#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kcm n LYS 2 N 0.00 0.22 -0.51 3.17 4.01 -1.26 -4.84 118.16 118.96 2kcm n LYS 2 Ca 0.00 -1.05 0.00 0.00 -0.51 0.00 0.00 58.31 56.75 2kcm n LYS 2 Cb 0.00 -0.30 0.00 0.00 -0.51 0.00 0.00 35.03 34.22 2kcm n LYS 2 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2kcm n GLY 3 N 1.89 1.98 2.97 0.72 0.00 -1.25 -2.04 105.19 109.47 2kcm n GLY 3 Ca 0.07 -0.80 -0.11 0.00 0.00 0.00 0.00 46.02 45.18 2kcm n GLY 3 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kcm s LYS 4 N -0.16 0.20 -0.06 1.61 2.20 -0.51 -3.25 119.74 119.78 2kcm s LYS 4 Ca 0.00 -0.17 -0.30 0.00 -0.36 0.00 0.00 55.97 55.14 2kcm s LYS 4 Cb 0.00 0.08 -0.03 0.00 -1.51 0.00 0.00 37.83 36.38 2kcm s LYS 4 CO 0.00 -0.04 1.11 0.54 -0.36 0.00 0.00 175.35 176.60 2kcm s VAL 5 N -0.58 4.49 -0.22 4.02 0.11 -1.13 -1.59 120.40 125.51 2kcm s VAL 5 Ca -0.06 1.79 0.09 0.00 -2.93 0.00 0.00 61.98 60.86 2kcm s VAL 5 Cb -0.04 -4.15 -0.19 0.00 -1.53 0.00 0.00 36.38 30.47 2kcm s VAL 5 CO 0.00 0.02 -0.08 0.55 -3.33 0.00 0.00 175.10 172.26 2kcm n VAL 6 N 4.47 1.35 -3.72 2.04 3.14 -1.23 -3.85 118.33 120.54 2kcm n VAL 6 Ca 0.10 -0.66 -0.12 0.00 -2.96 0.00 0.00 64.34 60.70 2kcm n VAL 6 Cb 0.48 -0.96 -0.10 0.00 -1.06 0.00 0.00 33.84 32.20 2kcm n VAL 6 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 2kcm s SER 7 N -5.87 -0.46 -0.27 6.55 0.01 -0.90 -4.85 113.70 107.92 2kcm s SER 7 Ca -0.22 0.84 -0.05 0.00 1.31 0.00 0.00 55.95 57.83 2kcm s SER 7 Cb 0.07 0.79 0.14 0.00 0.21 0.00 0.00 66.02 67.24 2kcm s SER 7 CO 0.66 -0.16 0.54 -0.47 0.41 0.00 0.00 173.24 174.22 2kcm s TYR 8 N 0.76 -1.24 -0.14 2.43 5.04 -1.26 -0.66 117.35 122.28 2kcm s TYR 8 Ca -0.04 1.72 0.02 0.00 -2.44 0.00 0.00 57.07 56.33 2kcm s TYR 8 Cb -0.05 0.50 0.01 0.00 0.35 0.00 0.00 41.96 42.76 2kcm s TYR 8 CO -0.05 -0.71 -0.21 -0.51 -1.34 0.00 0.00 175.55 172.72 2kcm s LEU 9 N 2.77 2.17 0.56 6.97 1.43 -1.26 -4.99 118.68 126.33 2kcm s LEU 9 Ca 0.07 -0.59 0.30 0.00 -1.03 0.00 0.00 54.13 52.89 2kcm s LEU 9 Cb -0.14 -1.46 1.67 0.00 0.03 0.00 0.00 46.19 46.29 2kcm s LEU 9 CO -0.18 0.08 2.16 0.00 0.23 0.00 0.00 176.35 178.63 2kcm h ALA 10 N 7.35 1.31 -0.86 4.21 0.00 -1.92 -1.74 119.26 127.60 2kcm h ALA 10 Ca -0.33 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 2kcm h ALA 10 Cb 1.19 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 2kcm h ALA 10 CO 0.56 0.08 0.49 0.00 0.00 0.00 0.00 179.25 180.38 2kcm h ALA 11 N 1.93 1.23 -0.02 0.00 0.00 -1.94 -2.01 119.26 118.47 2kcm h ALA 11 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2kcm h ALA 11 Cb 0.21 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2kcm h ALA 11 CO 0.01 0.63 -0.31 1.63 0.00 0.00 0.00 179.25 181.21 2kcm n LYS 12 N -4.35 1.35 -0.10 0.00 5.02 -0.88 -4.91 118.16 114.29 2kcm n LYS 12 Ca 0.09 -1.04 0.00 0.00 -2.02 0.00 0.00 58.31 55.35 2kcm n LYS 12 Cb 0.09 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 2kcm n LYS 12 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2kcm n LYS 13 N 0.08 0.00 -3.76 1.97 4.76 -0.71 -4.84 118.16 115.66 2kcm n LYS 13 Ca 0.11 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.46 2kcm n LYS 13 Cb 0.46 -3.40 -0.06 0.00 -1.84 0.00 0.00 35.03 30.19 2kcm n LYS 13 CO 0.00 0.00 0.00 1.52 -1.37 0.00 0.00 177.40 177.55 2kcm s TYR 14 N -1.60 0.01 0.00 2.13 -0.85 -1.24 -3.79 117.35 112.01 2kcm s TYR 14 Ca 0.00 -0.37 0.00 0.00 -0.52 0.00 0.00 57.07 56.18 2kcm s TYR 14 Cb 0.00 0.13 0.00 0.00 0.38 0.00 0.00 41.96 42.47 2kcm s TYR 14 CO 0.00 -0.68 0.00 0.41 -1.52 0.00 0.00 175.55 173.76 2kcm n GLY 15 N -0.19 3.27 3.16 5.49 0.00 -1.25 -4.19 105.19 111.48 2kcm n GLY 15 Ca -0.14 -0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.61 2kcm n GLY 15 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2kcm s PHE 16 N 2.49 0.04 0.02 1.61 0.08 0.17 -4.56 117.98 117.84 2kcm s PHE 16 Ca 0.00 -0.20 0.03 0.00 0.12 0.00 0.00 56.93 56.87 2kcm s PHE 16 Cb 0.00 -0.03 -0.02 0.00 -0.57 0.00 0.00 43.02 42.40 2kcm s PHE 16 CO 0.00 -0.39 -0.08 0.42 -0.10 0.00 0.00 175.22 175.07 2kcm s ILE 17 N -2.16 0.61 -0.36 0.64 1.01 -1.17 -2.11 121.20 117.65 2kcm s ILE 17 Ca -0.08 -0.76 -0.08 0.00 0.00 0.00 0.00 60.65 59.73 2kcm s ILE 17 Cb -0.03 -0.59 0.05 0.00 0.01 0.00 0.00 42.46 41.89 2kcm s ILE 17 CO -0.02 -0.13 0.16 -1.58 0.00 0.00 0.00 174.94 173.38 2kcm s GLN 18 N -0.97 2.64 0.72 2.79 0.74 -0.62 -3.23 119.66 121.73 2kcm s GLN 18 Ca -0.03 -1.23 -0.12 0.00 0.05 0.00 0.00 55.36 54.02 2kcm s GLN 18 Cb -0.07 -3.59 0.03 0.00 1.10 0.00 0.00 33.01 30.48 2kcm s GLN 18 CO 0.00 -0.74 1.09 0.20 -0.55 0.00 0.00 175.29 175.29 2kcm s GLY 19 N 1.59 1.81 0.31 2.59 0.00 -0.52 -1.42 107.32 111.68 2kcm s GLY 19 Ca 0.00 0.30 0.04 0.00 0.00 0.00 0.00 44.72 45.06 2kcm s GLY 19 CO 0.03 0.64 1.78 1.29 0.00 0.00 0.00 173.10 176.84 2kcm h ASP 20 N -0.66 0.46 -0.34 1.64 2.03 -1.69 -1.88 116.42 115.98 2kcm h ASP 20 Ca -0.45 -0.13 0.00 0.00 -0.73 0.00 0.00 57.03 55.73 2kcm h ASP 20 Cb 1.23 -0.12 0.00 0.00 -0.83 0.00 0.00 39.33 39.61 2kcm h ASP 20 CO 0.54 0.65 0.00 -0.67 -1.03 0.00 0.00 179.24 178.73 2kcm n ASP 21 N -4.18 1.92 0.00 4.15 2.03 -1.26 -4.85 116.55 114.36 2kcm n ASP 21 Ca 0.00 -2.02 0.00 0.00 0.52 0.00 0.00 54.79 53.29 2kcm n ASP 21 Cb 0.35 -0.25 0.00 0.00 -0.72 0.00 0.00 41.12 40.50 2kcm n ASP 21 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kcm n GLY 22 N 1.01 0.56 3.62 0.27 0.00 -0.70 -5.03 105.19 104.92 2kcm n GLY 22 Ca 0.12 -0.43 -0.38 0.00 0.00 0.00 0.00 46.02 45.33 2kcm n GLY 22 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kcm s GLU 23 N -0.89 4.03 0.52 1.61 0.41 -1.26 -4.76 118.70 118.36 2kcm s GLU 23 Ca 0.00 -0.08 -0.17 0.00 -0.41 0.00 0.00 54.97 54.31 2kcm s GLU 23 Cb 0.00 -3.62 -0.07 0.00 -1.78 0.00 0.00 34.13 28.65 2kcm s GLU 23 CO 0.00 -0.17 1.00 -1.54 -0.49 0.00 0.00 175.26 174.07 2kcm s SER 24 N 1.50 6.44 -0.03 -0.19 1.04 -1.26 -1.44 113.70 119.75 2kcm s SER 24 Ca 0.12 1.68 -0.02 0.00 0.48 0.00 0.00 55.95 58.21 2kcm s SER 24 Cb -0.15 -2.52 0.02 0.00 0.10 0.00 0.00 66.02 63.46 2kcm s SER 24 CO 0.09 -0.72 0.07 -0.31 0.98 0.00 0.00 173.24 173.36 2kcm s TYR 25 N -2.47 -0.07 0.35 5.02 2.02 -1.20 -4.64 117.35 116.36 2kcm s TYR 25 Ca 0.61 0.22 -0.26 0.00 -0.37 0.00 0.00 57.07 57.28 2kcm s TYR 25 Cb -0.12 -0.04 -0.09 0.00 -0.40 0.00 0.00 41.96 41.31 2kcm s TYR 25 CO 0.29 -0.07 1.02 -0.06 -1.57 0.00 0.00 175.55 175.17 2kcm s PHE 26 N 0.42 3.48 -0.22 2.71 0.08 -1.17 -3.06 117.98 120.22 2kcm s PHE 26 Ca -0.03 1.71 -0.04 0.00 0.12 0.00 0.00 56.93 58.69 2kcm s PHE 26 Cb -0.05 -3.09 -0.01 0.00 -0.57 0.00 0.00 43.02 39.31 2kcm s PHE 26 CO -0.02 -0.31 -0.04 -1.17 -0.10 0.00 0.00 175.22 173.59 2kcm s LEU 27 N -2.19 2.93 -0.02 -0.37 0.20 -1.26 -3.24 118.68 114.74 2kcm s LEU 27 Ca 0.52 -0.37 0.04 0.00 0.69 0.00 0.00 54.13 55.02 2kcm s LEU 27 Cb -0.23 -1.75 -0.01 0.00 -0.43 0.00 0.00 46.19 43.78 2kcm s LEU 27 CO 0.29 -0.01 -0.14 -1.00 -0.29 0.00 0.00 176.35 175.20 2kcm s HIS 28 N 1.40 1.32 0.28 5.38 3.76 -1.26 -3.95 115.29 122.21 2kcm s HIS 28 Ca 0.05 -0.28 0.02 0.00 -0.15 0.00 0.00 55.06 54.69 2kcm s HIS 28 Cb -0.14 -0.86 0.40 0.00 1.11 0.00 0.00 32.58 33.08 2kcm s HIS 28 CO -0.02 -0.05 1.73 0.27 -0.85 0.00 0.00 174.74 175.81 2kcm h PHE 29 N 5.92 0.60 -0.24 1.40 -0.00 -1.99 -2.66 116.94 119.97 2kcm h PHE 29 Ca -0.34 -0.12 -0.04 0.00 -0.00 0.00 0.00 57.97 57.47 2kcm h PHE 29 Cb 1.16 -0.15 -0.01 0.00 -0.00 0.00 0.00 35.95 36.95 2kcm h PHE 29 CO 0.41 0.71 -0.04 0.77 -0.00 0.00 0.00 178.31 180.16 2kcm h SER 30 N 0.48 0.35 0.04 -0.68 0.02 -1.95 -0.97 113.55 110.83 2kcm h SER 30 Ca 0.08 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2kcm h SER 30 Cb 0.63 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.08 2kcm h SER 30 CO 0.04 0.44 0.00 -0.62 -1.14 0.00 0.00 176.83 175.55 2kcm n GLU 31 N -4.30 0.52 -2.74 3.45 1.02 -1.00 -4.73 120.64 112.86 2kcm n GLU 31 Ca 0.00 0.02 -0.40 0.00 -0.02 0.00 0.00 57.16 56.76 2kcm n GLU 31 Cb 0.23 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.10 2kcm n GLU 31 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2kcm s LEU 32 N -2.07 4.64 0.18 -4.62 1.43 -0.37 -3.64 118.68 114.23 2kcm s LEU 32 Ca 0.26 1.94 -0.10 0.00 -1.03 0.00 0.00 54.13 55.20 2kcm s LEU 32 Cb 0.12 -3.61 0.10 0.00 0.03 0.00 0.00 46.19 42.83 2kcm s LEU 32 CO 0.21 0.14 1.72 -0.07 0.23 0.00 0.00 176.35 178.59 2kcm h LEU 33 N 4.27 0.94 -7.78 1.79 3.38 -1.85 -3.41 115.31 112.65 2kcm h LEU 33 Ca -0.45 -0.20 -0.54 0.00 0.09 0.00 0.00 57.88 56.78 2kcm h LEU 33 Cb 1.20 -0.24 -0.36 0.00 0.09 0.00 0.00 40.66 41.34 2kcm h LEU 33 CO 0.68 0.88 -0.81 -1.81 0.09 0.00 0.00 178.44 177.47 2kcm s ASP 34 N -6.25 2.26 0.57 -0.43 1.01 -1.26 -4.99 116.67 107.59 2kcm s ASP 34 Ca -0.13 -0.35 0.35 0.00 0.71 0.00 0.00 52.55 53.13 2kcm s ASP 34 Cb 0.14 -0.92 1.41 0.00 1.01 0.00 0.00 42.92 44.55 2kcm s ASP 34 CO 0.82 -0.09 1.66 0.11 0.21 0.00 0.00 175.17 177.88 2kcm h LYS 35 N 8.01 0.00 -0.18 8.23 1.79 -1.90 1.28 116.57 133.80 2kcm h LYS 35 Ca -0.32 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.10 2kcm h LYS 35 Cb 1.14 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.78 2kcm h LYS 35 CO 0.44 0.00 -0.14 0.87 -1.08 0.00 0.00 179.45 179.54 2kcm h LYS 36 N 0.00 0.29 0.00 3.15 1.79 -1.96 -1.36 116.57 118.48 2kcm h LYS 36 Ca 0.52 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.92 2kcm h LYS 36 Cb 2.41 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 33.03 2kcm h LYS 36 CO -0.01 0.44 0.00 -0.25 -1.08 0.00 0.00 179.45 178.56 2kcm n ASP 37 N -4.24 0.53 0.12 0.86 8.00 0.44 -1.03 116.55 121.23 2kcm n ASP 37 Ca -0.00 0.73 -0.02 0.00 0.71 0.00 0.00 54.79 56.21 2kcm n ASP 37 Cb 0.29 -0.81 0.22 0.00 -0.02 0.00 0.00 41.12 40.80 2kcm n ASP 37 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2kcm h GLU 38 N 0.00 0.14 -0.01 -1.24 4.81 -1.34 -2.51 114.58 114.44 2kcm h GLU 38 Ca 0.00 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 2kcm h GLU 38 Cb 0.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.42 2kcm h GLU 38 CO 0.00 0.60 -0.17 0.41 -0.73 0.00 0.00 179.01 179.12 2kcm n GLY 39 N -0.04 -0.52 0.92 1.92 0.00 -0.19 -3.51 105.19 103.76 2kcm n GLY 39 Ca -0.02 -0.39 0.09 0.00 0.00 0.00 0.00 46.02 45.70 2kcm n GLY 39 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kcm n LYS 40 N -0.51 2.49 -1.98 1.61 5.02 -0.96 -4.99 118.16 118.83 2kcm n LYS 40 Ca 0.14 -2.17 -0.35 0.00 -2.02 0.00 0.00 58.31 53.91 2kcm n LYS 40 Cb 0.34 -1.40 0.03 0.00 -0.02 0.00 0.00 35.03 33.98 2kcm n LYS 40 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2kcm s LEU 41 N -1.10 3.61 -0.03 -0.35 1.43 -1.13 -4.84 118.68 116.28 2kcm s LEU 41 Ca 0.32 2.28 0.05 0.00 -1.03 0.00 0.00 54.13 55.75 2kcm s LEU 41 Cb 0.18 -4.59 -0.01 0.00 0.03 0.00 0.00 46.19 41.80 2kcm s LEU 41 CO 0.24 -1.57 -0.17 0.54 0.23 0.00 0.00 176.35 175.62 2kcm s VAL 42 N -1.78 1.38 -0.16 -1.59 0.11 -1.26 -5.11 120.40 111.99 2kcm s VAL 42 Ca 0.75 -0.72 -0.05 0.00 -2.93 0.00 0.00 61.98 59.03 2kcm s VAL 42 Cb -0.27 -1.16 -0.03 0.00 -1.53 0.00 0.00 36.38 33.38 2kcm s VAL 42 CO 0.34 0.39 -0.00 -0.75 -3.33 0.00 0.00 175.10 171.75 2kcm s LYS 43 N -0.20 3.71 0.00 1.54 2.20 -1.26 -4.43 119.74 121.29 2kcm s LYS 43 Ca 0.02 -0.46 0.00 0.00 -0.36 0.00 0.00 55.97 55.17 2kcm s LYS 43 Cb -0.09 -2.99 0.00 0.00 -1.51 0.00 0.00 37.83 33.24 2kcm s LYS 43 CO 0.01 0.29 0.00 0.41 -0.36 0.00 0.00 175.35 175.70 2kcm n GLY 44 N 3.40 3.16 3.99 5.54 0.00 -1.25 -5.02 105.19 115.02 2kcm n GLY 44 Ca -0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 2kcm n GLY 44 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kcm s SER 45 N -0.51 4.14 0.45 1.61 0.01 -1.26 -4.83 113.70 113.31 2kcm s SER 45 Ca 0.00 -0.42 -0.15 0.00 1.31 0.00 0.00 55.95 56.69 2kcm s SER 45 Cb 0.00 0.14 -0.08 0.00 0.21 0.00 0.00 66.02 66.29 2kcm s SER 45 CO 0.00 -2.01 0.88 -0.04 0.41 0.00 0.00 173.24 172.48 2kcm s MET 46 N -5.22 3.94 0.14 12.44 -1.94 -1.26 -2.86 119.30 124.54 2kcm s MET 46 Ca 0.68 0.79 0.03 0.00 -1.71 0.00 0.00 55.69 55.48 2kcm s MET 46 Cb -0.04 -2.26 -0.04 0.00 2.01 0.00 0.00 34.83 34.50 2kcm s MET 46 CO 0.45 -0.11 -0.05 0.14 -0.01 0.00 0.00 175.02 175.44 2kcm s VAL 47 N -2.41 0.85 -0.08 -6.03 -7.23 -1.20 -4.87 120.40 99.44 2kcm s VAL 47 Ca 0.56 -1.99 0.05 0.00 -1.81 0.00 0.00 61.98 58.79 2kcm s VAL 47 Cb -0.10 -1.90 -0.00 0.00 0.56 0.00 0.00 36.38 34.94 2kcm s VAL 47 CO 0.27 -0.69 -0.23 -2.28 -0.31 0.00 0.00 175.10 171.86 2kcm s HIS 48 N -3.53 2.40 0.11 2.82 2.46 -1.12 -3.96 115.29 114.47 2kcm s HIS 48 Ca 0.18 -0.88 -0.13 0.00 0.47 0.00 0.00 55.06 54.70 2kcm s HIS 48 Cb 0.05 -1.60 0.02 0.00 -0.13 0.00 0.00 32.58 30.92 2kcm s HIS 48 CO 0.00 -0.33 0.31 -0.59 -2.47 0.00 0.00 174.74 171.66 2kcm s PHE 49 N 0.18 -0.05 0.12 3.88 -0.12 -1.26 -0.07 117.98 120.66 2kcm s PHE 49 Ca -0.13 -0.31 0.01 0.00 -0.05 0.00 0.00 56.93 56.45 2kcm s PHE 49 Cb -0.16 0.12 -0.04 0.00 -0.63 0.00 0.00 43.02 42.31 2kcm s PHE 49 CO 0.07 -0.63 0.27 -0.51 -0.05 0.00 0.00 175.22 174.36 2kcm s ASP 50 N -2.82 6.35 0.24 1.98 1.11 -0.65 -4.86 116.67 118.02 2kcm s ASP 50 Ca 0.04 0.23 -0.30 0.00 0.18 0.00 0.00 52.55 52.69 2kcm s ASP 50 Cb 0.03 -1.94 -0.10 0.00 1.07 0.00 0.00 42.92 41.98 2kcm s ASP 50 CO -0.12 0.08 1.49 -2.16 1.18 0.00 0.00 175.17 175.65 2kcm s PRO 51 N -2.99 4.23 -0.34 8.23 0.04 -1.26 -3.12 135.00 139.78 2kcm s PRO 51 Ca 0.35 2.35 0.04 0.00 0.04 0.00 0.00 61.00 63.79 2kcm s PRO 51 Cb -0.12 -3.11 0.17 0.00 0.04 0.00 0.00 34.50 31.48 2kcm s PRO 51 CO 0.28 -0.49 0.48 0.99 0.04 0.00 0.00 177.00 178.30 2kcm s THR 52 N 0.26 -0.69 -1.04 1.26 2.01 -1.24 -4.87 115.64 111.33 2kcm s THR 52 Ca 0.62 -0.38 -0.23 0.00 0.31 0.00 0.00 61.69 62.02 2kcm s THR 52 Cb -0.43 -0.64 0.05 0.00 0.01 0.00 0.00 72.50 71.49 2kcm s THR 52 CO 0.41 -0.26 1.47 -2.16 -0.69 0.00 0.00 174.62 173.39 2kcm s PRO 53 N 2.08 3.62 0.66 4.92 0.04 -1.26 -2.73 135.00 142.32 2kcm s PRO 53 Ca 0.13 -1.18 -0.13 0.00 0.04 0.00 0.00 61.00 59.86 2kcm s PRO 53 Cb -0.11 -5.37 -0.00 0.00 0.04 0.00 0.00 34.50 29.06 2kcm s PRO 53 CO -0.16 -2.22 1.07 0.95 0.04 0.00 0.00 177.00 176.68 2kcm s THR 54 N 4.93 3.76 0.13 1.26 -4.23 -1.26 -4.90 115.64 115.33 2kcm s THR 54 Ca 0.47 0.70 0.32 0.00 -1.18 0.00 0.00 61.69 62.00 2kcm s THR 54 Cb 0.00 -3.30 0.33 0.00 1.34 0.00 0.00 72.50 70.88 2kcm s THR 54 CO -0.09 -0.62 1.98 1.55 -0.54 0.00 0.00 174.62 176.90 2kcm h PRO 55 N -0.22 0.00 -0.00 3.99 0.13 -1.99 -1.02 132.00 132.89 2kcm h PRO 55 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2kcm h PRO 55 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2kcm h PRO 55 CO 0.56 0.00 -0.01 1.17 -0.23 0.00 0.00 178.00 179.49 2kcm n LYS 56 N -2.68 0.70 0.00 0.86 4.81 -1.26 -4.96 118.16 115.62 2kcm n LYS 56 Ca -0.01 -0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.37 2kcm n LYS 56 Cb 0.12 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.67 2kcm n LYS 56 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2kcm n GLY 57 N 1.18 1.55 2.78 3.14 0.00 -0.39 -5.04 105.19 108.42 2kcm n GLY 57 Ca 0.18 -0.51 -0.15 0.00 0.00 0.00 0.00 46.02 45.54 2kcm n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kcm s LEU 58 N 0.00 1.17 -0.00 0.99 1.43 -1.26 -4.04 118.68 116.96 2kcm s LEU 58 Ca 0.00 0.03 -0.03 0.00 -1.03 0.00 0.00 54.13 53.10 2kcm s LEU 58 Cb 0.00 -0.08 -0.00 0.00 0.03 0.00 0.00 46.19 46.14 2kcm s LEU 58 CO 0.00 -0.11 0.05 0.00 0.23 0.00 0.00 176.35 176.52 2kcm s ALA 59 N 0.97 -0.10 0.33 4.21 0.00 -1.11 -3.04 121.76 123.03 2kcm s ALA 59 Ca -0.08 -0.17 -0.05 0.00 0.00 0.00 0.00 51.96 51.65 2kcm s ALA 59 Cb -0.12 0.04 -0.05 0.00 0.00 0.00 0.00 23.12 22.99 2kcm s ALA 59 CO -0.03 -0.12 0.61 0.00 0.00 0.00 0.00 175.76 176.22 2kcm s ALA 60 N -0.87 3.56 -0.01 0.00 0.00 -1.20 -3.60 121.76 119.65 2kcm s ALA 60 Ca -0.10 -0.53 -0.05 0.00 0.00 0.00 0.00 51.96 51.29 2kcm s ALA 60 Cb -0.06 -2.38 -0.00 0.00 0.00 0.00 0.00 23.12 20.68 2kcm s ALA 60 CO 0.00 0.12 0.09 0.21 0.00 0.00 0.00 175.76 176.18 2kcm s LYS 61 N -3.79 0.35 -1.27 0.00 2.20 -1.18 -4.89 119.74 111.16 2kcm s LYS 61 Ca 0.45 -0.30 -0.01 0.00 -0.36 0.00 0.00 55.97 55.75 2kcm s LYS 61 Cb -0.10 0.14 -0.00 0.00 -1.51 0.00 0.00 37.83 36.36 2kcm s LYS 61 CO 0.32 -0.07 0.76 0.00 -0.36 0.00 0.00 175.35 176.00 2kcm n ALA 62 N 1.90 -2.07 -1.79 3.13 0.00 -1.24 -1.63 120.51 118.82 2kcm n ALA 62 Ca -0.20 -0.14 -0.41 0.00 0.00 0.00 0.00 53.44 52.69 2kcm n ALA 62 Cb 0.56 -2.32 -0.02 0.00 0.00 0.00 0.00 19.45 17.67 2kcm n ALA 62 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2kcm s ILE 63 N -3.60 2.79 0.07 0.00 1.01 -1.26 -4.28 121.20 115.94 2kcm s ILE 63 Ca 0.05 0.79 0.06 0.00 0.00 0.00 0.00 60.65 61.54 2kcm s ILE 63 Cb -0.01 -3.50 -0.03 0.00 0.01 0.00 0.00 42.46 38.93 2kcm s ILE 63 CO 0.80 0.18 -0.15 -0.55 0.00 0.00 0.00 174.94 175.22 2kcm s SER 64 N -0.43 1.81 -0.85 3.58 0.15 0.89 -4.71 113.70 114.15 2kcm s SER 64 Ca 0.49 -0.62 -0.01 0.00 0.70 0.00 0.00 55.95 56.52 2kcm s SER 64 Cb -0.39 -0.07 0.21 0.00 -1.71 0.00 0.00 66.02 64.06 2kcm s SER 64 CO 0.51 -0.05 0.72 -0.76 1.20 0.00 0.00 173.24 174.86 2kcm s LEU 65 N -1.72 5.45 0.00 3.45 2.01 -1.26 -2.78 118.68 123.84 2kcm s LEU 65 Ca -0.00 -3.65 -0.00 0.00 0.01 0.00 0.00 54.13 50.49 2kcm s LEU 65 Cb -0.10 -1.88 -0.02 0.00 0.01 0.00 0.00 46.19 44.20 2kcm s LEU 65 CO 0.02 -0.19 1.48 -0.81 1.01 0.00 0.00 176.35 177.86 2kcm n PRO 66 N 2.42 0.74 -1.71 1.29 -0.04 -1.26 -4.91 135.00 131.54 2kcm n PRO 66 Ca 0.20 -0.07 -0.41 0.00 -0.04 0.00 0.00 63.50 63.17 2kcm n PRO 66 Cb 0.37 -1.24 0.01 0.00 -0.04 0.00 0.00 33.50 32.60 2kcm n PRO 66 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2kcm n LEU 67 N 1.77 3.97 -3.66 1.53 4.77 -1.26 -4.97 117.00 119.15 2kcm n LEU 67 Ca 0.03 1.14 -0.29 0.00 -0.03 0.00 0.00 56.01 56.86 2kcm n LEU 67 Cb 0.37 -1.50 -0.12 0.00 -2.33 0.00 0.00 43.42 39.83 2kcm n LEU 67 CO 0.02 -0.56 -0.23 -1.61 -1.33 0.00 0.00 177.39 173.68 2kcm s GLU 68 N -2.13 1.35 -0.02 3.23 2.02 -1.26 -4.99 118.70 116.90 2kcm s GLU 68 Ca 0.59 -2.20 -0.00 0.00 0.02 0.00 0.00 54.97 53.37 2kcm s GLU 68 Cb -0.52 -2.25 -0.00 0.00 0.10 0.00 0.00 34.13 31.46 2kcm s GLU 68 CO 0.59 -1.23 -0.01 1.25 0.02 0.00 0.00 175.26 175.88 2kcm h HIS 69 N 6.29 0.00 -0.34 1.61 2.76 -1.93 -3.40 115.15 120.14 2kcm h HIS 69 Ca 0.08 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.17 2kcm h HIS 69 Cb 0.90 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.85 2kcm h HIS 69 CO 0.47 0.00 -0.11 1.25 -1.30 0.00 0.00 177.93 178.24 2kcm h HIS 70 N -0.16 0.77 -3.95 5.26 -0.00 -1.94 -3.44 115.15 111.68 2kcm h HIS 70 Ca 0.00 -0.17 -0.47 0.00 -0.00 0.00 0.00 60.37 59.73 2kcm h HIS 70 Cb 0.02 -0.18 0.00 0.00 -0.00 0.00 0.00 27.41 27.25 2kcm h HIS 70 CO -0.01 0.85 0.38 -1.01 -0.00 0.00 0.00 177.93 178.15 2kcm s HIS 71 N -4.73 3.39 0.16 5.26 4.02 -1.26 -4.86 115.29 117.27 2kcm s HIS 71 Ca -0.13 1.68 0.00 0.00 1.02 0.00 0.00 55.06 57.63 2kcm s HIS 71 Cb 0.09 -3.03 0.00 0.00 -1.02 0.00 0.00 32.58 28.62 2kcm s HIS 71 CO 0.80 -0.32 0.00 0.72 1.02 0.00 0.00 174.74 176.96 2kcm n HIS 72 N 0.02 -1.65 -3.27 1.40 -0.00 -1.26 -4.75 115.22 105.72 2kcm n HIS 72 Ca 0.04 0.82 -0.21 0.00 -0.00 0.00 0.00 57.72 58.38 2kcm n HIS 72 Cb 0.50 -1.50 0.02 0.00 -0.00 0.00 0.00 29.99 29.02 2kcm n HIS 72 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kcm n HIS 73 N -2.24 -2.16 1.60 4.41 8.25 -1.26 -4.82 115.22 119.01 2kcm n HIS 73 Ca 0.00 0.90 0.13 0.00 -0.26 0.00 0.00 57.72 58.50 2kcm n HIS 73 Cb 0.58 -2.05 0.76 0.00 1.12 0.00 0.00 29.99 30.40 2kcm n HIS 73 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70