#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibm s PHE 6 N 0.00 1.42 0.31 2.11 2.99 -1.26 -4.46 117.98 119.09 1ibm s PHE 6 Ca 0.00 0.11 0.02 0.00 0.00 0.00 0.00 56.93 57.06 1ibm s PHE 6 Cb 0.00 -4.07 -0.03 0.00 0.00 0.00 0.00 43.02 38.92 1ibm s PHE 6 CO 0.00 -4.48 0.48 -2.00 -0.00 0.00 0.00 175.22 169.22 1ibm s GLU 7 N 5.16 3.47 -0.21 0.44 2.12 0.23 -4.86 118.70 125.03 1ibm s GLU 7 Ca 0.89 -0.48 -0.03 0.00 0.36 0.00 0.00 54.97 55.71 1ibm s GLU 7 Cb -0.35 -2.74 0.07 0.00 0.26 0.00 0.00 34.13 31.36 1ibm s GLU 7 CO 0.36 0.25 0.05 -1.83 -0.54 0.00 0.00 175.26 173.56 1ibm s GLU 8 N -4.17 0.59 -0.13 4.30 -1.05 -1.26 -1.29 118.70 115.69 1ibm s GLU 8 Ca 0.38 -0.49 -0.18 0.00 -0.15 0.00 0.00 54.97 54.53 1ibm s GLU 8 Cb -0.09 -2.02 -0.04 0.00 -0.44 0.00 0.00 34.13 31.54 1ibm s GLU 8 CO 0.33 -0.71 0.47 0.21 0.95 0.00 0.00 175.26 176.51 1ibm s LYS 9 N 1.86 4.32 -0.49 -4.83 2.20 0.22 -4.92 119.74 118.10 1ibm s LYS 9 Ca 0.01 0.42 -0.18 0.00 -0.36 0.00 0.00 55.97 55.87 1ibm s LYS 9 Cb -0.17 -3.45 0.06 0.00 -1.51 0.00 0.00 37.83 32.76 1ibm s LYS 9 CO -0.12 0.12 0.53 1.41 -0.36 0.00 0.00 175.35 176.93 1ibm s MET 10 N 0.76 3.07 0.00 4.03 -2.45 -1.26 -0.46 119.30 122.99 1ibm s MET 10 Ca 0.25 -1.05 0.00 0.00 -1.25 0.00 0.00 55.69 53.64 1ibm s MET 10 Cb -0.15 -4.10 0.00 0.00 1.25 0.00 0.00 34.83 31.83 1ibm s MET 10 CO 0.10 -1.14 0.61 -0.89 1.05 0.00 0.00 175.02 174.75 1ibm n ILE 11 N 5.46 0.00 -3.89 10.11 2.08 0.74 -4.91 119.36 128.95 1ibm n ILE 11 Ca -0.09 1.11 -0.10 0.00 0.56 0.00 0.00 62.75 64.23 1ibm n ILE 11 Cb 0.45 -1.91 -0.09 0.00 -0.75 0.00 0.00 39.64 37.34 1ibm n ILE 11 CO 0.00 0.00 0.00 -1.48 0.56 0.00 0.00 176.55 175.63 1ibm s LEU 12 N -2.13 1.60 -0.09 1.39 -0.00 -1.20 -4.95 118.68 113.31 1ibm s LEU 12 Ca 0.00 -0.42 -0.00 0.00 -0.00 0.00 0.00 54.13 53.70 1ibm s LEU 12 Cb 0.00 0.74 0.02 0.00 -0.00 0.00 0.00 46.19 46.96 1ibm s LEU 12 CO 0.00 -0.51 -0.05 0.27 -0.00 0.00 0.00 176.35 176.07 1ibm s ILE 13 N -2.41 0.76 0.22 1.48 -4.36 -1.26 0.45 121.20 116.09 1ibm s ILE 13 Ca -0.06 -0.14 0.11 0.00 -0.26 0.00 0.00 60.65 60.29 1ibm s ILE 13 Cb -0.02 -0.82 -0.05 0.00 1.25 0.00 0.00 42.46 42.82 1ibm s ILE 13 CO -0.03 0.32 -0.17 0.00 0.24 0.00 0.00 174.94 175.29 1ibm s ARG 14 N 1.67 1.76 0.00 0.37 1.70 0.17 -4.96 118.95 119.65 1ibm s ARG 14 Ca 0.02 -1.53 0.00 0.00 -0.47 0.00 0.00 55.73 53.76 1ibm s ARG 14 Cb -0.13 -1.92 0.00 0.00 -0.57 0.00 0.00 34.95 32.33 1ibm s ARG 14 CO -0.06 0.38 0.03 -2.13 -1.08 0.00 0.00 175.30 172.45 1ibm n ARG 15 N -0.15 0.00 0.00 3.89 0.63 -1.26 -1.60 116.66 118.16 1ibm n ARG 15 Ca -0.09 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.84 1ibm n ARG 15 Cb 0.57 -0.28 0.00 0.00 0.45 0.00 0.00 32.46 33.20 1ibm n ARG 15 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 1ibm n THR 16 N -0.07 -0.43 -4.62 5.15 5.66 -1.25 -3.66 114.28 115.06 1ibm n THR 16 Ca 0.00 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.71 1ibm n THR 16 Cb 0.00 -0.02 -0.08 0.00 -1.55 0.00 0.00 70.33 68.68 1ibm n THR 16 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ibm s ALA 17 N -1.38 3.46 0.01 1.79 0.00 -1.26 -2.43 121.76 121.95 1ibm s ALA 17 Ca 0.00 -0.80 -0.28 0.00 0.00 0.00 0.00 51.96 50.88 1ibm s ALA 17 Cb 0.00 0.48 0.07 0.00 0.00 0.00 0.00 23.12 23.67 1ibm s ALA 17 CO 0.00 -0.22 0.68 0.50 0.00 0.00 0.00 175.76 176.73 1ibm s ARG 18 N -3.75 1.09 0.05 0.00 3.52 -1.14 -4.92 118.95 113.80 1ibm s ARG 18 Ca 0.15 0.00 0.05 0.00 -0.13 0.00 0.00 55.73 55.80 1ibm s ARG 18 Cb 0.01 0.51 -0.04 0.00 -1.56 0.00 0.00 34.95 33.88 1ibm s ARG 18 CO 0.10 -0.39 -0.08 -1.64 -0.81 0.00 0.00 175.30 172.48 1ibm s MET 19 N -2.07 2.38 -0.04 5.12 -1.94 -1.26 0.66 119.30 122.16 1ibm s MET 19 Ca -0.06 -0.85 -0.09 0.00 -1.71 0.00 0.00 55.69 52.98 1ibm s MET 19 Cb -0.00 -2.42 0.01 0.00 2.01 0.00 0.00 34.83 34.43 1ibm s MET 19 CO 0.01 0.56 0.21 -0.65 -0.01 0.00 0.00 175.02 175.14 1ibm s GLN 20 N -1.78 0.43 0.60 2.03 -1.52 0.94 -4.90 119.66 115.45 1ibm s GLN 20 Ca 0.19 -0.05 -0.18 0.00 -1.95 0.00 0.00 55.36 53.37 1ibm s GLN 20 Cb -0.11 0.19 -0.09 0.00 -0.22 0.00 0.00 33.01 32.78 1ibm s GLN 20 CO 0.11 -0.09 0.43 0.00 -0.25 0.00 0.00 175.29 175.49 1ibm n ALA 21 N 2.06 -1.48 0.00 6.09 0.00 -1.26 0.10 120.51 126.02 1ibm n ALA 21 Ca -0.18 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1ibm n ALA 21 Cb 0.57 -1.78 0.00 0.00 0.00 0.00 0.00 19.45 18.24 1ibm n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ibm n GLY 22 N 1.87 1.96 0.00 0.00 0.00 -1.26 -4.94 105.19 102.82 1ibm n GLY 22 Ca 0.11 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1ibm n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ibm n GLY 23 N 0.00 0.43 3.78 -0.02 0.00 0.29 -5.13 105.19 104.54 1ibm n GLY 23 Ca 0.00 -0.79 -0.39 0.00 0.00 0.00 0.00 46.02 44.84 1ibm n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ibm s ARG 24 N -1.81 4.34 -0.42 1.61 0.52 -1.26 -0.04 118.95 121.88 1ibm s ARG 24 Ca 0.00 0.85 0.04 0.00 -0.52 0.00 0.00 55.73 56.09 1ibm s ARG 24 Cb 0.00 -3.29 0.11 0.00 0.52 0.00 0.00 34.95 32.29 1ibm s ARG 24 CO 0.00 0.50 0.15 1.03 0.02 0.00 0.00 175.30 177.00 1ibm s ARG 25 N -0.70 1.64 0.73 3.54 1.81 0.21 -4.92 118.95 121.25 1ibm s ARG 25 Ca 0.32 -2.15 -0.14 0.00 -1.72 0.00 0.00 55.73 52.04 1ibm s ARG 25 Cb -0.20 -3.15 0.04 0.00 -0.45 0.00 0.00 34.95 31.19 1ibm s ARG 25 CO 0.20 -1.02 1.16 -0.06 -0.68 0.00 0.00 175.30 174.89 1ibm s PHE 26 N 0.42 2.26 0.27 -0.53 2.99 -1.26 -2.86 117.98 119.26 1ibm s PHE 26 Ca 0.14 1.60 -0.11 0.00 0.00 0.00 0.00 56.93 58.56 1ibm s PHE 26 Cb -0.22 -3.31 -0.00 0.00 0.00 0.00 0.00 43.02 39.48 1ibm s PHE 26 CO -0.05 -2.23 0.47 0.50 -0.00 0.00 0.00 175.22 173.92 1ibm s ARG 27 N -4.13 1.62 0.08 0.44 3.52 -1.02 -4.90 118.95 114.56 1ibm s ARG 27 Ca 0.70 -1.37 0.04 0.00 -0.13 0.00 0.00 55.73 54.97 1ibm s ARG 27 Cb -0.24 0.46 -0.03 0.00 -1.56 0.00 0.00 34.95 33.58 1ibm s ARG 27 CO 0.46 -0.67 -0.12 -0.06 -0.81 0.00 0.00 175.30 174.09 1ibm s PHE 28 N -3.78 1.12 -0.01 5.12 0.40 -0.84 -3.97 117.98 116.02 1ibm s PHE 28 Ca 0.24 -0.53 0.03 0.00 -0.60 0.00 0.00 56.93 56.08 1ibm s PHE 28 Cb -0.00 -0.62 -0.01 0.00 0.51 0.00 0.00 43.02 42.90 1ibm s PHE 28 CO 0.11 0.03 -0.10 0.20 0.70 0.00 0.00 175.22 176.17 1ibm s GLY 29 N -1.98 0.47 -0.01 4.36 0.00 -0.63 -0.97 107.32 108.56 1ibm s GLY 29 Ca -0.00 -0.40 0.02 0.00 0.00 0.00 0.00 44.72 44.33 1ibm s GLY 29 CO 0.02 -0.32 -0.05 0.00 0.00 0.00 0.00 173.10 172.75 1ibm s ALA 30 N -0.18 0.48 -0.19 3.20 0.00 -0.69 -0.66 121.76 123.73 1ibm s ALA 30 Ca 0.03 -0.17 -0.07 0.00 0.00 0.00 0.00 51.96 51.75 1ibm s ALA 30 Cb -0.04 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 1ibm s ALA 30 CO -0.00 0.08 0.05 -0.51 0.00 0.00 0.00 175.76 175.37 1ibm s LEU 31 N 0.14 3.69 -0.03 0.00 1.43 0.17 -1.81 118.68 122.28 1ibm s LEU 31 Ca -0.01 0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.13 1ibm s LEU 31 Cb -0.05 -1.93 0.01 0.00 0.03 0.00 0.00 46.19 44.24 1ibm s LEU 31 CO -0.00 0.15 -0.07 -0.69 0.23 0.00 0.00 176.35 175.97 1ibm s VAL 32 N 0.50 0.65 -0.13 -1.59 1.01 0.28 -0.18 120.40 120.94 1ibm s VAL 32 Ca 0.02 -0.28 -0.00 0.00 0.00 0.00 0.00 61.98 61.72 1ibm s VAL 32 Cb -0.13 -0.60 -0.02 0.00 0.00 0.00 0.00 36.38 35.64 1ibm s VAL 32 CO 0.01 0.22 -0.12 -0.69 0.00 0.00 0.00 175.10 174.52 1ibm s VAL 33 N 0.30 3.13 -0.07 2.92 1.01 0.40 0.14 120.40 128.22 1ibm s VAL 33 Ca -0.04 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.32 1ibm s VAL 33 Cb -0.09 -2.32 0.02 0.00 0.00 0.00 0.00 36.38 33.99 1ibm s VAL 33 CO 0.00 0.52 -0.11 -0.69 0.00 0.00 0.00 175.10 174.83 1ibm s VAL 34 N 0.35 1.05 0.22 2.92 1.01 0.78 -0.61 120.40 126.12 1ibm s VAL 34 Ca -0.10 -0.41 -0.10 0.00 0.00 0.00 0.00 61.98 61.37 1ibm s VAL 34 Cb -0.16 -0.99 -0.01 0.00 0.00 0.00 0.00 36.38 35.23 1ibm s VAL 34 CO 0.05 0.34 0.39 -0.83 0.00 0.00 0.00 175.10 175.05 1ibm s GLY 35 N 0.87 0.67 -0.01 4.51 0.00 -0.41 0.12 107.32 113.07 1ibm s GLY 35 Ca -0.11 -1.01 0.14 0.00 0.00 0.00 0.00 44.72 43.74 1ibm s GLY 35 CO 0.01 -0.79 0.51 2.09 0.00 0.00 0.00 173.10 174.93 1ibm n ASP 36 N -0.34 0.97 0.00 1.64 5.68 -0.57 0.74 116.55 124.67 1ibm n ASP 36 Ca -0.02 -0.58 0.00 0.00 -0.50 0.00 0.00 54.79 53.69 1ibm n ASP 36 Cb 0.63 1.20 0.00 0.00 -1.14 0.00 0.00 41.12 41.80 1ibm n ASP 36 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1ibm n ARG 37 N -1.53 0.00 0.00 0.11 1.74 -1.05 -4.89 116.66 111.05 1ibm n ARG 37 Ca 0.01 0.20 0.00 0.00 -0.77 0.00 0.00 57.85 57.29 1ibm n ARG 37 Cb 0.26 -3.15 0.00 0.00 -1.02 0.00 0.00 32.46 28.55 1ibm n ARG 37 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1ibm n GLN 38 N -2.92 0.00 -0.05 5.56 3.00 -1.26 -4.14 117.38 117.57 1ibm n GLN 38 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.00 1ibm n GLN 38 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 30.24 30.25 1ibm n GLN 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1ibm n GLY 39 N 4.03 0.01 3.31 1.08 0.00 -1.26 -4.14 105.19 108.23 1ibm n GLY 39 Ca 0.00 -0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 1ibm n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ibm s ARG 40 N -0.56 3.38 0.02 1.61 0.52 -1.26 0.83 118.95 123.50 1ibm s ARG 40 Ca 0.02 -0.62 0.01 0.00 -0.52 0.00 0.00 55.73 54.62 1ibm s ARG 40 Cb 0.02 -3.01 -0.02 0.00 0.52 0.00 0.00 34.95 32.46 1ibm s ARG 40 CO 0.00 -0.19 -0.05 0.08 0.02 0.00 0.00 175.30 175.16 1ibm s VAL 41 N 1.47 0.28 0.01 3.52 1.01 -0.95 -1.52 120.40 124.22 1ibm s VAL 41 Ca 0.06 -0.80 -0.07 0.00 0.00 0.00 0.00 61.98 61.17 1ibm s VAL 41 Cb -0.14 -0.37 -0.00 0.00 0.00 0.00 0.00 36.38 35.87 1ibm s VAL 41 CO -0.03 -0.34 0.12 -0.83 0.00 0.00 0.00 175.10 174.02 1ibm s GLY 42 N -1.21 0.07 -0.08 4.51 0.00 0.31 0.41 107.32 111.33 1ibm s GLY 42 Ca -0.10 -0.18 0.05 0.00 0.00 0.00 0.00 44.72 44.48 1ibm s GLY 42 CO -0.00 -0.32 -0.24 -2.27 0.00 0.00 0.00 173.10 170.27 1ibm s LEU 43 N -1.41 2.13 -0.01 0.66 0.20 -1.21 -0.16 118.68 118.88 1ibm s LEU 43 Ca -0.15 -0.52 0.03 0.00 0.69 0.00 0.00 54.13 54.19 1ibm s LEU 43 Cb -0.08 -1.41 -0.01 0.00 -0.43 0.00 0.00 46.19 44.27 1ibm s LEU 43 CO 0.01 0.20 -0.11 -0.83 -0.29 0.00 0.00 176.35 175.34 1ibm s GLY 44 N 0.10 0.52 -0.21 7.98 0.00 0.36 -4.23 107.32 111.85 1ibm s GLY 44 Ca -0.11 -0.47 -0.01 0.00 0.00 0.00 0.00 44.72 44.12 1ibm s GLY 44 CO 0.06 -0.39 0.00 -0.12 0.00 0.00 0.00 173.10 172.65 1ibm s PHE 45 N -0.28 1.54 -0.02 1.90 5.36 -1.25 0.10 117.98 125.33 1ibm s PHE 45 Ca 0.04 -1.20 0.05 0.00 -0.96 0.00 0.00 56.93 54.86 1ibm s PHE 45 Cb -0.04 -1.24 -0.01 0.00 -0.34 0.00 0.00 43.02 41.39 1ibm s PHE 45 CO -0.00 -0.67 -0.18 0.20 -1.46 0.00 0.00 175.22 173.10 1ibm s GLY 46 N 1.68 0.93 0.05 13.12 0.00 -0.75 -4.86 107.32 117.49 1ibm s GLY 46 Ca -0.03 -0.78 0.04 0.00 0.00 0.00 0.00 44.72 43.96 1ibm s GLY 46 CO -0.07 -0.57 -0.06 0.54 0.00 0.00 0.00 173.10 172.93 1ibm s LYS 47 N -0.28 2.45 -0.24 2.90 3.01 -1.26 -1.71 119.74 124.61 1ibm s LYS 47 Ca 0.04 -0.82 -0.30 0.00 -1.01 0.00 0.00 55.97 53.88 1ibm s LYS 47 Cb -0.09 -2.47 0.17 0.00 -1.01 0.00 0.00 37.83 34.44 1ibm s LYS 47 CO 0.00 0.57 1.25 0.00 0.51 0.00 0.00 175.35 177.68 1ibm s ALA 48 N -1.12 -2.07 0.30 5.17 0.00 -0.14 -4.83 121.76 119.07 1ibm s ALA 48 Ca 0.20 1.79 0.07 0.00 0.00 0.00 0.00 51.96 54.02 1ibm s ALA 48 Cb -0.11 -1.19 0.86 0.00 0.00 0.00 0.00 23.12 22.68 1ibm s ALA 48 CO 0.11 -0.29 1.45 -0.35 0.00 0.00 0.00 175.76 176.69 1ibm n PRO 49 N 0.53 -0.07 -4.91 0.00 -0.04 -1.26 -1.99 135.00 127.26 1ibm n PRO 49 Ca -0.03 1.36 -0.33 0.00 -0.04 0.00 0.00 63.50 64.46 1ibm n PRO 49 Cb 0.59 -2.23 -0.13 0.00 -0.04 0.00 0.00 33.50 31.68 1ibm n PRO 49 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1ibm s GLU 50 N -5.77 2.59 0.05 0.54 -1.05 -1.26 -4.51 118.70 109.30 1ibm s GLU 50 Ca -0.11 -0.71 -0.10 0.00 -0.15 0.00 0.00 54.97 53.89 1ibm s GLU 50 Cb 0.28 -2.39 -0.03 0.00 -0.44 0.00 0.00 34.13 31.56 1ibm s GLU 50 CO 0.72 0.56 1.18 0.28 0.95 0.00 0.00 175.26 178.95 1ibm h VAL 51 N 4.50 0.00 -0.38 1.83 2.07 -1.95 -2.04 116.25 120.28 1ibm h VAL 51 Ca -0.43 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.12 1ibm h VAL 51 Cb 1.16 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.88 1ibm h VAL 51 CO 0.51 0.00 -0.23 -2.65 0.02 0.00 0.00 177.57 175.22 1ibm n PRO 52 N -3.68 -0.17 -0.28 1.57 -0.02 -1.26 -0.25 135.00 130.91 1ibm n PRO 52 Ca 0.00 1.06 0.10 0.00 -2.02 0.00 0.00 63.50 62.64 1ibm n PRO 52 Cb 0.09 -1.57 0.24 0.00 -0.02 0.00 0.00 33.50 32.24 1ibm n PRO 52 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1ibm h LEU 53 N 0.00 -0.01 -0.24 2.45 6.46 -1.84 -0.09 115.31 122.04 1ibm h LEU 53 Ca 0.06 0.18 -0.00 0.00 -0.12 0.00 0.00 57.88 58.00 1ibm h LEU 53 Cb 0.16 0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.32 1ibm h LEU 53 CO -0.36 -0.11 0.15 0.00 -0.62 0.00 0.00 178.44 177.50 1ibm h ALA 54 N 1.72 0.30 -0.93 1.25 0.00 0.09 0.23 119.26 121.93 1ibm h ALA 54 Ca 0.50 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.42 1ibm h ALA 54 Cb 0.94 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.57 1ibm h ALA 54 CO -0.60 -0.20 0.59 0.28 0.00 0.00 0.00 179.25 179.32 1ibm h VAL 55 N 0.30 1.09 0.92 0.00 2.07 0.34 0.43 116.25 121.40 1ibm h VAL 55 Ca 0.09 -0.38 -0.04 0.00 0.82 0.00 0.00 66.70 67.19 1ibm h VAL 55 Cb 0.01 -0.10 0.01 0.00 -1.52 0.00 0.00 31.29 29.68 1ibm h VAL 55 CO -0.02 0.20 -0.44 -0.61 0.02 0.00 0.00 177.57 176.72 1ibm h GLN 56 N 1.09 -1.18 -0.99 1.57 5.75 -0.18 -0.06 115.11 121.12 1ibm h GLN 56 Ca 0.40 0.08 0.25 0.00 -0.15 0.00 0.00 58.65 59.22 1ibm h GLN 56 Cb 0.13 0.27 -0.07 0.00 1.07 0.00 0.00 27.48 28.88 1ibm h GLN 56 CO -0.16 -0.79 0.66 -0.22 -2.65 0.00 0.00 178.83 175.66 1ibm h LYS 57 N -1.28 0.32 0.44 1.69 3.64 -0.13 -0.80 116.57 120.44 1ibm h LYS 57 Ca -0.13 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.21 1ibm h LYS 57 Cb 0.94 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 1ibm h LYS 57 CO 0.21 0.21 -0.21 0.00 -2.27 0.00 0.00 179.45 177.38 1ibm h ALA 58 N 1.59 -1.03 -0.86 5.00 0.00 0.50 -1.48 119.26 122.98 1ibm h ALA 58 Ca 0.53 -0.13 0.22 0.00 0.00 0.00 0.00 54.91 55.53 1ibm h ALA 58 Cb 1.46 0.23 -0.14 0.00 0.00 0.00 0.00 17.79 19.34 1ibm h ALA 58 CO -0.19 -0.98 0.23 0.78 0.00 0.00 0.00 179.25 179.08 1ibm h GLY 59 N -0.66 1.31 0.00 0.00 0.00 -0.35 0.21 103.07 103.58 1ibm h GLY 59 Ca -0.06 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1ibm h GLY 59 CO 0.10 -0.34 0.00 2.98 0.00 0.00 0.00 176.54 179.28 1ibm n TYR 60 N -5.21 0.00 -0.40 5.60 9.36 -0.37 0.24 117.16 126.38 1ibm n TYR 60 Ca 0.20 0.00 0.33 0.00 3.32 0.00 0.00 57.90 61.75 1ibm n TYR 60 Cb 0.65 -0.36 0.63 0.00 -0.63 0.00 0.00 39.34 39.62 1ibm n TYR 60 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 1ibm h TYR 61 N 0.00 0.46 0.39 2.98 0.05 -0.09 0.11 116.97 120.87 1ibm h TYR 61 Ca 0.00 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.78 1ibm h TYR 61 Cb 0.00 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 37.62 1ibm h TYR 61 CO -0.28 -0.08 -0.19 0.00 -1.05 0.00 0.00 178.16 176.56 1ibm h ALA 62 N 1.54 -0.52 0.00 3.88 0.00 0.60 -2.78 119.26 121.97 1ibm h ALA 62 Ca 0.72 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.44 1ibm h ALA 62 Cb 2.25 0.20 0.00 0.00 0.00 0.00 0.00 17.79 20.25 1ibm h ALA 62 CO -0.30 -0.60 0.08 -2.13 0.00 0.00 0.00 179.25 176.30 1ibm n ARG 63 N -5.17 0.00 -0.22 0.00 0.63 0.14 0.81 116.66 112.85 1ibm n ARG 63 Ca -0.10 0.26 0.06 0.00 -0.92 0.00 0.00 57.85 57.16 1ibm n ARG 63 Cb 0.28 -1.58 0.16 0.00 0.45 0.00 0.00 32.46 31.77 1ibm n ARG 63 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1ibm n ARG 64 N -1.23 2.77 -3.19 -0.14 1.74 -0.99 -4.66 116.66 110.96 1ibm n ARG 64 Ca 0.00 -2.26 -0.22 0.00 -0.77 0.00 0.00 57.85 54.59 1ibm n ARG 64 Cb 0.08 -1.43 -0.06 0.00 -1.02 0.00 0.00 32.46 30.03 1ibm n ARG 64 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1ibm n ASN 65 N -0.13 0.40 -4.87 0.55 5.15 0.24 -5.05 115.26 111.54 1ibm n ASN 65 Ca 0.13 -2.79 -0.33 0.00 -0.60 0.00 0.00 54.58 50.99 1ibm n ASN 65 Cb 0.57 -0.63 -0.05 0.00 -0.53 0.00 0.00 39.78 39.13 1ibm n ASN 65 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 1ibm s MET 66 N -1.57 3.82 -0.04 1.20 -1.94 -1.26 -3.36 119.30 116.16 1ibm s MET 66 Ca 0.37 0.28 0.04 0.00 -1.71 0.00 0.00 55.69 54.66 1ibm s MET 66 Cb 0.22 -2.77 -0.00 0.00 2.01 0.00 0.00 34.83 34.29 1ibm s MET 66 CO -0.10 0.40 -0.17 0.08 -0.01 0.00 0.00 175.02 175.22 1ibm s VAL 67 N -1.67 1.38 -0.47 -6.03 1.01 0.17 -4.95 120.40 109.83 1ibm s VAL 67 Ca 0.43 -0.70 -0.21 0.00 0.00 0.00 0.00 61.98 61.50 1ibm s VAL 67 Cb -0.12 -1.18 0.04 0.00 0.00 0.00 0.00 36.38 35.11 1ibm s VAL 67 CO 0.21 0.40 0.70 -0.70 0.00 0.00 0.00 175.10 175.71 1ibm s GLU 68 N -0.02 3.26 -0.42 2.72 2.56 -1.25 -2.24 118.70 123.30 1ibm s GLU 68 Ca -0.02 -0.46 -0.24 0.00 0.00 0.00 0.00 54.97 54.25 1ibm s GLU 68 Cb -0.11 -4.00 0.02 0.00 2.00 0.00 0.00 34.13 32.04 1ibm s GLU 68 CO 0.02 -1.15 0.84 0.08 -0.56 0.00 0.00 175.26 174.48 1ibm s VAL 69 N 3.01 4.61 -0.69 3.70 1.01 0.24 -4.91 120.40 127.37 1ibm s VAL 69 Ca 0.23 0.70 -0.25 0.00 0.00 0.00 0.00 61.98 62.66 1ibm s VAL 69 Cb -0.15 -4.33 -0.20 0.00 0.00 0.00 0.00 36.38 31.70 1ibm s VAL 69 CO 0.18 -0.67 1.86 -2.65 0.00 0.00 0.00 175.10 173.82 1ibm n PRO 70 N 6.78 1.06 -2.09 2.72 -0.02 -1.26 -4.65 135.00 137.53 1ibm n PRO 70 Ca 0.04 -1.76 -0.42 0.00 -2.02 0.00 0.00 63.50 59.34 1ibm n PRO 70 Cb 0.48 -3.06 -0.03 0.00 -0.02 0.00 0.00 33.50 30.88 1ibm n PRO 70 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ibm s LEU 71 N 4.08 4.34 -0.77 2.45 1.43 -1.26 -4.27 118.68 124.67 1ibm s LEU 71 Ca 0.64 2.27 0.03 0.00 -1.03 0.00 0.00 54.13 56.04 1ibm s LEU 71 Cb 0.10 -3.56 0.27 0.00 0.03 0.00 0.00 46.19 43.03 1ibm s LEU 71 CO 0.18 -0.79 0.96 0.00 0.23 0.00 0.00 176.35 176.93 1ibm n GLN 72 N 5.50 3.11 -1.53 1.70 6.02 -0.61 -4.80 117.38 126.77 1ibm n GLN 72 Ca 0.14 -4.64 -0.00 0.00 -0.01 0.00 0.00 57.00 52.49 1ibm n GLN 72 Cb 0.42 -2.34 0.00 0.00 1.02 0.00 0.00 30.24 29.35 1ibm n GLN 72 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1ibm n ASN 73 N 1.02 -2.11 0.00 1.08 4.05 -1.26 -4.04 115.26 114.00 1ibm n ASN 73 Ca 0.29 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.32 1ibm n ASN 73 Cb 0.39 -1.09 0.00 0.00 1.23 0.00 0.00 39.78 40.31 1ibm n ASN 73 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1ibm n GLY 74 N -0.87 0.00 0.43 8.20 0.00 -1.26 -4.84 105.19 106.85 1ibm n GLY 74 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1ibm n GLY 74 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1ibm n THR 75 N -1.54 0.00 -4.05 2.61 5.66 -1.26 0.73 114.28 116.43 1ibm n THR 75 Ca 0.00 -0.28 -0.30 0.00 -3.05 0.00 0.00 64.05 60.42 1ibm n THR 75 Cb 0.00 0.06 -0.06 0.00 -1.55 0.00 0.00 70.33 68.78 1ibm n THR 75 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1ibm s ILE 76 N -1.25 4.53 -1.39 1.09 1.01 -1.26 -1.57 121.20 122.36 1ibm s ILE 76 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 59.83 1ibm s ILE 76 Cb 0.00 -3.20 0.00 0.00 0.01 0.00 0.00 42.46 39.27 1ibm s ILE 76 CO 0.00 0.08 0.36 -0.81 0.00 0.00 0.00 174.94 174.58 1ibm n PRO 77 N 0.31 0.52 0.00 2.79 -0.04 -1.26 -4.67 135.00 132.66 1ibm n PRO 77 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1ibm n PRO 77 Cb 0.52 -1.16 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 1ibm n PRO 77 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1ibm n HIS 78 N -0.05 0.00 -2.33 0.54 1.44 -1.26 -4.86 115.22 108.70 1ibm n HIS 78 Ca 0.00 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.39 1ibm n HIS 78 Cb 0.08 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.16 1ibm n HIS 78 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1ibm s GLU 79 N -2.01 3.87 -0.18 -1.40 8.01 -1.26 -4.61 118.70 121.12 1ibm s GLU 79 Ca 0.00 0.96 -0.19 0.00 0.01 0.00 0.00 54.97 55.75 1ibm s GLU 79 Cb 0.00 -2.12 0.05 0.00 -4.31 0.00 0.00 34.13 27.75 1ibm s GLU 79 CO 0.00 -0.34 0.53 0.96 0.01 0.00 0.00 175.26 176.42 1ibm s ILE 80 N -2.66 0.00 -0.13 -1.63 -5.25 -0.72 -5.00 121.20 105.82 1ibm s ILE 80 Ca 0.59 -0.03 0.01 0.00 -0.99 0.00 0.00 60.65 60.22 1ibm s ILE 80 Cb -0.10 -0.76 0.02 0.00 2.95 0.00 0.00 42.46 44.57 1ibm s ILE 80 CO 0.34 -0.02 -0.13 -1.61 -1.79 0.00 0.00 174.94 171.73 1ibm s GLU 81 N 0.06 2.09 0.09 0.37 2.02 -1.26 -0.36 118.70 121.71 1ibm s GLU 81 Ca -0.02 -0.49 0.10 0.00 0.02 0.00 0.00 54.97 54.59 1ibm s GLU 81 Cb -0.04 -1.91 -0.03 0.00 0.10 0.00 0.00 34.13 32.25 1ibm s GLU 81 CO 0.02 -0.18 -0.26 0.54 0.02 0.00 0.00 175.26 175.39 1ibm s VAL 82 N 1.36 2.17 -0.20 2.63 0.11 0.17 -4.94 120.40 121.70 1ibm s VAL 82 Ca 0.01 -1.59 -0.02 0.00 -2.93 0.00 0.00 61.98 57.45 1ibm s VAL 82 Cb -0.13 -1.89 0.00 0.00 -1.53 0.00 0.00 36.38 32.82 1ibm s VAL 82 CO -0.07 0.19 -0.11 -1.83 -3.33 0.00 0.00 175.10 169.95 1ibm s GLU 83 N -1.71 3.23 -0.26 1.54 -1.05 -1.26 0.12 118.70 119.31 1ibm s GLU 83 Ca 0.13 -0.71 0.01 0.00 -0.15 0.00 0.00 54.97 54.24 1ibm s GLU 83 Cb -0.10 -2.82 0.07 0.00 -0.44 0.00 0.00 34.13 30.85 1ibm s GLU 83 CO 0.04 -0.17 -0.00 0.12 0.95 0.00 0.00 175.26 176.20 1ibm s PHE 84 N 1.33 2.35 0.00 4.83 5.36 0.46 -4.97 117.98 127.34 1ibm s PHE 84 Ca 0.04 -1.86 0.00 0.00 -0.96 0.00 0.00 56.93 54.15 1ibm s PHE 84 Cb -0.14 -1.76 0.00 0.00 -0.34 0.00 0.00 43.02 40.78 1ibm s PHE 84 CO -0.06 -0.81 0.00 0.41 -1.46 0.00 0.00 175.22 173.30 1ibm n GLY 85 N 4.67 3.68 1.10 13.12 0.00 -1.26 -0.40 105.19 126.10 1ibm n GLY 85 Ca -0.08 -0.05 0.10 0.00 0.00 0.00 0.00 46.02 45.99 1ibm n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ibm n ALA 86 N 11.74 2.31 -2.84 4.61 0.00 -1.26 -4.92 120.51 130.14 1ibm n ALA 86 Ca 0.00 -1.25 -0.34 0.00 0.00 0.00 0.00 53.44 51.85 1ibm n ALA 86 Cb 0.00 -0.75 -0.10 0.00 0.00 0.00 0.00 19.45 18.60 1ibm n ALA 86 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1ibm s SER 87 N -1.00 5.44 -0.09 0.00 0.01 0.47 0.25 113.70 118.78 1ibm s SER 87 Ca 0.40 0.05 0.03 0.00 1.31 0.00 0.00 55.95 57.74 1ibm s SER 87 Cb 0.21 -1.90 0.01 0.00 0.21 0.00 0.00 66.02 64.54 1ibm s SER 87 CO 0.27 0.19 -0.20 -0.75 0.41 0.00 0.00 173.24 173.16 1ibm s LYS 88 N 0.27 2.58 -0.05 12.44 2.20 0.12 0.17 119.74 137.47 1ibm s LYS 88 Ca 0.02 -0.71 0.04 0.00 -0.36 0.00 0.00 55.97 54.96 1ibm s LYS 88 Cb -0.13 -2.00 -0.02 0.00 -1.51 0.00 0.00 37.83 34.17 1ibm s LYS 88 CO 0.01 0.11 -0.16 -1.50 -0.36 0.00 0.00 175.35 173.45 1ibm s ILE 89 N 0.49 2.87 -0.12 5.43 -1.16 0.12 0.16 121.20 128.99 1ibm s ILE 89 Ca -0.17 -0.79 0.02 0.00 -0.51 0.00 0.00 60.65 59.21 1ibm s ILE 89 Cb -0.17 -2.12 0.01 0.00 0.61 0.00 0.00 42.46 40.80 1ibm s ILE 89 CO 0.06 0.58 -0.18 -0.69 -2.81 0.00 0.00 174.94 171.91 1ibm s VAL 90 N -0.57 1.70 -0.09 4.00 1.01 -0.68 0.46 120.40 126.22 1ibm s VAL 90 Ca 0.08 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.33 1ibm s VAL 90 Cb -0.11 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.73 1ibm s VAL 90 CO 0.01 0.48 -0.22 -0.76 0.00 0.00 0.00 175.10 174.61 1ibm s LEU 91 N 0.95 2.02 -0.06 3.92 1.43 0.51 -1.31 118.68 126.14 1ibm s LEU 91 Ca -0.06 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 52.53 1ibm s LEU 91 Cb -0.15 -1.31 0.02 0.00 0.03 0.00 0.00 46.19 44.77 1ibm s LEU 91 CO -0.02 0.14 -0.07 -0.75 0.23 0.00 0.00 176.35 175.88 1ibm s LYS 92 N 0.39 1.15 0.53 1.70 2.20 0.95 -1.76 119.74 124.90 1ibm s LYS 92 Ca -0.18 -0.20 -0.21 0.00 -0.36 0.00 0.00 55.97 55.02 1ibm s LYS 92 Cb -0.18 -1.10 -0.06 0.00 -1.51 0.00 0.00 37.83 34.99 1ibm s LYS 92 CO 0.08 -0.08 1.17 -1.25 -0.36 0.00 0.00 175.35 174.91 1ibm s PRO 93 N 0.99 3.39 0.03 4.03 0.04 -1.26 0.41 135.00 142.64 1ibm s PRO 93 Ca -0.09 1.75 -0.01 0.00 0.04 0.00 0.00 61.00 62.68 1ibm s PRO 93 Cb -0.14 -2.13 -0.03 0.00 0.04 0.00 0.00 34.50 32.24 1ibm s PRO 93 CO 0.00 -0.85 -0.01 0.00 0.04 0.00 0.00 177.00 176.18 1ibm s ALA 94 N -1.63 0.23 0.95 8.56 0.00 -1.20 -4.74 121.76 123.93 1ibm s ALA 94 Ca 0.71 -0.81 -0.11 0.00 0.00 0.00 0.00 51.96 51.75 1ibm s ALA 94 Cb -0.28 0.21 0.16 0.00 0.00 0.00 0.00 23.12 23.22 1ibm s ALA 94 CO 0.32 -0.26 1.09 0.00 0.00 0.00 0.00 175.76 176.90 1ibm s ALA 95 N -2.56 1.11 0.50 0.00 0.00 -1.26 -4.76 121.76 114.79 1ibm s ALA 95 Ca -0.06 0.11 -0.22 0.00 0.00 0.00 0.00 51.96 51.79 1ibm s ALA 95 Cb -0.02 -3.27 -0.06 0.00 0.00 0.00 0.00 23.12 19.76 1ibm s ALA 95 CO -0.05 -2.76 1.26 -2.14 0.00 0.00 0.00 175.76 172.07 1ibm s PRO 96 N -4.75 3.49 0.00 0.00 0.02 -1.26 -3.05 135.00 129.44 1ibm s PRO 96 Ca 0.65 1.99 0.00 0.00 0.02 0.00 0.00 61.00 63.66 1ibm s PRO 96 Cb -0.21 -2.35 0.00 0.00 0.02 0.00 0.00 34.50 31.96 1ibm s PRO 96 CO 0.59 -0.84 0.00 0.41 -0.33 0.00 0.00 177.00 176.83 1ibm n GLY 97 N 0.57 0.82 0.11 0.52 0.00 -1.26 -4.91 105.19 101.04 1ibm n GLY 97 Ca 0.09 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.97 1ibm n GLY 97 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ibm h THR 98 N 0.00 1.41 0.00 2.61 2.02 -1.86 -3.50 112.91 113.59 1ibm h THR 98 Ca 0.00 -1.46 0.00 0.00 0.77 0.00 0.00 66.41 65.72 1ibm h THR 98 Cb 0.00 2.20 0.00 0.00 -1.74 0.00 0.00 68.15 68.61 1ibm h THR 98 CO 0.00 0.41 0.00 0.61 0.37 0.00 0.00 175.52 176.91 1ibm n GLY 99 N 0.45 -3.48 3.34 2.16 0.00 -1.25 -4.74 105.19 101.68 1ibm n GLY 99 Ca -0.08 -2.00 -0.46 0.00 0.00 0.00 0.00 46.02 43.48 1ibm n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ibm s VAL 100 N -0.76 5.43 -0.58 1.61 1.01 -1.25 -0.75 120.40 125.12 1ibm s VAL 100 Ca 0.00 -2.17 -0.22 0.00 0.00 0.00 0.00 61.98 59.59 1ibm s VAL 100 Cb 0.00 -4.48 0.06 0.00 0.00 0.00 0.00 36.38 31.96 1ibm s VAL 100 CO 0.00 -1.05 0.86 -0.63 0.00 0.00 0.00 175.10 174.28 1ibm s ILE 101 N 0.74 4.51 0.08 2.22 1.01 -0.70 -4.94 121.20 124.11 1ibm s ILE 101 Ca 0.17 -0.17 -0.26 0.00 0.00 0.00 0.00 60.65 60.39 1ibm s ILE 101 Cb -0.13 -4.53 0.09 0.00 0.01 0.00 0.00 42.46 37.90 1ibm s ILE 101 CO -0.06 -1.15 1.15 0.00 0.00 0.00 0.00 174.94 174.87 1ibm s ALA 102 N 3.61 -1.97 0.58 9.38 0.00 -1.26 -1.96 121.76 130.13 1ibm s ALA 102 Ca 0.23 0.07 -0.08 0.00 0.00 0.00 0.00 51.96 52.18 1ibm s ALA 102 Cb -0.16 0.68 -0.02 0.00 0.00 0.00 0.00 23.12 23.62 1ibm s ALA 102 CO 0.14 -1.08 0.93 0.20 0.00 0.00 0.00 175.76 175.95 1ibm s GLY 103 N -3.34 1.59 0.14 0.00 0.00 -1.26 -4.72 107.32 99.73 1ibm s GLY 103 Ca 0.20 -0.39 -0.23 0.00 0.00 0.00 0.00 44.72 44.30 1ibm s GLY 103 CO 0.01 -0.14 1.24 0.00 0.00 0.00 0.00 173.10 174.21 1ibm n ALA 104 N -2.59 -0.42 0.28 3.20 0.00 -1.26 -0.01 120.51 119.71 1ibm n ALA 104 Ca 0.04 0.71 -0.16 0.00 0.00 0.00 0.00 53.44 54.02 1ibm n ALA 104 Cb 0.56 -0.17 -0.08 0.00 0.00 0.00 0.00 19.45 19.76 1ibm n ALA 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ibm h VAL 105 N 0.00 0.46 -1.00 0.00 2.07 -1.97 0.37 116.25 116.18 1ibm h VAL 105 Ca 0.16 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.72 1ibm h VAL 105 Cb 0.36 0.46 -0.06 0.00 -1.52 0.00 0.00 31.29 30.53 1ibm h VAL 105 CO -0.76 0.00 0.65 -0.65 0.02 0.00 0.00 177.57 176.83 1ibm h PRO 106 N -0.70 1.22 0.00 1.57 0.11 -1.73 -2.91 132.00 129.56 1ibm h PRO 106 Ca -0.06 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.97 1ibm h PRO 106 Cb 0.55 -0.28 0.00 0.00 0.11 0.00 0.00 31.00 31.39 1ibm h PRO 106 CO 0.09 0.81 0.00 -2.13 -0.21 0.00 0.00 178.00 176.56 1ibm n ARG 107 N -4.45 0.00 -0.08 1.05 0.63 0.99 -0.50 116.66 114.30 1ibm n ARG 107 Ca 0.14 0.09 0.02 0.00 -0.92 0.00 0.00 57.85 57.17 1ibm n ARG 107 Cb 0.10 -1.08 0.04 0.00 0.45 0.00 0.00 32.46 31.97 1ibm n ARG 107 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ibm n ALA 108 N -0.74 0.06 0.04 5.13 0.00 0.12 0.24 120.51 125.37 1ibm n ALA 108 Ca 0.00 0.24 -0.13 0.00 0.00 0.00 0.00 53.44 53.55 1ibm n ALA 108 Cb 0.00 -0.15 -0.09 0.00 0.00 0.00 0.00 19.45 19.21 1ibm n ALA 108 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1ibm h ILE 109 N 0.00 1.13 -0.33 0.00 2.04 -1.47 -2.85 117.51 116.03 1ibm h ILE 109 Ca 0.11 -1.02 0.06 0.00 1.00 0.00 0.00 64.86 65.02 1ibm h ILE 109 Cb 0.18 1.76 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 1ibm h ILE 109 CO -0.22 0.24 0.23 -0.07 0.00 0.00 0.00 178.15 178.33 1ibm h LEU 110 N -0.62 0.14 0.34 1.44 3.38 0.58 -1.02 115.31 119.56 1ibm h LEU 110 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1ibm h LEU 110 Cb 0.49 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1ibm h LEU 110 CO 0.02 0.09 -0.16 -0.33 0.09 0.00 0.00 178.44 178.15 1ibm h GLU 111 N 0.16 -0.44 0.00 1.13 5.08 -0.58 -2.33 114.58 117.61 1ibm h GLU 111 Ca 0.15 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1ibm h GLU 111 Cb 0.39 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1ibm h GLU 111 CO -0.02 -0.29 0.00 1.28 -1.00 0.00 0.00 179.01 178.98 1ibm n LEU 112 N -4.39 0.00 0.22 1.33 4.77 -1.08 0.69 117.00 118.54 1ibm n LEU 112 Ca -0.06 0.01 0.10 0.00 -0.03 0.00 0.00 56.01 56.04 1ibm n LEU 112 Cb 0.18 -0.01 0.40 0.00 -2.33 0.00 0.00 43.42 41.66 1ibm n LEU 112 CO 0.14 -0.01 0.78 0.00 -1.33 0.00 0.00 177.39 176.97 1ibm h ALA 113 N 2.70 0.97 0.00 -1.18 0.00 -0.95 -2.77 119.26 118.03 1ibm h ALA 113 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1ibm h ALA 113 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1ibm h ALA 113 CO 0.00 0.26 0.00 0.41 0.00 0.00 0.00 179.25 179.92 1ibm n GLY 114 N 0.38 0.85 3.90 0.00 0.00 0.22 -4.02 105.19 106.51 1ibm n GLY 114 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 1ibm n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ibm s VAL 115 N -2.02 2.95 0.00 1.61 1.01 -0.90 -4.71 120.40 118.35 1ibm s VAL 115 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.10 1ibm s VAL 115 Cb 0.00 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.11 1ibm s VAL 115 CO 0.00 -0.33 0.02 1.07 0.00 0.00 0.00 175.10 175.86 1ibm n THR 116 N -2.97 0.00 -3.15 3.92 5.66 0.22 -4.63 114.28 113.33 1ibm n THR 116 Ca 0.07 0.00 0.04 0.00 -3.05 0.00 0.00 64.05 61.11 1ibm n THR 116 Cb 0.59 0.18 -0.00 0.00 -1.55 0.00 0.00 70.33 69.55 1ibm n THR 116 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1ibm s ASP 117 N 0.00 -1.53 0.17 1.09 1.01 -0.95 -3.82 116.67 112.64 1ibm s ASP 117 Ca 0.00 0.30 -0.14 0.00 0.71 0.00 0.00 52.55 53.42 1ibm s ASP 117 Cb 0.00 2.02 0.01 0.00 1.01 0.00 0.00 42.92 45.96 1ibm s ASP 117 CO 0.00 -0.28 0.41 -0.63 0.21 0.00 0.00 175.17 174.88 1ibm s ILE 118 N 2.84 0.05 -0.15 0.77 1.01 0.07 -3.23 121.20 122.56 1ibm s ILE 118 Ca 0.12 -0.99 0.02 0.00 0.00 0.00 0.00 60.65 59.80 1ibm s ILE 118 Cb -0.10 -1.61 0.02 0.00 0.01 0.00 0.00 42.46 40.77 1ibm s ILE 118 CO -0.25 -0.23 -0.20 -0.76 0.00 0.00 0.00 174.94 173.50 1ibm s LEU 119 N -2.90 2.06 0.24 2.97 1.43 0.17 -1.73 118.68 120.91 1ibm s LEU 119 Ca 0.11 -0.60 0.06 0.00 -1.03 0.00 0.00 54.13 52.67 1ibm s LEU 119 Cb 0.01 -1.41 -0.05 0.00 0.03 0.00 0.00 46.19 44.77 1ibm s LEU 119 CO -0.03 0.03 -0.07 0.42 0.23 0.00 0.00 176.35 176.93 1ibm s THR 120 N 1.07 1.47 -0.16 5.49 -4.23 -0.83 -0.04 115.64 118.41 1ibm s THR 120 Ca -0.01 -2.12 -0.08 0.00 -1.18 0.00 0.00 61.69 58.30 1ibm s THR 120 Cb -0.14 -2.26 0.06 0.00 1.34 0.00 0.00 72.50 71.49 1ibm s THR 120 CO -0.07 -0.42 0.39 -0.75 -0.54 0.00 0.00 174.62 173.22 1ibm s LYS 121 N -3.74 0.35 -0.33 3.99 2.47 -0.43 -4.79 119.74 117.26 1ibm s LYS 121 Ca 0.26 0.79 -0.19 0.00 -1.56 0.00 0.00 55.97 55.27 1ibm s LYS 121 Cb 0.03 0.01 -0.00 0.00 -1.46 0.00 0.00 37.83 36.41 1ibm s LYS 121 CO 0.09 -0.18 0.58 -1.21 0.16 0.00 0.00 175.35 174.79 1ibm s GLU 122 N 1.59 3.74 0.13 4.03 2.02 -1.26 -1.69 118.70 127.25 1ibm s GLU 122 Ca -0.08 0.05 0.09 0.00 0.02 0.00 0.00 54.97 55.05 1ibm s GLU 122 Cb -0.09 -3.78 -0.04 0.00 0.10 0.00 0.00 34.13 30.32 1ibm s GLU 122 CO -0.12 -0.63 -0.17 -0.51 0.02 0.00 0.00 175.26 173.85 1ibm s LEU 123 N 2.53 2.72 0.00 1.80 1.43 0.12 -4.99 118.68 122.30 1ibm s LEU 123 Ca 0.22 -0.58 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 1ibm s LEU 123 Cb -0.15 -1.54 0.00 0.00 0.03 0.00 0.00 46.19 44.53 1ibm s LEU 123 CO 0.13 0.16 0.00 0.61 0.23 0.00 0.00 176.35 177.49 1ibm n GLY 124 N 0.65 0.08 3.54 -3.19 0.00 -1.26 0.16 105.19 105.17 1ibm n GLY 124 Ca -0.15 -0.95 -0.47 0.00 0.00 0.00 0.00 46.02 44.46 1ibm n GLY 124 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ibm n SER 125 N -0.17 0.71 -1.14 1.61 2.88 0.69 -4.85 113.62 113.36 1ibm n SER 125 Ca 0.00 1.16 0.08 0.00 -1.33 0.00 0.00 58.87 58.78 1ibm n SER 125 Cb 0.00 -1.18 0.29 0.00 -0.75 0.00 0.00 64.21 62.57 1ibm n SER 125 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ibm n ARG 126 N 1.09 3.41 -1.74 -1.46 5.12 -1.26 -4.26 116.66 117.56 1ibm n ARG 126 Ca 0.13 -2.90 -0.41 0.00 -1.93 0.00 0.00 57.85 52.74 1ibm n ARG 126 Cb 0.28 -1.93 -0.03 0.00 -1.16 0.00 0.00 32.46 29.61 1ibm n ARG 126 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 1ibm s ASN 127 N -1.62 5.38 0.18 0.55 3.84 -1.26 -4.84 114.94 117.16 1ibm s ASN 127 Ca 0.45 1.45 -0.22 0.00 0.21 0.00 0.00 52.86 54.75 1ibm s ASN 127 Cb 0.35 -2.51 0.08 0.00 -0.55 0.00 0.00 41.25 38.62 1ibm s ASN 127 CO 0.11 -2.09 1.39 -0.81 -2.79 0.00 0.00 177.10 172.91 1ibm n PRO 128 N 8.75 -0.30 -0.33 0.43 -0.04 -1.26 0.78 135.00 143.03 1ibm n PRO 128 Ca 0.28 1.37 0.18 0.00 -0.04 0.00 0.00 63.50 65.29 1ibm n PRO 128 Cb 0.48 -2.03 0.42 0.00 -0.04 0.00 0.00 33.50 32.32 1ibm n PRO 128 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1ibm h ILE 129 N 0.00 0.62 0.00 0.52 2.04 -1.99 0.78 117.51 119.47 1ibm h ILE 129 Ca 0.23 -0.20 -0.18 0.00 1.00 0.00 0.00 64.86 65.71 1ibm h ILE 129 Cb 0.46 -0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.51 1ibm h ILE 129 CO -0.87 0.10 -0.92 0.78 0.00 0.00 0.00 178.15 177.24 1ibm h ASN 130 N 0.57 0.00 -0.34 1.72 2.35 -0.01 -2.84 115.58 117.04 1ibm h ASN 130 Ca 0.58 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 56.19 1ibm h ASN 130 Cb 1.17 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.54 1ibm h ASN 130 CO -0.34 0.83 -0.32 0.40 -1.65 0.00 0.00 177.43 176.35 1ibm h ILE 131 N 0.00 1.29 0.35 2.81 1.08 0.23 -1.62 117.51 121.65 1ibm h ILE 131 Ca -0.04 -1.49 -0.01 0.00 -0.39 0.00 0.00 64.86 62.93 1ibm h ILE 131 Cb 1.66 1.46 -0.02 0.00 -3.07 0.00 0.00 36.82 36.86 1ibm h ILE 131 CO 0.10 0.49 -0.37 0.00 -0.69 0.00 0.00 178.15 177.68 1ibm h ALA 132 N 0.75 -1.04 -0.84 1.87 0.00 0.39 0.41 119.26 120.79 1ibm h ALA 132 Ca 0.06 -0.14 0.24 0.00 0.00 0.00 0.00 54.91 55.07 1ibm h ALA 132 Cb 0.91 0.62 -0.04 0.00 0.00 0.00 0.00 17.79 19.28 1ibm h ALA 132 CO 0.08 -1.06 0.60 1.88 0.00 0.00 0.00 179.25 180.75 1ibm h TYR 133 N -0.72 0.09 0.63 0.00 0.99 -1.51 0.96 116.97 117.40 1ibm h TYR 133 Ca -0.04 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.66 1ibm h TYR 133 Cb 0.63 -0.03 0.01 0.00 1.00 0.00 0.00 36.73 38.34 1ibm h TYR 133 CO -0.22 0.02 -0.30 0.00 -0.00 0.00 0.00 178.16 177.66 1ibm h ALA 134 N 1.59 -0.89 -0.52 3.88 0.00 -0.07 -0.93 119.26 122.33 1ibm h ALA 134 Ca 0.41 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.23 1ibm h ALA 134 Cb 1.52 0.33 -0.11 0.00 0.00 0.00 0.00 17.79 19.53 1ibm h ALA 134 CO -0.03 -0.82 -0.27 1.15 0.00 0.00 0.00 179.25 179.27 1ibm h THR 135 N -1.17 0.26 -0.46 0.00 2.02 0.13 0.45 112.91 114.14 1ibm h THR 135 Ca -0.09 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.19 1ibm h THR 135 Cb 0.65 0.26 -0.10 0.00 -1.74 0.00 0.00 68.15 67.22 1ibm h THR 135 CO 0.14 0.00 -0.24 0.24 0.37 0.00 0.00 175.52 176.03 1ibm h MET 136 N -0.15 -0.14 -0.09 6.66 2.07 -0.88 0.56 114.93 122.97 1ibm h MET 136 Ca 0.23 0.01 0.03 0.00 -2.07 0.00 0.00 59.70 57.90 1ibm h MET 136 Cb 0.52 0.03 -0.03 0.00 -1.87 0.00 0.00 31.60 30.25 1ibm h MET 136 CO -0.61 -0.09 -0.10 0.93 1.07 0.00 0.00 176.91 178.11 1ibm h GLU 137 N -0.15 -0.12 -0.71 1.72 4.39 0.62 -1.31 114.58 119.02 1ibm h GLU 137 Ca 0.21 0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.98 1ibm h GLU 137 Cb 0.48 0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 29.07 1ibm h GLU 137 CO -0.55 -0.08 -0.42 0.00 -1.16 0.00 0.00 179.01 176.80 1ibm n ALA 138 N -2.42 -0.46 0.06 3.43 0.00 0.13 -0.90 120.51 120.35 1ibm n ALA 138 Ca -0.04 0.61 -0.11 0.00 0.00 0.00 0.00 53.44 53.89 1ibm n ALA 138 Cb 0.16 0.02 -0.05 0.00 0.00 0.00 0.00 19.45 19.58 1ibm n ALA 138 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ibm h LEU 139 N 0.00 -0.83 -1.60 0.00 3.38 -0.64 -2.09 115.31 113.53 1ibm h LEU 139 Ca 0.11 0.11 0.38 0.00 0.09 0.00 0.00 57.88 58.58 1ibm h LEU 139 Cb 0.29 0.34 -0.05 0.00 0.09 0.00 0.00 40.66 41.33 1ibm h LEU 139 CO -0.67 -0.34 1.16 0.03 0.09 0.00 0.00 178.44 178.70 1ibm h ARG 140 N -0.42 0.00 -0.00 1.13 3.08 0.12 0.17 114.38 118.46 1ibm h ARG 140 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1ibm h ARG 140 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1ibm h ARG 140 CO -0.24 0.00 -0.65 1.04 -1.07 0.00 0.00 179.97 179.05 1ibm n GLN 141 N -3.66 0.35 -1.60 0.04 6.02 -0.79 -4.97 117.38 112.77 1ibm n GLN 141 Ca 0.29 -0.26 -0.38 0.00 -0.01 0.00 0.00 57.00 56.64 1ibm n GLN 141 Cb 1.56 -1.49 0.05 0.00 1.02 0.00 0.00 30.24 31.38 1ibm n GLN 141 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1ibm n LEU 142 N -1.10 3.37 -3.88 1.08 4.77 0.60 -5.01 117.00 116.83 1ibm n LEU 142 Ca 0.07 0.82 -0.13 0.00 -0.03 0.00 0.00 56.01 56.74 1ibm n LEU 142 Cb 0.36 -1.37 -0.14 0.00 -2.33 0.00 0.00 43.42 39.94 1ibm n LEU 142 CO 0.35 -1.91 -0.37 -0.13 -1.33 0.00 0.00 177.39 174.00 1ibm s ARG 143 N -2.64 0.08 0.36 3.23 1.81 -1.26 -4.96 118.95 115.58 1ibm s ARG 143 Ca 0.74 -0.02 -0.09 0.00 -1.72 0.00 0.00 55.73 54.64 1ibm s ARG 143 Cb -0.43 -0.10 -0.06 0.00 -0.45 0.00 0.00 34.95 33.91 1ibm s ARG 143 CO 0.49 0.01 0.70 0.99 -0.68 0.00 0.00 175.30 176.80 1ibm s THR 144 N 0.06 4.85 0.56 0.02 2.01 -1.26 -4.80 115.64 117.08 1ibm s THR 144 Ca -0.00 0.48 0.31 0.00 0.31 0.00 0.00 61.69 62.79 1ibm s THR 144 Cb -0.01 -3.72 0.45 0.00 0.01 0.00 0.00 72.50 69.23 1ibm s THR 144 CO -0.00 -0.42 1.87 0.50 -0.69 0.00 0.00 174.62 175.88 1ibm h LYS 145 N 1.50 0.00 0.00 4.92 3.64 -2.00 -2.43 116.57 122.20 1ibm h LYS 145 Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1ibm h LYS 145 Cb 1.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1ibm h LYS 145 CO 0.65 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.83 1ibm n ALA 146 N -2.58 0.00 -0.28 5.00 0.00 -1.26 -1.45 120.51 119.93 1ibm n ALA 146 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.73 1ibm n ALA 146 Cb 0.89 0.07 0.26 0.00 0.00 0.00 0.00 19.45 20.68 1ibm n ALA 146 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ibm n ASP 147 N -0.61 -0.07 0.12 0.00 10.43 -0.95 0.23 116.55 125.71 1ibm n ASP 147 Ca 0.00 1.39 -0.09 0.00 2.57 0.00 0.00 54.79 58.66 1ibm n ASP 147 Cb 0.00 -0.52 -0.05 0.00 1.84 0.00 0.00 41.12 42.39 1ibm n ASP 147 CO 0.00 0.00 0.00 0.58 -1.07 0.00 0.00 177.20 176.71 1ibm h VAL 148 N 0.00 0.00 0.00 2.53 2.07 -1.35 0.82 116.25 120.32 1ibm h VAL 148 Ca 0.51 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 68.01 1ibm h VAL 148 Cb 1.08 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1ibm h VAL 148 CO -0.76 0.00 -0.11 1.05 0.02 0.00 0.00 177.57 177.77 1ibm h GLU 149 N -0.47 0.00 0.00 1.57 4.11 0.74 0.03 114.58 120.56 1ibm h GLU 149 Ca -0.02 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.32 1ibm h GLU 149 Cb 0.42 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1ibm h GLU 149 CO -0.06 0.11 -0.39 -0.09 0.07 0.00 0.00 179.01 178.65 1ibm h ARG 150 N 0.00 0.00 0.00 1.06 1.12 0.41 -2.84 114.38 114.13 1ibm h ARG 150 Ca -0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1ibm h ARG 150 Cb 0.30 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.26 1ibm h ARG 150 CO 0.01 0.39 -0.17 -0.07 -3.11 0.00 0.00 179.97 177.03 1ibm h LEU 151 N 0.00 0.00 -3.31 3.80 3.38 0.27 -3.36 115.31 116.09 1ibm h LEU 151 Ca -0.00 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 1ibm h LEU 151 Cb 0.79 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.48 1ibm h LEU 151 CO 0.05 0.03 -0.02 0.54 0.09 0.00 0.00 178.44 179.12 1ibm n ARG 152 N -2.26 2.28 0.00 1.13 1.74 -1.07 -4.93 116.66 113.55 1ibm n ARG 152 Ca 0.05 -3.00 0.00 0.00 -0.77 0.00 0.00 57.85 54.13 1ibm n ARG 152 Cb 0.44 -1.82 0.00 0.00 -1.02 0.00 0.00 32.46 30.06 1ibm n ARG 152 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1ibm n LYS 153 N -0.88 0.00 -0.72 5.56 4.81 -1.24 -5.08 118.16 120.62 1ibm n LYS 153 Ca 0.28 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.72 1ibm n LYS 153 Cb 0.97 0.00 0.00 0.00 0.02 0.00 0.00 35.03 36.02 1ibm n LYS 153 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98