07 105.19 106.45 3kf2 n GLY 100 Ca 0.14 -1.48 -0.33 0.00 0.00 0.00 0.00 46.02 44.35 3kf2 n GLY 100 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kf2 s SER 101 N -3.21 4.64 0.00 1.61 0.15 -1.26 -4.95 113.70 110.68 3kf2 s SER 101 Ca 0.40 2.12 0.01 0.00 0.70 0.00 0.00 55.95 59.18 3kf2 s SER 101 Cb 0.38 -2.56 0.04 0.00 -1.71 0.00 0.00 66.02 62.17 3kf2 s SER 101 CO -0.05 -1.95 0.98 -1.54 1.20 0.00 0.00 173.24 171.89 3kf2 n SER 102 N -2.69 2.02 -4.53 5.45 3.41 -1.26 -4.89 113.62 111.13 3kf2 n SER 102 Ca 0.11 -1.90 -0.43 0.00 -0.26 0.00 0.00 58.87 56.39 3kf2 n SER 102 Cb 0.51 -0.03 -0.06 0.00 -0.26 0.00 0.00 64.21 64.38 3kf2 n SER 102 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3kf2 s ASP 103 N -0.91 6.38 0.32 4.04 -0.00 -1.26 0.34 116.67 125.58 3kf2 s ASP 103 Ca 0.03 -0.21 0.10 0.00 -0.00 0.00 0.00 52.55 52.46 3kf2 s ASP 103 Cb 0.02 -2.37 -0.05 0.00 -0.00 0.00 0.00 42.92 40.52 3kf2 s ASP 103 CO 0.02 -0.89 -0.03 -0.76 -0.00 0.00 0.00 175.17 173.51 3kf2 s LEU 104 N 3.17 2.94 -0.06 1.23 1.43 0.02 -3.66 118.68 123.75 3kf2 s LEU 104 Ca 0.27 -0.95 -0.01 0.00 -1.03 0.00 0.00 54.13 52.42 3kf2 s LEU 104 Cb -0.13 -1.36 0.03 0.00 0.03 0.00 0.00 46.19 44.76 3kf2 s LEU 104 CO 0.21 -0.15 0.01 -0.31 0.23 0.00 0.00 176.35 176.34 3kf2 s TYR 105 N -2.49 0.49 -0.11 0.29 2.02 0.16 -1.34 117.35 116.38 3kf2 s TYR 105 Ca 0.33 -0.05 -0.16 0.00 -0.37 0.00 0.00 57.07 56.83 3kf2 s TYR 105 Cb -0.02 -0.66 -0.05 0.00 -0.40 0.00 0.00 41.96 40.83 3kf2 s TYR 105 CO 0.19 -0.26 0.39 -1.17 -1.57 0.00 0.00 175.55 173.12 3kf2 s LEU 106 N 1.80 4.31 -0.19 -1.29 2.96 0.02 -0.27 118.68 126.02 3kf2 s LEU 106 Ca 0.02 0.73 -0.06 0.00 -0.22 0.00 0.00 54.13 54.60 3kf2 s LEU 106 Cb -0.13 -2.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.99 3kf2 s LEU 106 CO -0.04 0.12 0.02 -0.69 -1.32 0.00 0.00 176.35 174.44 3kf2 s VAL 107 N 0.13 4.24 0.58 1.68 1.01 -0.96 -0.87 120.40 126.20 3kf2 s VAL 107 Ca 0.22 -0.22 0.05 0.00 0.00 0.00 0.00 61.98 62.03 3kf2 s VAL 107 Cb -0.15 -2.91 0.07 0.00 0.00 0.00 0.00 36.38 33.39 3kf2 s VAL 107 CO 0.09 0.44 0.80 0.42 0.00 0.00 0.00 175.10 176.84 3kf2 s THR 108 N 0.77 2.41 -0.00 3.92 -4.23 -0.48 -4.39 115.64 113.62 3kf2 s THR 108 Ca 0.01 -0.84 0.32 0.00 -1.18 0.00 0.00 61.69 60.00 3kf2 s THR 108 Cb -0.14 -2.57 0.35 0.00 1.34 0.00 0.00 72.50 71.48 3kf2 s THR 108 CO 0.02 0.00 1.94 0.08 -0.54 0.00 0.00 174.62 176.12 3kf2 h ARG 109 N 0.07 0.00 -0.55 3.99 0.11 -1.89 -1.06 114.38 115.05 3kf2 h ARG 109 Ca -0.36 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.72 3kf2 h ARG 109 Cb 1.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.36 3kf2 h ARG 109 CO 0.43 0.00 0.00 0.72 0.10 0.00 0.00 179.97 181.22 3kf2 n HIS 110 N -2.79 0.84 -1.93 4.08 8.25 -1.26 -4.92 115.22 117.49 3kf2 n HIS 110 Ca 0.00 -0.36 -0.19 0.00 -0.26 0.00 0.00 57.72 56.92 3kf2 n HIS 110 Cb 0.23 -0.11 -0.05 0.00 1.12 0.00 0.00 29.99 31.19 3kf2 n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kf2 n ALA 111 N 0.74 -0.41 -1.88 -1.41 0.00 -0.40 -5.00 120.51 112.15 3kf2 n ALA 111 Ca 0.16 0.23 -0.32 0.00 0.00 0.00 0.00 53.44 53.51 3kf2 n ALA 111 Cb 0.54 -1.95 -0.05 0.00 0.00 0.00 0.00 19.45 17.99 3kf2 n ALA 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kf2 s ASP 112 N -2.50 6.71 -0.10 0.00 1.01 -1.26 -4.82 116.67 115.71 3kf2 s ASP 112 Ca 0.00 1.55 0.03 0.00 0.71 0.00 0.00 52.55 54.84 3kf2 s ASP 112 Cb 0.00 -2.49 0.01 0.00 1.01 0.00 0.00 42.92 41.44 3kf2 s ASP 112 CO 0.00 -0.49 -0.18 0.54 0.21 0.00 0.00 175.17 175.25 3kf2 s VAL 113 N -2.45 1.68 -0.14 -1.27 0.11 -1.26 -1.39 120.40 115.68 3kf2 s VAL 113 Ca 0.59 -0.78 0.01 0.00 -2.93 0.00 0.00 61.98 58.87 3kf2 s VAL 113 Cb -0.10 -1.49 0.02 0.00 -1.53 0.00 0.00 36.38 33.28 3kf2 s VAL 113 CO 0.26 0.48 -0.16 0.27 -3.33 0.00 0.00 175.10 172.61 3kf2 s ILE 114 N 0.66 1.70 0.11 7.04 -4.36 -0.05 -4.94 121.20 121.36 3kf2 s ILE 114 Ca -0.13 -0.73 -0.31 0.00 -0.26 0.00 0.00 60.65 59.22 3kf2 s ILE 114 Cb -0.16 -1.56 -0.08 0.00 1.25 0.00 0.00 42.46 41.91 3kf2 s ILE 114 CO 0.03 0.48 1.43 -2.84 0.24 0.00 0.00 174.94 174.28 3kf2 s PRO 115 N 1.27 4.30 0.06 0.37 0.02 -1.26 -0.80 135.00 138.95 3kf2 s PRO 115 Ca 0.01 2.12 0.06 0.00 0.02 0.00 0.00 61.00 63.21 3kf2 s PRO 115 Cb -0.14 -3.28 -0.03 0.00 0.02 0.00 0.00 34.50 31.08 3kf2 s PRO 115 CO -0.08 -0.49 -0.17 0.14 -0.33 0.00 0.00 177.00 176.08 3kf2 s VAL 116 N 1.28 1.32 -0.17 3.83 -7.23 -0.45 -1.96 120.40 117.03 3kf2 s VAL 116 Ca 0.66 -1.20 -0.11 0.00 -1.81 0.00 0.00 61.98 59.51 3kf2 s VAL 116 Cb -0.38 -1.20 -0.05 0.00 0.56 0.00 0.00 36.38 35.31 3kf2 s VAL 116 CO 0.30 -0.02 0.19 -0.60 -0.31 0.00 0.00 175.10 174.66 3kf2 s ARG 117 N -1.42 4.07 0.10 4.82 3.00 0.51 -0.80 118.95 129.23 3kf2 s ARG 117 Ca 0.03 -0.08 -0.31 0.00 -1.00 0.00 0.00 55.73 54.37 3kf2 s ARG 117 Cb -0.09 -3.37 -0.07 0.00 0.00 0.00 0.00 34.95 31.42 3kf2 s ARG 117 CO 0.02 0.38 1.29 0.50 0.00 0.00 0.00 175.30 177.49 3kf2 s ARG 118 N 0.09 4.38 -0.13 5.12 3.52 0.15 -0.77 118.95 131.32 3kf2 s ARG 118 Ca 0.12 1.92 0.01 0.00 -0.13 0.00 0.00 55.73 57.66 3kf2 s ARG 118 Cb -0.12 -3.29 -0.09 0.00 -1.56 0.00 0.00 34.95 29.89 3kf2 s ARG 118 CO 0.01 -0.33 -0.12 0.54 -0.81 0.00 0.00 175.30 174.60 3kf2 n ARG 119 N 3.80 0.33 -0.81 5.12 5.12 -0.04 -4.91 116.66 125.28 3kf2 n ARG 119 Ca 0.10 0.08 0.00 0.00 -1.93 0.00 0.00 57.85 56.09 3kf2 n ARG 119 Cb 0.44 -1.27 0.00 0.00 -1.16 0.00 0.00 32.46 30.48 3kf2 n ARG 119 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3kf2 n GLY 120 N 2.86 4.23 0.11 -0.13 0.00 -0.97 -4.99 105.19 106.30 3kf2 n GLY 120 Ca -0.24 -1.39 0.13 0.00 0.00 0.00 0.00 46.02 44.52 3kf2 n GLY 120 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kf2 n ASP 121 N -1.17 0.81 -0.22 1.61 3.85 -1.26 -3.46 116.55 116.72 3kf2 n ASP 121 Ca 0.00 0.59 0.02 0.00 -0.71 0.00 0.00 54.79 54.69 3kf2 n ASP 121 Cb 0.00 -0.80 0.04 0.00 -1.35 0.00 0.00 41.12 39.00 3kf2 n ASP 121 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 3kf2 n SER 122 N -2.28 1.77 -3.88 -1.12 7.64 -1.26 -4.41 113.62 110.08 3kf2 n SER 122 Ca 0.05 -1.50 -0.12 0.00 1.01 0.00 0.00 58.87 58.32 3kf2 n SER 122 Cb 0.41 -0.04 -0.13 0.00 -1.01 0.00 0.00 64.21 63.44 3kf2 n SER 122 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 3kf2 s ARG 123 N -0.62 0.08 0.02 1.43 6.06 -1.22 -0.91 118.95 123.79 3kf2 s ARG 123 Ca 0.07 -0.06 -0.12 0.00 -2.50 0.00 0.00 55.73 53.12 3kf2 s ARG 123 Cb 0.04 0.03 0.02 0.00 0.06 0.00 0.00 34.95 35.10 3kf2 s ARG 123 CO 0.06 -0.01 0.26 0.20 -2.50 0.00 0.00 175.30 173.31 3kf2 s GLY 124 N -0.22 -0.08 -0.10 8.12 0.00 -0.93 -0.86 107.32 113.25 3kf2 s GLY 124 Ca -0.03 0.04 -0.02 0.00 0.00 0.00 0.00 44.72 44.71 3kf2 s GLY 124 CO -0.00 -0.16 -0.01 -1.35 0.00 0.00 0.00 173.10 171.58 3kf2 s SER 125 N -1.72 5.09 0.18 1.64 1.04 0.05 -0.65 113.70 119.33 3kf2 s SER 125 Ca -0.09 0.07 -0.31 0.00 0.48 0.00 0.00 55.95 56.10 3kf2 s SER 125 Cb -0.03 -1.50 -0.09 0.00 0.10 0.00 0.00 66.02 64.50 3kf2 s SER 125 CO -0.00 0.33 1.47 -0.76 0.98 0.00 0.00 173.24 175.26 3kf2 s LEU 126 N -0.61 4.38 0.66 2.42 1.43 -0.56 -0.36 118.68 126.04 3kf2 s LEU 126 Ca 0.10 2.55 0.39 0.00 -1.03 0.00 0.00 54.13 56.14 3kf2 s LEU 126 Cb -0.12 -3.60 2.14 0.00 0.03 0.00 0.00 46.19 44.64 3kf2 s LEU 126 CO 0.02 -0.73 2.22 -0.07 0.23 0.00 0.00 176.35 178.03 3kf2 h LEU 127 N 6.17 0.00 -6.22 1.79 3.38 -1.73 -3.38 115.31 115.32 3kf2 h LEU 127 Ca -0.44 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.41 3kf2 h LEU 127 Cb 1.21 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 41.70 3kf2 h LEU 127 CO 0.85 0.00 -0.49 -0.55 0.09 0.00 0.00 178.44 178.34 3kf2 s SER 128 N -5.01 -0.21 0.63 -0.43 0.15 -1.26 -5.13 113.70 102.43 3kf2 s SER 128 Ca -0.04 -0.25 -0.18 0.00 0.70 0.00 0.00 55.95 56.18 3kf2 s SER 128 Cb 0.12 1.38 -0.02 0.00 -1.71 0.00 0.00 66.02 65.79 3kf2 s SER 128 CO 0.38 -0.33 1.23 -2.84 1.20 0.00 0.00 173.24 172.88 3kf2 s PRO 129 N 2.60 2.76 0.13 5.44 0.02 -1.26 -5.02 135.00 139.66 3kf2 s PRO 129 Ca 0.10 1.87 0.04 0.00 0.02 0.00 0.00 61.00 63.03 3kf2 s PRO 129 Cb -0.12 -1.90 -0.04 0.00 0.02 0.00 0.00 34.50 32.47 3kf2 s PRO 129 CO -0.28 -1.39 -0.11 1.03 -0.33 0.00 0.00 177.00 175.92 3kf2 s ARG 130 N -3.43 0.98 0.59 5.54 1.81 -0.84 -4.99 118.95 118.61 3kf2 s ARG 130 Ca 0.78 -1.31 -0.18 0.00 -1.72 0.00 0.00 55.73 53.30 3kf2 s ARG 130 Cb -0.32 -0.65 -0.07 0.00 -0.45 0.00 0.00 34.95 33.46 3kf2 s ARG 130 CO 0.36 0.10 0.64 -2.30 -0.68 0.00 0.00 175.30 173.41 3kf2 n PRO 131 N 0.19 0.59 -0.31 3.54 -0.02 -1.26 -1.08 135.00 136.65 3kf2 n PRO 131 Ca -0.13 0.23 -0.02 0.00 -2.02 0.00 0.00 63.50 61.56 3kf2 n PRO 131 Cb 0.59 -1.83 0.10 0.00 -0.02 0.00 0.00 33.50 32.35 3kf2 n PRO 131 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3kf2 h ILE 132 N 0.25 1.14 -0.06 4.25 6.09 -1.37 -2.55 117.51 125.26 3kf2 h ILE 132 Ca -0.46 -0.36 0.02 0.00 -1.37 0.00 0.00 64.86 62.68 3kf2 h ILE 132 Cb 1.39 -0.01 -0.00 0.00 0.47 0.00 0.00 36.82 38.67 3kf2 h ILE 132 CO 0.48 0.19 0.08 0.77 -3.07 0.00 0.00 178.15 176.60 3kf2 h SER 133 N 1.06 0.00 0.38 2.19 4.64 -1.90 -0.77 113.55 119.14 3kf2 h SER 133 Ca 0.33 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.62 3kf2 h SER 133 Cb -0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.08 3kf2 h SER 133 CO -0.11 0.00 -0.15 0.22 -0.87 0.00 0.00 176.83 175.92 3kf2 h TYR 134 N 0.00 0.00 -0.01 4.77 3.20 -1.81 -3.09 116.97 120.03 3kf2 h TYR 134 Ca 0.03 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3kf2 h TYR 134 Cb 0.18 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.45 3kf2 h TYR 134 CO 0.00 0.15 -0.27 1.28 -1.64 0.00 0.00 178.16 177.68 3kf2 n LEU 135 N -3.73 1.81 -4.72 2.82 4.32 -0.31 -4.91 117.00 112.28 3kf2 n LEU 135 Ca -0.02 -0.81 -0.42 0.00 -0.02 0.00 0.00 56.01 54.74 3kf2 n LEU 135 Cb 0.26 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.03 3kf2 n LEU 135 CO 0.32 0.34 0.99 -0.75 -1.22 0.00 0.00 177.39 177.07 3kf2 s LYS 136 N -1.83 4.37 0.00 3.23 2.47 -1.15 -2.33 119.74 124.50 3kf2 s LYS 136 Ca 0.15 1.98 0.00 0.00 -1.56 0.00 0.00 55.97 56.53 3kf2 s LYS 136 Cb 0.13 -3.27 0.00 0.00 -1.46 0.00 0.00 37.83 33.23 3kf2 s LYS 136 CO 0.37 -0.35 0.00 0.41 0.16 0.00 0.00 175.35 175.94 3kf2 n GLY 137 N 3.24 0.67 0.47 5.54 0.00 -1.26 -4.88 105.19 108.97 3kf2 n GLY 137 Ca 0.10 -0.09 0.07 0.00 0.00 0.00 0.00 46.02 46.10 3kf2 n GLY 137 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kf2 n SER 138 N 0.16 1.89 -4.76 1.61 7.64 -0.98 -3.76 113.62 115.42 3kf2 n SER 138 Ca 0.00 -1.45 -0.41 0.00 1.01 0.00 0.00 58.87 58.02 3kf2 n SER 138 Cb 0.00 0.20 -0.01 0.00 -1.01 0.00 0.00 64.21 63.39 3kf2 n SER 138 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3kf2 s SER 139 N -1.41 6.41 0.00 6.43 0.01 -1.26 -1.38 113.70 122.49 3kf2 s SER 139 Ca 0.15 2.94 0.00 0.00 1.31 0.00 0.00 55.95 60.34 3kf2 s SER 139 Cb 0.12 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.70 3kf2 s SER 139 CO 0.25 -0.87 0.00 0.61 0.41 0.00 0.00 173.24 173.65 3kf2 n GLY 140 N 1.63 2.58 3.72 3.44 0.00 0.34 -1.03 105.19 115.87 3kf2 n GLY 140 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 3kf2 n GLY 140 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kf2 s GLY 141 N -2.60 1.59 0.25 -0.02 0.00 -0.48 -3.67 107.32 102.39 3kf2 s GLY 141 Ca 0.00 -0.24 -0.08 0.00 0.00 0.00 0.00 44.72 44.40 3kf2 s GLY 141 CO 0.00 0.29 0.55 2.56 0.00 0.00 0.00 173.10 176.50 3kf2 s PRO 142 N -5.01 3.73 -0.21 2.90 0.04 -1.26 -0.68 135.00 134.51 3kf2 s PRO 142 Ca 0.64 0.17 -0.08 0.00 0.04 0.00 0.00 61.00 61.77 3kf2 s PRO 142 Cb -0.17 -2.65 -0.04 0.00 0.04 0.00 0.00 34.50 31.68 3kf2 s PRO 142 CO 0.56 0.28 0.08 -0.51 0.04 0.00 0.00 177.00 177.45 3kf2 s LEU 143 N -3.10 3.74 -0.07 -3.56 1.02 0.25 -2.28 118.68 114.69 3kf2 s LEU 143 Ca 0.46 -0.00 -0.01 0.00 0.02 0.00 0.00 54.13 54.60 3kf2 s LEU 143 Cb -0.11 -1.97 -0.03 0.00 0.02 0.00 0.00 46.19 44.10 3kf2 s LEU 143 CO 0.25 0.10 -0.01 -0.76 0.02 0.00 0.00 176.35 175.95 3kf2 s LEU 144 N 0.82 3.51 1.08 1.79 1.02 0.63 -0.03 118.68 127.50 3kf2 s LEU 144 Ca 0.04 0.10 -0.18 0.00 0.02 0.00 0.00 54.13 54.11 3kf2 s LEU 144 Cb -0.13 -1.83 0.24 0.00 0.02 0.00 0.00 46.19 44.49 3kf2 s LEU 144 CO 0.02 0.36 1.22 0.00 0.02 0.00 0.00 176.35 177.98 3kf2 h PRO 146 N -2.11 0.00 -0.01 0.00 0.11 -1.91 -1.61 132.00 126.47 3kf2 h PRO 146 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3kf2 h PRO 146 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3kf2 h PRO 146 CO 0.35 0.00 -0.02 0.00 -0.21 0.00 0.00 178.00 178.13 3kf2 n ALA 147 N -2.01 2.64 -0.85 -0.75 0.00 -1.26 -4.91 120.51 113.36 3kf2 n ALA 147 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.06 3kf2 n ALA 147 Cb 0.14 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.32 3kf2 n ALA 147 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kf2 n GLY 148 N 1.14 0.62 3.89 0.00 0.00 -0.60 -5.05 105.19 105.18 3kf2 n GLY 148 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 3kf2 n GLY 148 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kf2 s HIS 149 N -2.24 3.52 -0.16 1.61 3.76 -1.26 -4.80 115.29 115.72 3kf2 s HIS 149 Ca 0.00 0.99 -0.28 0.00 -0.15 0.00 0.00 55.06 55.61 3kf2 s HIS 149 Cb 0.00 -2.42 -0.01 0.00 1.11 0.00 0.00 32.58 31.26 3kf2 s HIS 149 CO 0.00 -0.24 0.97 0.00 -0.85 0.00 0.00 174.74 174.61 3kf2 s ALA 150 N -2.61 3.52 -0.18 -1.40 0.00 -0.05 -1.16 121.76 119.87 3kf2 s ALA 150 Ca 0.50 0.21 0.07 0.00 0.00 0.00 0.00 51.96 52.74 3kf2 s ALA 150 Cb -0.10 -3.41 -0.22 0.00 0.00 0.00 0.00 23.12 19.39 3kf2 s ALA 150 CO 0.39 -0.76 0.10 0.28 0.00 0.00 0.00 175.76 175.78 3kf2 n VAL 151 N 4.84 1.53 -3.81 0.00 0.31 0.95 -0.08 118.33 122.08 3kf2 n VAL 151 Ca 0.08 -0.71 0.01 0.00 -0.01 0.00 0.00 64.34 63.71 3kf2 n VAL 151 Cb 0.48 -1.13 0.00 0.00 -0.91 0.00 0.00 33.84 32.28 3kf2 n VAL 151 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3kf2 s GLY 152 N -5.83 -0.20 -0.16 2.92 0.00 -1.18 -0.93 107.32 101.94 3kf2 s GLY 152 Ca -0.21 0.22 -0.05 0.00 0.00 0.00 0.00 44.72 44.69 3kf2 s GLY 152 CO 0.73 2.46 -0.01 1.08 0.00 0.00 0.00 173.10 177.36 3kf2 s LEU 153 N -3.35 3.39 -0.09 0.66 1.02 -0.48 -0.58 118.68 119.25 3kf2 s LEU 153 Ca 0.21 -0.08 -0.31 0.00 0.02 0.00 0.00 54.13 53.97 3kf2 s LEU 153 Cb 0.01 -1.83 -0.09 0.00 0.02 0.00 0.00 46.19 44.30 3kf2 s LEU 153 CO -0.00 0.17 2.03 0.33 0.02 0.00 0.00 176.35 178.90 3kf2 n PHE 154 N 3.56 2.25 -0.10 0.29 7.35 0.14 -0.78 117.46 130.18 3kf2 n PHE 154 Ca -0.17 -0.16 -0.14 0.00 -0.76 0.00 0.00 57.45 56.21 3kf2 n PHE 154 Cb 0.52 -2.73 -0.06 0.00 0.35 0.00 0.00 39.48 37.57 3kf2 n PHE 154 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 3kf2 n ARG 155 N 7.68 0.52 -3.53 -4.13 0.63 -0.23 -0.51 116.66 117.09 3kf2 n ARG 155 Ca 0.25 0.43 -0.17 0.00 -0.92 0.00 0.00 57.85 57.44 3kf2 n ARG 155 Cb 0.37 -1.62 -0.06 0.00 0.45 0.00 0.00 32.46 31.60 3kf2 n ARG 155 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3kf2 s ALA 156 N -2.63 -1.77 0.27 5.13 0.00 -1.05 -4.82 121.76 116.88 3kf2 s ALA 156 Ca -0.25 1.41 -0.30 0.00 0.00 0.00 0.00 51.96 52.82 3kf2 s ALA 156 Cb 0.06 -0.15 -0.09 0.00 0.00 0.00 0.00 23.12 22.93 3kf2 s ALA 156 CO 0.41 -0.37 1.09 0.00 0.00 0.00 0.00 175.76 176.89 3kf2 s ALA 157 N -0.99 3.40 -0.41 0.00 0.00 -1.26 0.06 121.76 122.55 3kf2 s ALA 157 Ca -0.10 0.87 -0.13 0.00 0.00 0.00 0.00 51.96 52.60 3kf2 s ALA 157 Cb -0.01 -3.32 0.03 0.00 0.00 0.00 0.00 23.12 19.83 3kf2 s ALA 157 CO 0.09 -0.14 0.28 0.08 0.00 0.00 0.00 175.76 176.07 3kf2 s VAL 158 N -1.05 4.96 -0.07 0.00 1.01 -0.26 -4.86 120.40 120.12 3kf2 s VAL 158 Ca 0.45 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.60 3kf2 s VAL 158 Cb -0.31 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 3kf2 s VAL 158 CO 0.40 -0.34 -0.07 0.00 0.00 0.00 0.00 175.10 175.09 3kf2 s THR 160 N -0.71 1.29 -1.35 0.00 2.01 0.14 -4.87 115.64 112.15 3kf2 s THR 160 Ca 0.11 -1.36 -0.05 0.00 0.31 0.00 0.00 61.69 60.69 3kf2 s THR 160 Cb -0.11 -1.78 0.00 0.00 0.01 0.00 0.00 72.50 70.61 3kf2 s THR 160 CO 0.02 -0.39 0.49 0.54 -0.69 0.00 0.00 174.62 174.59 3kf2 n ARG 161 N 4.72 -2.75 -0.94 4.92 1.74 -1.26 -1.48 116.66 121.61 3kf2 n ARG 161 Ca -0.06 0.40 0.00 0.00 -0.77 0.00 0.00 57.85 57.42 3kf2 n ARG 161 Cb 0.43 -4.35 0.00 0.00 -1.02 0.00 0.00 32.46 27.52 3kf2 n ARG 161 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kf2 n GLY 162 N -1.94 0.94 3.35 -0.13 0.00 -1.26 -5.01 105.19 101.13 3kf2 n GLY 162 Ca -0.26 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 3kf2 n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kf2 s VAL 163 N -3.74 3.39 -0.11 1.61 1.01 -0.55 -0.92 120.40 121.08 3kf2 s VAL 163 Ca 0.00 -0.50 -0.25 0.00 0.00 0.00 0.00 61.98 61.22 3kf2 s VAL 163 Cb 0.00 -2.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.84 3kf2 s VAL 163 CO 0.00 0.45 0.80 0.00 0.00 0.00 0.00 175.10 176.35 3kf2 s ALA 164 N 1.13 3.41 0.00 5.51 0.00 -0.24 -0.69 121.76 130.88 3kf2 s ALA 164 Ca 0.02 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.11 3kf2 s ALA 164 Cb -0.15 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.83 3kf2 s ALA 164 CO -0.01 -0.40 0.35 0.36 0.00 0.00 0.00 175.76 176.06 3kf2 n LYS 165 N 4.54 -0.60 -4.05 0.00 2.85 -0.97 -1.99 118.16 117.94 3kf2 n LYS 165 Ca 0.03 -0.36 -0.10 0.00 -1.05 0.00 0.00 58.31 56.82 3kf2 n LYS 165 Cb 0.50 -0.84 -0.06 0.00 -0.65 0.00 0.00 35.03 33.98 3kf2 n LYS 165 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3kf2 s ALA 166 N -0.02 0.17 0.01 0.58 0.00 -1.20 -1.49 121.76 119.81 3kf2 s ALA 166 Ca 0.00 -1.13 -0.00 0.00 0.00 0.00 0.00 51.96 50.83 3kf2 s ALA 166 Cb 0.00 1.15 -0.01 0.00 0.00 0.00 0.00 23.12 24.26 3kf2 s ALA 166 CO 0.00 -0.79 -0.00 0.14 0.00 0.00 0.00 175.76 175.11 3kf2 s VAL 167 N -3.96 0.04 0.12 0.00 -7.23 0.18 -1.10 120.40 108.45 3kf2 s VAL 167 Ca 0.27 -0.33 -0.14 0.00 -1.81 0.00 0.00 61.98 59.97 3kf2 s VAL 167 Cb 0.01 -0.11 -0.07 0.00 0.56 0.00 0.00 36.38 36.77 3kf2 s VAL 167 CO 0.11 -0.18 0.52 -1.81 -0.31 0.00 0.00 175.10 173.43 3kf2 s ASP 168 N -0.53 6.81 0.13 4.85 1.01 0.11 -2.19 116.67 126.86 3kf2 s ASP 168 Ca -0.06 1.04 -0.08 0.00 0.71 0.00 0.00 52.55 54.16 3kf2 s ASP 168 Cb -0.04 -2.27 -0.01 0.00 1.01 0.00 0.00 42.92 41.61 3kf2 s ASP 168 CO -0.00 0.13 0.23 0.72 0.21 0.00 0.00 175.17 176.46 3kf2 s PHE 169 N -1.42 0.35 -0.39 4.23 -0.12 -0.08 -1.06 117.98 119.49 3kf2 s PHE 169 Ca 0.36 -0.74 -0.15 0.00 -0.05 0.00 0.00 56.93 56.35 3kf2 s PHE 169 Cb -0.15 -0.09 0.01 0.00 -0.63 0.00 0.00 43.02 42.15 3kf2 s PHE 169 CO 0.19 -0.64 0.32 0.42 -0.05 0.00 0.00 175.22 175.46 3kf2 s ILE 170 N -3.93 5.22 0.56 -4.49 1.01 0.04 -4.60 121.20 115.00 3kf2 s ILE 170 Ca 0.13 -0.39 -0.20 0.00 0.00 0.00 0.00 60.65 60.19 3kf2 s ILE 170 Cb 0.04 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 3kf2 s ILE 170 CO -0.04 -0.23 1.27 -2.84 0.00 0.00 0.00 174.94 173.09 3kf2 s PRO 171 N 1.83 3.09 0.56 2.79 0.02 -1.26 -1.38 135.00 140.65 3kf2 s PRO 171 Ca 0.08 2.00 0.31 0.00 0.02 0.00 0.00 61.00 63.41 3kf2 s PRO 171 Cb -0.18 -2.10 1.67 0.00 0.02 0.00 0.00 34.50 33.91 3kf2 s PRO 171 CO 0.11 -1.16 2.14 -0.24 -0.33 0.00 0.00 177.00 177.53 3kf2 h VAL 172 N 1.18 0.40 -0.89 3.83 3.04 -1.35 -1.32 116.25 121.14 3kf2 h VAL 172 Ca -0.51 -0.36 0.06 0.00 -1.01 0.00 0.00 66.70 64.88 3kf2 h VAL 172 Cb 1.30 1.25 -0.06 0.00 -2.01 0.00 0.00 31.29 31.77 3kf2 h VAL 172 CO 0.56 0.07 0.58 -0.33 -1.01 0.00 0.00 177.57 177.44 3kf2 h GLU 173 N 0.00 1.01 -0.44 4.17 3.07 -1.89 -0.73 114.58 119.77 3kf2 h GLU 173 Ca -0.00 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.36 58.80 3kf2 h GLU 173 Cb 0.25 -0.23 -0.02 0.00 -0.84 0.00 0.00 28.75 27.91 3kf2 h GLU 173 CO 0.01 0.67 0.27 -0.91 -1.40 0.00 0.00 179.01 177.65 3kf2 h ASN 174 N 1.04 0.53 -0.66 1.42 4.21 -1.59 0.12 115.58 120.65 3kf2 h ASN 174 Ca 0.37 -0.05 0.04 0.00 1.21 0.00 0.00 56.30 57.87 3kf2 h ASN 174 Cb 0.15 -0.13 -0.05 0.00 -1.12 0.00 0.00 38.32 37.17 3kf2 h ASN 174 CO -0.13 0.42 0.40 -0.07 -1.29 0.00 0.00 177.43 176.76 3kf2 h LEU 175 N 0.59 0.63 -0.59 1.61 4.07 -1.44 0.17 115.31 120.35 3kf2 h LEU 175 Ca 0.16 0.01 -0.07 0.00 0.08 0.00 0.00 57.88 58.06 3kf2 h LEU 175 Cb -0.01 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 41.58 3kf2 h LEU 175 CO -0.03 0.43 0.09 -0.33 -1.08 0.00 0.00 178.44 177.52 3kf2 h GLU 176 N 0.76 0.99 0.01 1.13 4.39 -0.76 -2.37 114.58 118.73 3kf2 h GLU 176 Ca 0.27 -0.27 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 3kf2 h GLU 176 Cb 0.07 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 3kf2 h GLU 176 CO -0.13 0.94 -0.00 1.15 -1.16 0.00 0.00 179.01 179.81 3kf2 h THR 177 N 0.89 1.19 -0.97 1.13 2.02 -0.37 -2.70 112.91 114.11 3kf2 h THR 177 Ca 0.18 -0.60 0.17 0.00 0.77 0.00 0.00 66.41 66.93 3kf2 h THR 177 Cb 0.43 1.60 -0.10 0.00 -1.74 0.00 0.00 68.15 68.34 3kf2 h THR 177 CO 0.01 0.15 0.58 0.74 0.37 0.00 0.00 175.52 177.38 3kf2 h THR 178 N -0.27 0.75 0.72 3.16 2.02 -0.49 0.24 112.91 119.04 3kf2 h THR 178 Ca -0.00 -0.27 -0.04 0.00 0.77 0.00 0.00 66.41 66.87 3kf2 h THR 178 Cb 0.26 -0.10 0.01 0.00 -1.74 0.00 0.00 68.15 66.58 3kf2 h THR 178 CO 0.00 0.14 -0.35 0.24 0.37 0.00 0.00 175.52 175.93 3kf2 h MET 179 N 0.78 -0.93 -1.00 6.66 2.07 -1.41 -3.20 114.93 117.90 3kf2 h MET 179 Ca 0.54 0.06 0.19 0.00 -2.07 0.00 0.00 59.70 58.42 3kf2 h MET 179 Cb 0.76 0.21 -0.11 0.00 -1.87 0.00 0.00 31.60 30.60 3kf2 h MET 179 CO -0.35 -0.62 0.61 -0.09 1.07 0.00 0.00 176.91 177.53 3kf2 h ARG 180 N -1.26 0.75 -0.01 1.72 1.12 -1.12 -3.52 114.38 112.06 3kf2 h ARG 180 Ca -0.10 -0.05 0.00 0.00 -1.11 0.00 0.00 59.98 58.73 3kf2 h ARG 180 Cb 0.74 -0.17 0.00 0.00 -0.01 0.00 0.00 29.97 30.53 3kf2 h ARG 180 CO 0.16 0.50 0.00 -1.13 -3.11 0.00 0.00 179.97 176.39