#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kaf n PRO 8 N 0.00 1.22 -1.55 3.23 -0.02 -1.26 -4.73 135.00 131.88 3kaf n PRO 8 Ca 0.00 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.13 3kaf n PRO 8 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.44 3kaf n PRO 8 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3kaf n PRO 9 N 0.00 0.95 -1.63 0.52 -0.02 -1.26 -3.12 135.00 130.45 3kaf n PRO 9 Ca 0.00 -0.05 -0.05 0.00 -2.02 0.00 0.00 63.50 61.38 3kaf n PRO 9 Cb 0.00 -3.35 -0.01 0.00 -0.02 0.00 0.00 33.50 30.12 3kaf n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kaf n GLY 10 N 6.08 0.47 3.91 -1.23 0.00 -1.26 -4.88 105.19 108.27 3kaf n GLY 10 Ca 0.39 -0.75 -0.28 0.00 0.00 0.00 0.00 46.02 45.38 3kaf n GLY 10 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3kaf s TRP 11 N -2.23 3.48 -0.21 1.61 0.52 -1.18 -2.41 118.94 118.52 3kaf s TRP 11 Ca 0.00 0.52 -0.20 0.00 0.02 0.00 0.00 56.10 56.44 3kaf s TRP 11 Cb 0.00 -2.00 0.06 0.00 -1.15 0.00 0.00 33.47 30.37 3kaf s TRP 11 CO 0.00 0.28 0.57 -2.00 0.02 0.00 0.00 176.95 175.82 3kaf s GLU 12 N -3.37 0.67 0.26 4.98 2.12 -0.76 -4.87 118.70 117.73 3kaf s GLU 12 Ca 0.42 0.77 -0.30 0.00 0.36 0.00 0.00 54.97 56.22 3kaf s GLU 12 Cb -0.11 0.33 -0.10 0.00 0.26 0.00 0.00 34.13 34.51 3kaf s GLU 12 CO 0.29 -0.09 1.44 0.15 -0.54 0.00 0.00 175.26 176.51 3kaf s LYS 13 N 0.25 4.26 0.13 4.30 1.02 -1.26 -1.69 119.74 126.75 3kaf s LYS 13 Ca -0.00 2.32 -0.02 0.00 0.02 0.00 0.00 55.97 58.28 3kaf s LYS 13 Cb -0.04 -3.10 -0.03 0.00 -0.52 0.00 0.00 37.83 34.14 3kaf s LYS 13 CO 0.01 -0.42 0.09 0.00 -0.92 0.00 0.00 175.35 174.12 3kaf s ALA 14 N -0.13 0.71 -0.01 5.17 0.00 -0.99 -4.93 121.76 121.58 3kaf s ALA 14 Ca 0.58 -1.37 0.07 0.00 0.00 0.00 0.00 51.96 51.25 3kaf s ALA 14 Cb -0.42 0.86 -0.02 0.00 0.00 0.00 0.00 23.12 23.53 3kaf s ALA 14 CO 0.45 -0.51 -0.23 1.41 0.00 0.00 0.00 175.76 176.88 3kaf s MET 15 N -4.03 1.84 0.12 0.00 1.75 -1.26 -1.66 119.30 116.06 3kaf s MET 15 Ca 0.23 -0.85 -0.30 0.00 -1.25 0.00 0.00 55.69 53.51 3kaf s MET 15 Cb 0.07 -1.80 -0.06 0.00 2.84 0.00 0.00 34.83 35.87 3kaf s MET 15 CO 0.01 0.49 1.02 0.45 -0.65 0.00 0.00 175.02 176.35 3kaf s SER 16 N -0.63 7.39 0.05 1.11 0.15 -0.64 -4.93 113.70 116.20 3kaf s SER 16 Ca 0.09 1.89 -0.20 0.00 0.70 0.00 0.00 55.95 58.43 3kaf s SER 16 Cb -0.09 -2.59 -0.13 0.00 -1.71 0.00 0.00 66.02 61.50 3kaf s SER 16 CO -0.01 -0.16 1.40 0.08 1.20 0.00 0.00 173.24 175.75 3kaf h ARG 17 N 5.62 0.39 -0.16 5.44 0.11 -1.99 -2.23 114.38 121.56 3kaf h ARG 17 Ca -0.43 -0.18 -0.22 0.00 0.10 0.00 0.00 59.98 59.25 3kaf h ARG 17 Cb 1.21 -0.01 0.01 0.00 1.11 0.00 0.00 29.97 32.29 3kaf h ARG 17 CO 0.73 0.71 -0.75 1.03 0.10 0.00 0.00 179.97 181.79 3kaf h SER 18 N 0.06 0.90 0.00 0.08 0.87 -2.00 -3.42 113.55 110.04 3kaf h SER 18 Ca 0.04 -0.58 -0.35 0.00 -1.23 0.00 0.00 61.79 59.67 3kaf h SER 18 Cb 0.61 -0.27 -0.06 0.00 -0.44 0.00 0.00 62.40 62.24 3kaf h SER 18 CO 0.03 1.37 -2.30 -0.24 -0.53 0.00 0.00 176.83 175.16 3kaf n SER 19 N -3.93 2.14 0.00 6.23 2.88 -1.24 -5.01 113.62 114.69 3kaf n SER 19 Ca -0.07 -0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 3kaf n SER 19 Cb 0.73 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 3kaf n SER 19 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3kaf n GLY 20 N 2.25 0.50 3.84 0.46 0.00 -0.84 -4.99 105.19 106.40 3kaf n GLY 20 Ca -0.41 -0.51 -0.37 0.00 0.00 0.00 0.00 46.02 44.73 3kaf n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kaf s ARG 21 N -0.98 3.36 -0.09 1.61 0.52 -1.26 -4.78 118.95 117.34 3kaf s ARG 21 Ca 0.00 -0.19 -0.29 0.00 -0.52 0.00 0.00 55.73 54.73 3kaf s ARG 21 Cb 0.00 -3.12 -0.05 0.00 0.52 0.00 0.00 34.95 32.30 3kaf s ARG 21 CO 0.00 0.75 1.69 0.08 0.02 0.00 0.00 175.30 177.84 3kaf s VAL 22 N -0.97 3.55 0.31 3.52 1.01 -1.26 -1.63 120.40 124.93 3kaf s VAL 22 Ca 0.14 0.66 0.03 0.00 0.00 0.00 0.00 61.98 62.81 3kaf s VAL 22 Cb -0.12 -3.46 0.03 0.00 0.00 0.00 0.00 36.38 32.83 3kaf s VAL 22 CO 0.04 -0.10 0.23 0.00 0.00 0.00 0.00 175.10 175.26 3kaf n TYR 23 N 7.61 -1.02 -4.62 5.22 0.18 -0.66 -4.90 117.16 118.96 3kaf n TYR 23 Ca 0.18 -1.29 -0.25 0.00 1.88 0.00 0.00 57.90 58.42 3kaf n TYR 23 Cb 0.43 -0.25 -0.14 0.00 -0.38 0.00 0.00 39.34 39.00 3kaf n TYR 23 CO 0.00 0.00 0.00 0.71 -2.08 0.00 0.00 176.86 175.49 3kaf s TYR 24 N -1.50 1.75 -0.02 -3.48 1.51 -0.27 -2.33 117.35 113.00 3kaf s TYR 24 Ca 0.18 -0.37 0.03 0.00 -1.01 0.00 0.00 57.07 55.90 3kaf s TYR 24 Cb -0.01 -1.04 -0.00 0.00 -0.11 0.00 0.00 41.96 40.79 3kaf s TYR 24 CO 0.11 0.08 -0.11 0.12 -1.11 0.00 0.00 175.55 174.65 3kaf s PHE 25 N -0.79 1.01 -0.28 2.71 5.36 -0.68 -2.43 117.98 122.88 3kaf s PHE 25 Ca 0.07 -0.22 -0.04 0.00 -0.96 0.00 0.00 56.93 55.78 3kaf s PHE 25 Cb -0.09 -0.68 0.03 0.00 -0.34 0.00 0.00 43.02 41.94 3kaf s PHE 25 CO 0.02 -0.05 0.00 1.21 -1.46 0.00 0.00 175.22 174.94 3kaf s ASN 26 N -0.09 4.72 0.49 6.13 3.84 0.95 -1.84 114.94 129.15 3kaf s ASN 26 Ca 0.01 -0.91 0.28 0.00 0.21 0.00 0.00 52.86 52.46 3kaf s ASN 26 Cb -0.06 -1.75 1.09 0.00 -0.55 0.00 0.00 41.25 39.97 3kaf s ASN 26 CO -0.00 -0.18 1.89 1.12 -2.79 0.00 0.00 177.10 177.13 3kaf h HIS 27 N 8.09 0.00 0.14 0.43 2.07 -1.78 0.24 115.15 124.34 3kaf h HIS 27 Ca -0.30 0.00 -0.20 0.00 -2.85 0.00 0.00 60.37 57.02 3kaf h HIS 27 Cb 1.10 0.00 0.02 0.00 2.57 0.00 0.00 27.41 31.11 3kaf h HIS 27 CO 0.60 0.12 -0.87 0.82 -3.07 0.00 0.00 177.93 175.53 3kaf h ILE 28 N 0.00 1.48 -0.01 6.12 2.04 -1.90 -3.36 117.51 121.89 3kaf h ILE 28 Ca -0.00 -2.52 0.00 0.00 1.00 0.00 0.00 64.86 63.34 3kaf h ILE 28 Cb 0.65 3.14 0.00 0.00 -0.74 0.00 0.00 36.82 39.88 3kaf h ILE 28 CO 0.02 0.72 -0.62 0.35 0.00 0.00 0.00 178.15 178.61 3kaf n THR 29 N -4.09 0.00 -1.38 -0.27 -2.24 -1.20 -4.36 114.28 100.74 3kaf n THR 29 Ca -0.14 -0.17 -0.13 0.00 -2.27 0.00 0.00 64.05 61.34 3kaf n THR 29 Cb 0.84 1.10 -0.06 0.00 -2.10 0.00 0.00 70.33 70.12 3kaf n THR 29 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3kaf n ASN 30 N -0.54 -5.54 -4.86 3.42 5.03 0.84 -1.47 115.26 112.15 3kaf n ASN 30 Ca 0.08 0.33 -0.31 0.00 0.87 0.00 0.00 54.58 55.54 3kaf n ASN 30 Cb 0.42 -4.29 -0.03 0.00 -1.02 0.00 0.00 39.78 34.86 3kaf n ASN 30 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3kaf s ALA 31 N -2.11 3.15 -0.13 5.41 0.00 -1.22 -3.66 121.76 123.19 3kaf s ALA 31 Ca 0.00 0.04 -0.11 0.00 0.00 0.00 0.00 51.96 51.88 3kaf s ALA 31 Cb 0.00 -2.99 0.04 0.00 0.00 0.00 0.00 23.12 20.17 3kaf s ALA 31 CO 0.00 -0.23 0.35 -1.54 0.00 0.00 0.00 175.76 174.34 3kaf s SER 32 N -3.24 -0.38 0.17 0.00 1.04 -1.26 -0.03 113.70 110.00 3kaf s SER 32 Ca 0.56 0.72 -0.03 0.00 0.48 0.00 0.00 55.95 57.68 3kaf s SER 32 Cb -0.10 0.70 -0.03 0.00 0.10 0.00 0.00 66.02 66.68 3kaf s SER 32 CO 0.34 -0.13 0.14 0.00 0.98 0.00 0.00 173.24 174.57 3kaf s GLN 33 N 0.44 1.10 -0.04 4.02 -2.07 -1.02 -5.02 119.66 117.08 3kaf s GLN 33 Ca -0.02 -1.46 -0.04 0.00 -1.82 0.00 0.00 55.36 52.02 3kaf s GLN 33 Cb -0.04 0.29 -0.27 0.00 -1.09 0.00 0.00 33.01 31.89 3kaf s GLN 33 CO -0.02 -0.36 0.70 -1.49 -1.32 0.00 0.00 175.29 172.80 3kaf h TRP 34 N 2.69 0.46 -3.75 9.60 4.06 -1.91 -0.70 115.95 126.40 3kaf h TRP 34 Ca -0.34 -0.34 -0.49 0.00 2.06 0.00 0.00 58.89 59.78 3kaf h TRP 34 Cb 1.23 -0.02 -0.02 0.00 -1.00 0.00 0.00 29.16 29.34 3kaf h TRP 34 CO 0.39 1.48 0.25 -1.21 -3.56 0.00 0.00 178.44 175.80 3kaf s GLU 35 N -2.60 4.46 -0.11 0.49 8.01 -1.26 -4.50 118.70 123.19 3kaf s GLU 35 Ca -0.13 1.15 -0.35 0.00 0.01 0.00 0.00 54.97 55.66 3kaf s GLU 35 Cb 0.07 -2.85 -0.12 0.00 -4.31 0.00 0.00 34.13 26.91 3kaf s GLU 35 CO 0.83 0.34 1.88 -2.13 0.01 0.00 0.00 175.26 176.19 3kaf n ARG 36 N 0.67 2.07 -1.61 1.61 0.63 -1.26 -4.73 116.66 114.05 3kaf n ARG 36 Ca -0.00 0.76 -0.46 0.00 -0.92 0.00 0.00 57.85 57.22 3kaf n ARG 36 Cb 0.50 -2.59 -0.03 0.00 0.45 0.00 0.00 32.46 30.79 3kaf n ARG 36 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 3kaf n PRO 37 N 6.58 1.47 0.00 -0.14 -0.04 -1.26 -5.17 135.00 136.45 3kaf n PRO 37 Ca 0.23 0.52 0.00 0.00 -0.04 0.00 0.00 63.50 64.22 3kaf n PRO 37 Cb 0.28 -2.02 0.00 0.00 -0.04 0.00 0.00 33.50 31.72 3kaf n PRO 37 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3kaf n SER 38 N 1.72 0.00 -4.40 3.54 3.41 -1.26 -4.83 113.62 111.80 3kaf n SER 38 Ca 0.12 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.42 3kaf n SER 38 Cb 0.29 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.10 3kaf n SER 38 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3kaf s GLU 51 N 0.00 2.04 0.46 4.33 2.12 -1.26 -5.15 118.70 121.24 3kaf s GLU 51 Ca 0.00 -0.98 -0.07 0.00 0.36 0.00 0.00 54.97 54.28 3kaf s GLU 51 Cb 0.00 -2.12 -0.05 0.00 0.26 0.00 0.00 34.13 32.23 3kaf s GLU 51 CO 0.00 0.54 0.79 -1.25 -0.54 0.00 0.00 175.26 174.81 3kaf s PRO 52 N -1.14 3.63 0.07 4.30 0.04 -1.26 -5.05 135.00 135.59 3kaf s PRO 52 Ca 0.12 0.32 -0.14 0.00 0.04 0.00 0.00 61.00 61.35 3kaf s PRO 52 Cb -0.10 -2.37 -0.23 0.00 0.04 0.00 0.00 34.50 31.84 3kaf s PRO 52 CO 0.02 -0.17 1.19 0.00 0.04 0.00 0.00 177.00 178.09 3kaf h ALA 53 N 0.56 0.13 -3.61 8.56 0.00 -2.02 -3.46 119.26 119.42 3kaf h ALA 53 Ca -0.47 -0.69 -0.47 0.00 0.00 0.00 0.00 54.91 53.27 3kaf h ALA 53 Cb 1.20 0.06 -0.23 0.00 0.00 0.00 0.00 17.79 18.82 3kaf h ALA 53 CO 0.62 0.68 -0.80 1.03 0.00 0.00 0.00 179.25 180.79 3kaf s ARG 54 N -3.33 0.98 0.31 0.00 0.52 -1.26 -4.27 118.95 111.90 3kaf s ARG 54 Ca -0.10 -0.98 0.04 0.00 -0.52 0.00 0.00 55.73 54.17 3kaf s ARG 54 Cb 0.07 -1.07 -0.06 0.00 0.52 0.00 0.00 34.95 34.41 3kaf s ARG 54 CO 0.92 0.25 0.05 0.14 0.02 0.00 0.00 175.30 176.69 3kaf s VAL 55 N -1.12 1.13 -0.05 3.52 -7.23 0.09 -4.93 120.40 111.82 3kaf s VAL 55 Ca 0.02 -2.01 0.02 0.00 -1.81 0.00 0.00 61.98 58.21 3kaf s VAL 55 Cb -0.09 -2.74 0.01 0.00 0.56 0.00 0.00 36.38 34.11 3kaf s VAL 55 CO 0.03 -0.03 -0.11 -0.60 -0.31 0.00 0.00 175.10 174.08 3kaf s ARG 56 N -3.90 1.42 0.04 4.82 3.52 0.36 0.08 118.95 125.29 3kaf s ARG 56 Ca 0.36 -0.36 0.04 0.00 -0.13 0.00 0.00 55.73 55.64 3kaf s ARG 56 Cb 0.08 -1.23 -0.02 0.00 -1.56 0.00 0.00 34.95 32.23 3kaf s ARG 56 CO 0.15 0.05 -0.11 0.00 -0.81 0.00 0.00 175.30 174.58 3kaf s SER 58 N -1.14 5.33 0.17 0.00 0.01 0.51 -1.31 113.70 117.27 3kaf s SER 58 Ca -0.02 -0.49 -0.13 0.00 1.31 0.00 0.00 55.95 56.63 3kaf s SER 58 Cb -0.08 -0.97 0.01 0.00 0.21 0.00 0.00 66.02 65.20 3kaf s SER 58 CO 0.01 -0.38 0.38 -1.38 0.41 0.00 0.00 173.24 172.28 3kaf s HIS 59 N -2.31 0.12 -0.13 2.43 -3.43 -0.05 -0.22 115.29 111.70 3kaf s HIS 59 Ca 0.42 -0.48 0.02 0.00 -0.80 0.00 0.00 55.06 54.22 3kaf s HIS 59 Cb -0.06 0.15 0.01 0.00 -1.43 0.00 0.00 32.58 31.26 3kaf s HIS 59 CO 0.27 -0.79 -0.19 -1.17 -2.00 0.00 0.00 174.74 170.87 3kaf s LEU 60 N -2.91 1.94 -0.09 5.38 0.20 -0.31 -4.49 118.68 118.40 3kaf s LEU 60 Ca 0.12 -0.54 0.00 0.00 0.69 0.00 0.00 54.13 54.40 3kaf s LEU 60 Cb 0.02 -1.30 -0.03 0.00 -0.43 0.00 0.00 46.19 44.45 3kaf s LEU 60 CO -0.03 0.04 -0.08 -0.22 -0.29 0.00 0.00 176.35 175.77 3kaf s LEU 61 N 0.98 3.07 -0.27 -0.68 2.96 -1.26 -0.92 118.68 122.56 3kaf s LEU 61 Ca -0.05 -0.11 0.02 0.00 -0.22 0.00 0.00 54.13 53.77 3kaf s LEU 61 Cb -0.15 -1.68 0.06 0.00 0.50 0.00 0.00 46.19 44.92 3kaf s LEU 61 CO -0.04 0.29 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.52 3kaf s VAL 62 N -0.40 2.42 0.64 1.68 1.01 -0.81 0.24 120.40 125.18 3kaf s VAL 62 Ca 0.06 -1.56 -0.14 0.00 0.00 0.00 0.00 61.98 60.34 3kaf s VAL 62 Cb -0.12 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.82 3kaf s VAL 62 CO 0.02 -0.05 1.06 -0.54 0.00 0.00 0.00 175.10 175.59 3kaf s LYS 63 N 1.15 3.12 0.35 2.72 1.02 -1.26 -1.73 119.74 125.11 3kaf s LYS 63 Ca -0.08 1.13 0.07 0.00 0.02 0.00 0.00 55.97 57.11 3kaf s LYS 63 Cb -0.20 -2.01 -0.03 0.00 -0.52 0.00 0.00 37.83 35.08 3kaf s LYS 63 CO -0.04 -0.96 0.25 -2.39 -0.92 0.00 0.00 175.35 171.29 3kaf n HIS 64 N -2.46 -0.59 0.33 3.18 1.44 -1.26 -4.83 115.22 111.02 3kaf n HIS 64 Ca 0.08 -2.76 0.15 0.00 -2.01 0.00 0.00 57.72 53.19 3kaf n HIS 64 Cb 0.53 0.23 0.54 0.00 0.12 0.00 0.00 29.99 31.41 3kaf n HIS 64 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 3kaf h SER 65 N 1.95 0.00 -0.67 4.39 4.64 -1.47 0.20 113.55 122.59 3kaf h SER 65 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3kaf h SER 65 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3kaf h SER 65 CO 0.38 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.34 3kaf n GLN 66 N -2.81 3.23 -1.94 4.77 6.02 -1.26 -4.86 117.38 120.53 3kaf n GLN 66 Ca 0.02 -2.75 -0.38 0.00 -0.01 0.00 0.00 57.00 53.88 3kaf n GLN 66 Cb 0.33 -1.71 0.02 0.00 1.02 0.00 0.00 30.24 29.90 3kaf n GLN 66 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3kaf s SER 67 N -0.97 5.56 0.00 1.08 0.01 0.70 -4.88 113.70 115.19 3kaf s SER 67 Ca 0.49 2.61 0.00 0.00 1.31 0.00 0.00 55.95 60.36 3kaf s SER 67 Cb 0.29 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.89 3kaf s SER 67 CO 0.28 -1.36 0.93 -1.14 0.41 0.00 0.00 173.24 172.36 3kaf n ARG 68 N -0.86 0.00 -3.39 12.44 0.63 0.14 -3.62 116.66 122.00 3kaf n ARG 68 Ca 0.09 0.90 -0.44 0.00 -0.92 0.00 0.00 57.85 57.49 3kaf n ARG 68 Cb 0.46 -1.43 -0.07 0.00 0.45 0.00 0.00 32.46 31.87 3kaf n ARG 68 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 3kaf s ARG 69 N -2.73 2.86 0.00 -0.14 3.52 -1.26 -4.97 118.95 116.23 3kaf s ARG 69 Ca 0.00 -1.63 -0.04 0.00 -0.13 0.00 0.00 55.73 53.93 3kaf s ARG 69 Cb 0.00 -4.16 -0.18 0.00 -1.56 0.00 0.00 34.95 29.06 3kaf s ARG 69 CO 0.00 -1.22 2.61 -2.30 -0.81 0.00 0.00 175.30 173.59 3kaf n PRO 70 N 5.15 1.36 -3.70 5.12 -0.02 -1.24 -4.73 135.00 136.94 3kaf n PRO 70 Ca -0.12 -0.66 -0.14 0.00 -2.02 0.00 0.00 63.50 60.56 3kaf n PRO 70 Cb 0.41 -1.81 -0.09 0.00 -0.02 0.00 0.00 33.50 31.99 3kaf n PRO 70 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3kaf s SER 71 N 2.29 -0.47 0.31 2.55 0.15 -1.26 0.19 113.70 117.45 3kaf s SER 71 Ca 0.44 0.84 -0.12 0.00 0.70 0.00 0.00 55.95 57.81 3kaf s SER 71 Cb 0.21 0.86 0.01 0.00 -1.71 0.00 0.00 66.02 65.40 3kaf s SER 71 CO 0.00 -0.23 0.58 -0.94 1.20 0.00 0.00 173.24 173.85 3kaf s SER 72 N -0.05 0.17 0.63 5.45 1.04 -0.11 -4.94 113.70 115.90 3kaf s SER 72 Ca -0.02 -1.08 0.40 0.00 0.48 0.00 0.00 55.95 55.72 3kaf s SER 72 Cb -0.03 0.69 2.14 0.00 0.10 0.00 0.00 66.02 68.91 3kaf s SER 72 CO 0.02 -1.34 2.28 4.11 0.98 0.00 0.00 173.24 179.29 3kaf h TRP 73 N 2.12 0.00 0.00 5.02 5.08 -1.95 -2.74 115.95 123.48 3kaf h TRP 73 Ca -0.27 0.00 -0.21 0.00 1.08 0.00 0.00 58.89 59.49 3kaf h TRP 73 Cb 1.25 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 27.37 3kaf h TRP 73 CO 0.91 0.01 -1.14 0.00 -1.28 0.00 0.00 178.44 176.94 3kaf h ARG 74 N 0.00 0.00 -1.53 0.12 3.08 -1.91 -3.47 114.38 110.67 3kaf h ARG 74 Ca -0.00 0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.17 3kaf h ARG 74 Cb 0.10 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 29.93 3kaf h ARG 74 CO 0.00 0.76 0.08 -1.14 -1.07 0.00 0.00 179.97 178.61 3kaf s GLN 75 N -2.73 0.45 0.15 0.04 0.74 -1.03 -5.08 119.66 112.19 3kaf s GLN 75 Ca -0.00 1.05 -0.11 0.00 0.05 0.00 0.00 55.36 56.35 3kaf s GLN 75 Cb 0.09 0.55 -0.02 0.00 1.10 0.00 0.00 33.01 34.74 3kaf s GLN 75 CO 0.81 -0.14 1.52 1.49 -0.55 0.00 0.00 175.29 178.42 3kaf h GLU 76 N 7.52 0.95 -5.17 1.67 4.81 -1.92 -0.27 114.58 122.15 3kaf h GLU 76 Ca -0.19 -0.43 -0.65 0.00 -0.13 0.00 0.00 59.36 57.96 3kaf h GLU 76 Cb 1.13 -0.02 -0.26 0.00 0.63 0.00 0.00 28.75 30.23 3kaf h GLU 76 CO 0.11 1.10 -0.73 0.21 -0.73 0.00 0.00 179.01 178.96 3kaf s LYS 77 N -4.59 3.44 -0.19 1.92 2.20 -1.26 -4.32 119.74 116.94 3kaf s LYS 77 Ca -0.11 -0.63 -0.21 0.00 -0.36 0.00 0.00 55.97 54.66 3kaf s LYS 77 Cb 0.11 -2.85 -0.02 0.00 -1.51 0.00 0.00 37.83 33.56 3kaf s LYS 77 CO 0.87 0.04 0.65 0.42 -0.36 0.00 0.00 175.35 176.97 3kaf s ILE 78 N 0.84 5.01 0.00 5.43 1.09 0.51 -4.92 121.20 129.16 3kaf s ILE 78 Ca -0.02 1.23 0.00 0.00 -1.10 0.00 0.00 60.65 60.76 3kaf s ILE 78 Cb -0.15 -3.96 0.00 0.00 -1.06 0.00 0.00 42.46 37.29 3kaf s ILE 78 CO 0.01 0.11 0.00 0.35 -0.10 0.00 0.00 174.94 175.31 3kaf n THR 79 N 4.65 0.00 -1.58 2.92 -2.24 -1.26 -4.54 114.28 112.22 3kaf n THR 79 Ca -0.01 -0.37 -0.36 0.00 -2.27 0.00 0.00 64.05 61.04 3kaf n THR 79 Cb 0.50 0.96 0.08 0.00 -2.10 0.00 0.00 70.33 69.77 3kaf n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kaf s ARG 80 N -0.85 2.32 0.61 -0.78 1.70 -1.26 -4.76 118.95 115.93 3kaf s ARG 80 Ca 0.00 1.97 -0.04 0.00 -0.47 0.00 0.00 55.73 57.19 3kaf s ARG 80 Cb 0.00 -1.83 0.03 0.00 -0.57 0.00 0.00 34.95 32.58 3kaf s ARG 80 CO 0.00 -1.75 0.89 0.95 -1.08 0.00 0.00 175.30 174.31 3kaf s THR 81 N -1.61 2.93 0.27 4.99 -4.23 -1.26 -1.39 115.64 115.34 3kaf s THR 81 Ca 0.80 -0.30 -0.01 0.00 -1.18 0.00 0.00 61.69 61.00 3kaf s THR 81 Cb -0.35 -3.18 0.26 0.00 1.34 0.00 0.00 72.50 70.58 3kaf s THR 81 CO 0.42 -0.17 1.84 0.50 -0.54 0.00 0.00 174.62 176.67 3kaf h LYS 82 N -0.23 0.95 -0.35 3.99 3.64 -1.95 -2.06 116.57 120.57 3kaf h LYS 82 Ca -0.44 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 3kaf h LYS 82 Cb 1.29 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.88 3kaf h LYS 82 CO 0.58 0.63 0.22 1.49 -2.27 0.00 0.00 179.45 180.10 3kaf h GLU 83 N 0.97 0.46 -0.38 1.90 4.81 -2.00 -2.45 114.58 117.90 3kaf h GLU 83 Ca 0.46 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.54 3kaf h GLU 83 Cb 0.41 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 3kaf h GLU 83 CO -0.25 0.33 -0.27 0.93 -0.73 0.00 0.00 179.01 179.02 3kaf h GLU 84 N 0.46 0.78 -0.93 1.92 5.08 -1.86 -1.42 114.58 118.62 3kaf h GLU 84 Ca 0.13 -0.34 0.11 0.00 -1.00 0.00 0.00 59.36 58.26 3kaf h GLU 84 Cb -0.03 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.12 3kaf h GLU 84 CO -0.03 0.96 0.56 0.00 -1.00 0.00 0.00 179.01 179.50 3kaf h ALA 85 N 1.02 1.37 0.03 3.43 0.00 -1.33 -1.45 119.26 122.35 3kaf h ALA 85 Ca 0.08 0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.81 3kaf h ALA 85 Cb 0.79 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3kaf h ALA 85 CO 0.07 0.15 -0.99 1.25 0.00 0.00 0.00 179.25 179.73 3kaf h LEU 86 N 0.89 0.25 -0.79 0.00 5.85 -0.94 -1.38 115.31 119.19 3kaf h LEU 86 Ca 0.46 -0.23 0.05 0.00 0.84 0.00 0.00 57.88 59.00 3kaf h LEU 86 Cb 0.46 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.36 3kaf h LEU 86 CO -0.27 1.10 0.49 -0.33 -0.34 0.00 0.00 178.44 179.09 3kaf h GLU 87 N 0.08 0.89 0.22 1.25 5.08 -0.96 -0.15 114.58 121.00 3kaf h GLU 87 Ca -0.06 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 3kaf h GLU 87 Cb 1.67 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.72 3kaf h GLU 87 CO 0.15 0.59 -0.11 -0.07 -1.00 0.00 0.00 179.01 178.58 3kaf h LEU 88 N 0.92 -0.25 -0.74 1.33 3.38 -0.98 -1.01 115.31 117.97 3kaf h LEU 88 Ca 0.33 -0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.33 3kaf h LEU 88 Cb 0.10 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.85 3kaf h LEU 88 CO -0.14 -0.12 0.42 0.40 0.09 0.00 0.00 178.44 179.08 3kaf h ILE 89 N -0.36 0.95 -0.55 1.22 1.08 -1.20 0.19 117.51 118.83 3kaf h ILE 89 Ca -0.03 -0.25 -0.10 0.00 -0.39 0.00 0.00 64.86 64.09 3kaf h ILE 89 Cb 0.28 0.14 -0.02 0.00 -3.07 0.00 0.00 36.82 34.15 3kaf h ILE 89 CO 0.05 0.14 -0.05 0.78 -0.69 0.00 0.00 178.15 178.38 3kaf h ASN 90 N 0.74 0.97 -0.40 1.72 2.35 -0.92 -0.25 115.58 119.79 3kaf h ASN 90 Ca 0.34 -0.29 -0.03 0.00 -0.55 0.00 0.00 56.30 55.77 3kaf h ASN 90 Cb 0.25 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 3kaf h ASN 90 CO -0.21 1.05 0.13 1.23 -1.65 0.00 0.00 177.43 177.98 3kaf h GLY 91 N 0.98 0.66 1.01 2.83 0.00 -0.49 -2.06 103.07 106.00 3kaf h GLY 91 Ca 0.15 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 3kaf h GLY 91 CO 0.04 0.36 0.38 -0.97 0.00 0.00 0.00 176.54 176.35 3kaf h TYR 92 N 0.50 0.98 -0.57 5.60 0.99 -0.49 -2.45 116.97 121.53 3kaf h TYR 92 Ca 0.13 -0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.83 3kaf h TYR 92 Cb 0.25 -0.31 -0.03 0.00 1.00 0.00 0.00 36.73 37.64 3kaf h TYR 92 CO 0.01 0.70 0.37 0.82 -0.00 0.00 0.00 178.16 180.06 3kaf h ILE 93 N 0.98 1.15 0.22 -2.88 2.04 -0.81 -1.08 117.51 117.13 3kaf h ILE 93 Ca 0.25 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 3kaf h ILE 93 Cb 0.05 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 36.45 3kaf h ILE 93 CO -0.04 0.15 -0.10 1.56 0.00 0.00 0.00 178.15 179.72 3kaf h GLN 94 N 0.78 -0.28 -0.42 2.37 4.20 -0.93 0.45 115.11 121.28 3kaf h GLN 94 Ca 0.21 0.02 0.09 0.00 0.06 0.00 0.00 58.65 59.03 3kaf h GLN 94 Cb -0.07 0.06 -0.09 0.00 0.30 0.00 0.00 27.48 27.69 3kaf h GLN 94 CO -0.04 0.07 -0.16 0.87 -0.67 0.00 0.00 178.83 178.90 3kaf h LYS 95 N -0.70 -0.07 0.67 1.46 1.57 -1.37 0.22 116.57 118.34 3kaf h LYS 95 Ca -0.03 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 3kaf h LYS 95 Cb 0.49 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 3kaf h LYS 95 CO 0.05 -0.05 -0.44 0.82 -0.57 0.00 0.00 179.45 179.26 3kaf h ILE 96 N -0.08 0.11 -0.40 1.86 2.04 -1.12 -1.70 117.51 118.24 3kaf h ILE 96 Ca 0.21 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.13 3kaf h ILE 96 Cb 0.39 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 3kaf h ILE 96 CO -0.48 0.00 0.27 0.11 0.00 0.00 0.00 178.15 178.05 3kaf h LYS 97 N -1.05 0.24 -0.00 2.37 1.57 -0.72 -0.63 116.57 118.36 3kaf h LYS 97 Ca -0.08 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3kaf h LYS 97 Cb 0.86 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.12 3kaf h LYS 97 CO 0.06 0.16 -0.05 -1.13 -0.57 0.00 0.00 179.45 177.93 3kaf n SER 98 N -4.47 0.30 0.00 0.86 3.41 0.75 -4.91 113.62 109.56 3kaf n SER 98 Ca 0.05 -0.62 0.00 0.00 -0.26 0.00 0.00 58.87 58.04 3kaf n SER 98 Cb 0.29 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 3kaf n SER 98 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kaf n GLY 99 N 1.21 0.72 0.00 5.00 0.00 -0.24 -4.89 105.19 106.99 3kaf n GLY 99 Ca 0.17 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.24 3kaf n GLY 99 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3kaf n GLU 100 N -2.00 0.06 -3.57 1.61 2.13 -0.75 -4.73 120.64 113.39 3kaf n GLU 100 Ca 0.00 0.27 -0.06 0.00 0.66 0.00 0.00 57.16 58.03 3kaf n GLU 100 Cb 0.00 -1.50 -0.02 0.00 0.27 0.00 0.00 31.44 30.19 3kaf n GLU 100 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 3kaf s GLU 101 N -2.81 0.83 0.31 5.31 0.41 -1.22 -5.02 118.70 116.51 3kaf s GLU 101 Ca 0.07 -0.36 0.11 0.00 -0.41 0.00 0.00 54.97 54.37 3kaf s GLU 101 Cb 0.07 0.35 -0.06 0.00 -1.78 0.00 0.00 34.13 32.71 3kaf s GLU 101 CO 0.17 -0.37 -0.15 0.16 -0.49 0.00 0.00 175.26 174.58 3kaf s ASP 102 N -2.58 3.61 0.16 -0.19 3.84 -1.26 -4.06 116.67 116.20 3kaf s ASP 102 Ca 0.07 -1.11 -0.25 0.00 -0.00 0.00 0.00 52.55 51.26 3kaf s ASP 102 Cb -0.01 -0.32 0.04 0.00 -1.38 0.00 0.00 42.92 41.26 3kaf s ASP 102 CO -0.06 -0.09 1.58 0.15 -0.00 0.00 0.00 175.17 176.75 3kaf h PHE 103 N 2.16 -1.11 -0.61 2.11 3.57 -1.96 -1.43 116.94 119.68 3kaf h PHE 103 Ca -0.41 0.07 0.12 0.00 3.53 0.00 0.00 57.97 61.28 3kaf h PHE 103 Cb 1.25 0.55 -0.11 0.00 2.79 0.00 0.00 35.95 40.43 3kaf h PHE 103 CO 0.79 -0.41 -0.13 0.93 -2.23 0.00 0.00 178.31 177.25 3kaf h GLU 104 N -0.27 0.01 -0.05 1.11 3.07 -1.96 0.58 114.58 117.07 3kaf h GLU 104 Ca 0.17 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.02 3kaf h GLU 104 Cb 0.56 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.47 3kaf h GLU 104 CO -0.60 0.01 -0.02 1.03 -1.40 0.00 0.00 179.01 178.03 3kaf h SER 105 N 0.01 0.10 -0.59 1.42 0.87 -1.64 -0.56 113.55 113.15 3kaf h SER 105 Ca 0.30 -0.40 0.08 0.00 -1.23 0.00 0.00 61.79 60.54 3kaf h SER 105 Cb 0.46 -0.03 -0.06 0.00 -0.44 0.00 0.00 62.40 62.32 3kaf h SER 105 CO -0.62 0.48 0.25 -0.07 -0.53 0.00 0.00 176.83 176.34 3kaf h LEU 106 N -0.28 0.30 -0.20 2.23 3.38 -1.21 0.02 115.31 119.55 3kaf h LEU 106 Ca 0.01 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.07 3kaf h LEU 106 Cb 0.44 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 3kaf h LEU 106 CO 0.01 0.19 0.04 0.00 0.09 0.00 0.00 178.44 178.76 3kaf h ALA 107 N 1.38 0.20 -0.32 1.53 0.00 0.30 0.41 119.26 122.76 3kaf h ALA 107 Ca 0.29 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.27 3kaf h ALA 107 Cb 0.31 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3kaf h ALA 107 CO -0.26 -0.39 0.13 0.77 0.00 0.00 0.00 179.25 179.50 3kaf h SER 108 N 0.12 0.16 -0.15 0.00 0.02 -0.98 -1.71 113.55 111.02 3kaf h SER 108 Ca 0.09 0.03 -0.11 0.00 -0.84 0.00 0.00 61.79 60.96 3kaf h SER 108 Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 3kaf h SER 108 CO -0.12 0.13 -0.33 1.56 -1.14 0.00 0.00 176.83 176.93 3kaf h GLN 109 N 0.28 0.49 0.00 3.45 4.20 -0.78 -3.42 115.11 119.33 3kaf h GLN 109 Ca 0.14 -0.33 0.00 0.00 0.06 0.00 0.00 58.65 58.52 3kaf h GLN 109 Cb 0.09 0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.91 3kaf h GLN 109 CO -0.12 0.94 -0.66 1.19 -0.67 0.00 0.00 178.83 179.50 3kaf n PHE 110 N -4.35 0.00 -2.30 2.96 3.01 0.14 -4.99 117.46 111.93 3kaf n PHE 110 Ca -0.07 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 57.98 3kaf n PHE 110 Cb 0.50 -0.05 -0.03 0.00 -0.01 0.00 0.00 39.48 39.88 3kaf n PHE 110 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3kaf s SER 111 N -1.98 6.98 0.00 4.37 0.15 -0.65 -4.88 113.70 117.70 3kaf s SER 111 Ca 0.00 2.27 0.22 0.00 0.70 0.00 0.00 55.95 59.15 3kaf s SER 111 Cb 0.04 -2.60 1.14 0.00 -1.71 0.00 0.00 66.02 62.89 3kaf s SER 111 CO 0.24 -0.48 1.71 0.47 1.20 0.00 0.00 173.24 176.37 3kaf n ASP 112 N 2.97 0.00 -4.80 5.45 8.00 0.14 -4.74 116.55 123.57 3kaf n ASP 112 Ca 0.07 -0.14 -0.38 0.00 0.71 0.00 0.00 54.79 55.05 3kaf n ASP 112 Cb 0.44 -0.24 -0.06 0.00 -0.02 0.00 0.00 41.12 41.24 3kaf n ASP 112 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kaf h SER 114 N 4.06 0.00 0.00 0.00 4.64 -2.01 0.20 113.55 120.45 3kaf h SER 114 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3kaf h SER 114 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3kaf h SER 114 CO 0.65 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.07 3kaf n SER 115 N -2.64 0.00 -0.29 4.97 3.41 -1.26 -2.88 113.62 114.93 3kaf n SER 115 Ca -0.01 -0.21 0.02 0.00 -0.26 0.00 0.00 58.87 58.40 3kaf n SER 115 Cb 0.09 0.00 0.21 0.00 -0.26 0.00 0.00 64.21 64.25 3kaf n SER 115 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kaf h ALA 116 N 2.31 1.45 0.00 7.33 0.00 -0.86 0.40 119.26 129.88 3kaf h ALA 116 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3kaf h ALA 116 Cb 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.48 3kaf h ALA 116 CO 0.00 0.47 0.00 0.36 0.00 0.00 0.00 179.25 180.08 3kaf n LYS 117 N -4.44 0.13 -0.81 0.00 2.85 -1.14 -1.43 118.16 113.33 3kaf n LYS 117 Ca 0.11 0.17 -0.03 0.00 -1.05 0.00 0.00 58.31 57.51 3kaf n LYS 117 Cb 0.10 -1.50 0.20 0.00 -0.65 0.00 0.00 35.03 33.18 3kaf n LYS 117 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3kaf n ALA 118 N -1.38 4.23 -2.21 0.58 0.00 -0.47 -4.90 120.51 116.34 3kaf n ALA 118 Ca 0.06 -3.22 -0.20 0.00 0.00 0.00 0.00 53.44 50.08 3kaf n ALA 118 Cb 0.16 -0.64 -0.03 0.00 0.00 0.00 0.00 19.45 18.95 3kaf n ALA 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kaf n ARG 119 N -1.11 -1.55 -0.81 0.00 1.74 -0.51 -1.34 116.66 113.07 3kaf n ARG 119 Ca 0.31 1.02 0.00 0.00 -0.77 0.00 0.00 57.85 58.40 3kaf n ARG 119 Cb 0.95 -5.57 0.00 0.00 -1.02 0.00 0.00 32.46 26.82 3kaf n ARG 119 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kaf n GLY 120 N -0.92 0.77 3.73 -0.13 0.00 0.13 -4.64 105.19 104.13 3kaf n GLY 120 Ca -0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 3kaf n GLY 120 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kaf s ASP 121 N -2.55 7.11 0.00 1.61 2.15 -0.45 -0.87 116.67 123.67 3kaf s ASP 121 Ca 0.00 2.11 0.14 0.00 0.43 0.00 0.00 52.55 55.23 3kaf s ASP 121 Cb 0.00 -2.59 -0.04 0.00 -0.30 0.00 0.00 42.92 39.99 3kaf s ASP 121 CO 0.00 -0.40 0.74 0.18 -0.17 0.00 0.00 175.17 175.52 3kaf n LEU 122 N 3.16 1.28 0.00 -1.34 4.77 -0.42 -4.87 117.00 119.58 3kaf n LEU 122 Ca 0.06 -0.70 0.00 0.00 -0.03 0.00 0.00 56.01 55.35 3kaf n LEU 122 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 3kaf n LEU 122 CO 0.55 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 3kaf n GLY 123 N 1.14 -1.08 3.85 -0.72 0.00 -1.26 -4.91 105.19 102.21 3kaf n GLY 123 Ca 0.05 -1.63 -0.32 0.00 0.00 0.00 0.00 46.02 44.13 3kaf n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kaf s ALA 124 N -1.27 3.19 0.18 4.61 0.00 -1.26 -3.79 121.76 123.42 3kaf s ALA 124 Ca 0.00 0.10 -0.17 0.00 0.00 0.00 0.00 51.96 51.89 3kaf s ALA 124 Cb 0.00 -2.94 0.03 0.00 0.00 0.00 0.00 23.12 20.21 3kaf s ALA 124 CO 0.00 0.04 0.50 -0.59 0.00 0.00 0.00 175.76 175.70 3kaf s PHE 125 N -2.31 -0.15 0.32 0.00 -0.12 0.11 -4.96 117.98 110.87 3kaf s PHE 125 Ca 0.57 -0.17 0.04 0.00 -0.05 0.00 0.00 56.93 57.31 3kaf s PHE 125 Cb -0.10 0.36 -0.06 0.00 -0.63 0.00 0.00 43.02 42.59 3kaf s PHE 125 CO 0.24 -0.86 0.06 -1.54 -0.05 0.00 0.00 175.22 173.07 3kaf s SER 126 N -2.85 2.34 0.28 1.98 1.04 -1.26 -0.73 113.70 114.51 3kaf s SER 126 Ca 0.07 -1.38 -0.30 0.00 0.48 0.00 0.00 55.95 54.82 3kaf s SER 126 Cb -0.00 -0.06 -0.13 0.00 0.10 0.00 0.00 66.02 65.93 3kaf s SER 126 CO -0.06 -0.62 1.35 0.54 0.98 0.00 0.00 173.24 175.43 3kaf n ARG 127 N -0.68 2.06 0.00 4.02 1.74 -1.26 -2.59 116.66 119.94 3kaf n ARG 127 Ca -0.02 0.73 0.00 0.00 -0.77 0.00 0.00 57.85 57.79 3kaf n ARG 127 Cb 0.67 -2.34 0.00 0.00 -1.02 0.00 0.00 32.46 29.76 3kaf n ARG 127 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kaf n GLY 128 N 1.56 1.93 0.17 -0.13 0.00 -1.26 -4.95 105.19 102.51 3kaf n GLY 128 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 3kaf n GLY 128 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3kaf h GLN 129 N 0.45 0.59 -6.51 1.61 4.20 -1.93 -3.48 115.11 110.05 3kaf h GLN 129 Ca 0.00 -0.78 -0.64 0.00 0.06 0.00 0.00 58.65 57.30 3kaf h GLN 129 Cb 0.00 0.25 -0.19 0.00 0.30 0.00 0.00 27.48 27.85 3kaf h GLN 129 CO 0.00 1.35 -0.82 -1.64 -0.67 0.00 0.00 178.83 177.05 3kaf s MET 130 N -2.99 1.48 0.19 1.46 -1.94 -1.26 -5.10 119.30 111.14 3kaf s MET 130 Ca -0.10 -1.51 -0.31 0.00 -1.71 0.00 0.00 55.69 52.06 3kaf s MET 130 Cb 0.05 -1.77 -0.16 0.00 2.01 0.00 0.00 34.83 34.96 3kaf s MET 130 CO 0.92 0.38 0.85 0.00 -0.01 0.00 0.00 175.02 177.16 3kaf n ALA 131 N 0.27 -1.85 -0.07 3.03 0.00 -1.26 -4.52 120.51 116.11 3kaf n ALA 131 Ca -0.13 0.45 -0.13 0.00 0.00 0.00 0.00 53.44 53.64 3kaf n ALA 131 Cb 0.56 -1.82 -0.06 0.00 0.00 0.00 0.00 19.45 18.13 3kaf n ALA 131 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3kaf h LYS 132 N 2.03 0.52 -0.89 0.00 1.79 -1.98 0.14 116.57 118.19 3kaf h LYS 132 Ca -0.37 -0.26 0.21 0.00 -2.18 0.00 0.00 60.65 58.05 3kaf h LYS 132 Cb 1.39 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 31.93 3kaf h LYS 132 CO 0.62 0.84 0.40 -1.35 -1.08 0.00 0.00 179.45 178.88 3kaf h PRO 133 N 0.21 0.41 -0.10 3.15 0.10 -1.89 0.17 132.00 134.05 3kaf h PRO 133 Ca 0.04 -0.02 -0.23 0.00 0.10 0.00 0.00 66.00 65.89 3kaf h PRO 133 Cb 0.73 -0.09 0.01 0.00 0.10 0.00 0.00 31.00 31.75 3kaf h PRO 133 CO 0.05 0.27 -0.82 0.35 0.10 0.00 0.00 178.00 177.95 3kaf h PHE 134 N 0.42 1.02 -0.30 0.65 3.57 -1.54 -2.69 116.94 118.07 3kaf h PHE 134 Ca 0.55 -0.48 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 3kaf h PHE 134 Cb 1.02 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.61 3kaf h PHE 134 CO -0.13 1.31 0.08 1.49 -2.23 0.00 0.00 178.31 178.84 3kaf h GLU 135 N 0.44 0.48 -0.67 1.11 4.81 0.04 0.91 114.58 121.69 3kaf h GLU 135 Ca -0.07 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.04 3kaf h GLU 135 Cb 1.46 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.74 3kaf h GLU 135 CO 0.17 0.54 0.41 -0.44 -0.73 0.00 0.00 179.01 178.95 3kaf h ASP 136 N 0.33 0.81 -0.35 1.04 3.32 -0.66 0.15 116.42 121.05 3kaf h ASP 136 Ca 0.10 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 3kaf h ASP 136 Cb 0.27 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 3kaf h ASP 136 CO -0.00 0.63 0.10 0.00 -1.72 0.00 0.00 179.24 178.25 3kaf h ALA 137 N 1.21 0.46 -0.39 3.45 0.00 -1.38 -0.53 119.26 122.09 3kaf h ALA 137 Ca 0.24 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.03 3kaf h ALA 137 Cb -0.03 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 3kaf h ALA 137 CO -0.05 0.12 0.13 0.77 0.00 0.00 0.00 179.25 180.22 3kaf h SER 138 N 0.42 0.13 1.57 0.00 0.02 -0.10 -1.56 113.55 114.03 3kaf h SER 138 Ca 0.11 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3kaf h SER 138 Cb 0.27 0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.85 3kaf h SER 138 CO -0.00 0.11 0.00 -0.26 -1.14 0.00 0.00 176.83 175.54 3kaf h PHE 139 N 0.29 0.00 -0.00 3.45 -1.00 -0.57 -2.92 116.94 116.18 3kaf h PHE 139 Ca 0.18 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.96 3kaf h PHE 139 Cb 0.16 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.72 3kaf h PHE 139 CO -0.15 0.00 -0.49 0.00 -1.61 0.00 0.00 178.31 176.06 3kaf n ALA 140 N -1.97 3.56 -1.79 2.45 0.00 -0.22 -4.88 120.51 117.65 3kaf n ALA 140 Ca 0.04 -0.40 -0.32 0.00 0.00 0.00 0.00 53.44 52.75 3kaf n ALA 140 Cb 0.44 -1.07 -0.03 0.00 0.00 0.00 0.00 19.45 18.79 3kaf n ALA 140 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kaf s LEU 141 N -2.84 3.63 0.44 0.00 1.43 -0.63 -4.98 118.68 115.73 3kaf s LEU 141 Ca 0.15 1.67 -0.06 0.00 -1.03 0.00 0.00 54.13 54.85 3kaf s LEU 141 Cb 0.18 -4.52 -0.04 0.00 0.03 0.00 0.00 46.19 41.83 3kaf s LEU 141 CO 0.66 -0.74 0.75 -0.13 0.23 0.00 0.00 176.35 177.13 3kaf s ARG 142 N -3.94 3.61 0.21 1.70 0.52 -1.26 -5.00 118.95 114.78 3kaf s ARG 142 Ca 0.61 0.23 -0.32 0.00 -0.52 0.00 0.00 55.73 55.72 3kaf s ARG 142 Cb -0.12 -2.42 -0.12 0.00 0.52 0.00 0.00 34.95 32.81 3kaf s ARG 142 CO 0.31 -0.11 1.71 2.41 0.02 0.00 0.00 175.30 179.63 3kaf n THR 143 N -1.88 0.03 -0.13 0.02 -1.04 -1.26 -0.82 114.28 109.20 3kaf n THR 143 Ca 0.01 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3kaf n THR 143 Cb 0.55 -1.94 0.00 0.00 -1.82 0.00 0.00 70.33 67.12 3kaf n THR 143 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kaf n GLY 144 N 3.87 1.53 3.83 3.41 0.00 0.25 -5.01 105.19 113.06 3kaf n GLY 144 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 3kaf n GLY 144 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kaf s GLU 145 N -0.42 4.12 -0.15 1.61 2.12 -0.00 -4.82 118.70 121.16 3kaf s GLU 145 Ca 0.00 0.67 -0.05 0.00 0.36 0.00 0.00 54.97 55.95 3kaf s GLU 145 Cb 0.00 -2.96 -0.04 0.00 0.26 0.00 0.00 34.13 31.39 3kaf s GLU 145 CO 0.00 0.47 0.04 1.41 -0.54 0.00 0.00 175.26 176.64 3kaf s MET 146 N -1.82 3.63 0.90 4.30 -2.45 -1.26 -2.16 119.30 120.43 3kaf s MET 146 Ca 0.38 -0.37 -0.11 0.00 -1.25 0.00 0.00 55.69 54.34 3kaf s MET 146 Cb -0.16 -3.06 0.13 0.00 1.25 0.00 0.00 34.83 32.99 3kaf s MET 146 CO 0.20 0.43 1.10 -1.54 1.05 0.00 0.00 175.02 176.25 3kaf s SER 147 N -0.09 3.30 0.32 1.11 1.04 0.19 -4.79 113.70 114.78 3kaf s SER 147 Ca 0.06 1.74 0.00 0.00 0.48 0.00 0.00 55.95 58.23 3kaf s SER 147 Cb -0.12 -2.37 0.00 0.00 0.10 0.00 0.00 66.02 63.63 3kaf s SER 147 CO 0.01 -2.79 0.00 0.61 0.98 0.00 0.00 173.24 172.06 3kaf n GLY 148 N -0.60 -0.55 3.73 7.32 0.00 -0.54 -4.53 105.19 110.02 3kaf n GLY 148 Ca 0.08 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 43.99 3kaf n GLY 148 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3kaf s PRO 149 N -0.83 4.23 0.01 1.61 0.02 -1.26 -4.54 135.00 134.25 3kaf s PRO 149 Ca 0.00 2.35 0.05 0.00 0.02 0.00 0.00 61.00 63.42 3kaf s PRO 149 Cb 0.00 -3.13 -0.02 0.00 0.02 0.00 0.00 34.50 31.38 3kaf s PRO 149 CO 0.00 -0.53 -0.15 0.08 -0.33 0.00 0.00 177.00 176.07 3kaf s VAL 150 N 0.57 1.20 -0.11 3.83 1.01 -0.66 -4.72 120.40 121.53 3kaf s VAL 150 Ca 0.65 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.82 3kaf s VAL 150 Cb -0.43 -1.04 -0.01 0.00 0.00 0.00 0.00 36.38 34.90 3kaf s VAL 150 CO 0.38 0.19 -0.19 -0.36 0.00 0.00 0.00 175.10 175.12 3kaf s PHE 151 N -0.59 2.67 0.30 5.22 0.40 -1.26 0.15 117.98 124.87 3kaf s PHE 151 Ca 0.04 -0.79 0.05 0.00 -0.60 0.00 0.00 56.93 55.64 3kaf s PHE 151 Cb -0.07 -1.75 -0.03 0.00 0.51 0.00 0.00 43.02 41.67 3kaf s PHE 151 CO 0.00 -0.27 0.24 0.95 0.70 0.00 0.00 175.22 176.84 3kaf s THR 152 N 0.24 0.00 -1.24 0.64 -4.23 -0.96 -4.77 115.64 105.32 3kaf s THR 152 Ca -0.12 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.50 3kaf s THR 152 Cb -0.16 -2.50 0.15 0.00 1.34 0.00 0.00 72.50 71.33 3kaf s THR 152 CO 0.07 0.00 1.30 0.47 -0.54 0.00 0.00 174.62 175.91 3kaf n ASP 153 N -1.24 0.00 0.14 3.99 8.00 -1.26 -2.32 116.55 123.86 3kaf n ASP 153 Ca 0.06 0.29 0.10 0.00 0.71 0.00 0.00 54.79 55.96 3kaf n ASP 153 Cb 0.63 -0.38 0.05 0.00 -0.02 0.00 0.00 41.12 41.40 3kaf n ASP 153 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3kaf h SER 154 N 0.00 0.00 0.00 -2.24 0.02 -1.93 0.41 113.55 109.81 3kaf h SER 154 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3kaf h SER 154 Cb 0.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.68 3kaf h SER 154 CO 0.00 0.07 0.00 0.61 -1.14 0.00 0.00 176.83 176.37 3kaf n GLY 155 N 1.17 0.19 3.12 -3.77 0.00 -0.98 -4.44 105.19 100.48 3kaf n GLY 155 Ca 0.01 -1.27 -0.31 0.00 0.00 0.00 0.00 46.02 44.45 3kaf n GLY 155 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kaf s ILE 156 N -3.83 1.86 0.22 -0.61 1.01 -0.70 -2.28 121.20 116.87 3kaf s ILE 156 Ca 0.00 -0.85 -0.02 0.00 0.00 0.00 0.00 60.65 59.77 3kaf s ILE 156 Cb 0.00 -1.66 -0.05 0.00 0.01 0.00 0.00 42.46 40.76 3kaf s ILE 156 CO 0.00 0.51 0.43 -1.00 0.00 0.00 0.00 174.94 174.88 3kaf s HIS 157 N 0.92 3.48 -0.16 3.97 3.76 0.12 -1.93 115.29 125.45 3kaf s HIS 157 Ca -0.06 0.44 0.01 0.00 -0.15 0.00 0.00 55.06 55.30 3kaf s HIS 157 Cb -0.15 -1.93 0.01 0.00 1.11 0.00 0.00 32.58 31.61 3kaf s HIS 157 CO -0.03 0.33 -0.17 0.42 -0.85 0.00 0.00 174.74 174.44 3kaf s ILE 158 N -1.91 2.40 -0.10 0.60 1.01 -0.10 -1.66 121.20 121.45 3kaf s ILE 158 Ca 0.40 -0.85 -0.00 0.00 0.00 0.00 0.00 60.65 60.20 3kaf s ILE 158 Cb -0.11 -2.01 -0.02 0.00 0.01 0.00 0.00 42.46 40.33 3kaf s ILE 158 CO 0.29 0.52 -0.09 -0.63 0.00 0.00 0.00 174.94 175.03 3kaf s ILE 159 N 0.97 3.43 -0.17 2.92 1.01 -1.26 -1.16 121.20 126.94 3kaf s ILE 159 Ca -0.03 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 60.08 3kaf s ILE 159 Cb -0.15 -2.43 0.03 0.00 0.01 0.00 0.00 42.46 39.92 3kaf s ILE 159 CO -0.04 0.55 -0.15 -0.22 0.00 0.00 0.00 174.94 175.08 3kaf s LEU 160 N -0.16 2.01 -0.30 2.97 2.96 0.69 -0.64 118.68 126.21 3kaf s LEU 160 Ca 0.01 -0.66 -0.26 0.00 -0.22 0.00 0.00 54.13 53.00 3kaf s LEU 160 Cb -0.13 -1.29 0.01 0.00 0.50 0.00 0.00 46.19 45.28 3kaf s LEU 160 CO 0.03 -0.07 0.94 -0.60 -1.32 0.00 0.00 176.35 175.33 3kaf s ARG 161 N 1.40 4.06 -0.05 1.98 3.52 -0.92 -0.36 118.95 128.57 3kaf s ARG 161 Ca 0.03 0.91 0.19 0.00 -0.13 0.00 0.00 55.73 56.73 3kaf s ARG 161 Cb -0.14 -3.71 -0.24 0.00 -1.56 0.00 0.00 34.95 29.30 3kaf s ARG 161 CO -0.11 -0.75 0.46 0.25 -0.81 0.00 0.00 175.30 174.35 3kaf n THR 162 N 5.62 0.82 -1.71 4.11 -2.24 0.12 0.85 114.28 121.85 3kaf n THR 162 Ca 0.08 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 3kaf n THR 162 Cb 0.47 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 3kaf n THR 162 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88