#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kum s LEU 2 N 0.00 2.19 -0.35 5.98 0.05 -1.26 -5.10 118.68 120.20 2kum s LEU 2 Ca 0.00 -0.57 -0.29 0.00 0.05 0.00 0.00 54.13 53.33 2kum s LEU 2 Cb 0.00 -1.02 -0.00 0.00 -2.05 0.00 0.00 46.19 43.12 2kum s LEU 2 CO 0.00 0.16 1.46 -0.76 -0.55 0.00 0.00 176.35 176.67 2kum s LEU 3 N -1.33 3.68 0.22 1.48 2.01 -1.26 -4.98 118.68 118.51 2kum s LEU 3 Ca 0.08 1.08 -0.32 0.00 0.01 0.00 0.00 54.13 54.98 2kum s LEU 3 Cb -0.09 -3.54 -0.12 0.00 0.01 0.00 0.00 46.19 42.45 2kum s LEU 3 CO 0.02 -1.36 1.65 -2.65 1.01 0.00 0.00 176.35 175.02 2kum n PRO 4 N 7.89 2.61 -1.65 1.29 -0.02 -1.26 -4.64 135.00 139.22 2kum n PRO 4 Ca 0.17 0.94 -0.48 0.00 -2.02 0.00 0.00 63.50 62.11 2kum n PRO 4 Cb 0.47 -2.75 -0.05 0.00 -0.02 0.00 0.00 33.50 31.16 2kum n PRO 4 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2kum n PRO 5 N 3.32 1.90 -1.03 0.52 -0.04 -1.26 -0.73 135.00 137.68 2kum n PRO 5 Ca 0.14 0.68 -0.01 0.00 -0.04 0.00 0.00 63.50 64.28 2kum n PRO 5 Cb 0.34 -2.42 -0.00 0.00 -0.04 0.00 0.00 33.50 31.37 2kum n PRO 5 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2kum n SER 6 N 3.33 -4.45 -3.84 3.54 7.64 -1.26 -4.93 113.62 113.64 2kum n SER 6 Ca 0.18 0.02 -0.28 0.00 1.01 0.00 0.00 58.87 59.80 2kum n SER 6 Cb 0.26 -2.03 -0.12 0.00 -1.01 0.00 0.00 64.21 61.31 2kum n SER 6 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2kum s THR 7 N -1.59 2.57 -0.36 0.44 2.01 0.09 -5.07 115.64 113.74 2kum s THR 7 Ca 0.00 -4.00 -0.01 0.00 0.31 0.00 0.00 61.69 57.98 2kum s THR 7 Cb 0.00 -2.70 0.08 0.00 0.01 0.00 0.00 72.50 69.90 2kum s THR 7 CO 0.00 -1.01 0.10 0.00 -0.69 0.00 0.00 174.62 173.02 2kum s ALA 8 N -1.18 2.98 -0.22 7.40 0.00 -1.26 -4.19 121.76 125.30 2kum s ALA 8 Ca 0.25 -2.23 0.14 0.00 0.00 0.00 0.00 51.96 50.12 2kum s ALA 8 Cb -0.06 -2.16 0.45 0.00 0.00 0.00 0.00 23.12 21.35 2kum s ALA 8 CO -0.15 -1.58 1.18 0.00 0.00 0.00 0.00 175.76 175.21 2kum h THR 11 N 5.86 0.49 -3.65 0.00 1.35 -1.98 -3.46 112.91 111.52 2kum h THR 11 Ca -0.48 -1.46 -0.51 0.00 -0.55 0.00 0.00 66.41 63.41 2kum h THR 11 Cb 1.25 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 2kum h THR 11 CO 0.95 0.17 0.44 0.00 -0.25 0.00 0.00 175.52 176.82 2kum s GLN 12 N -2.04 4.66 0.05 4.72 1.03 -1.26 -5.05 119.66 121.77 2kum s GLN 12 Ca -0.13 1.67 0.09 0.00 0.04 0.00 0.00 55.36 57.02 2kum s GLN 12 Cb 0.01 -3.27 -0.03 0.00 0.03 0.00 0.00 33.01 29.75 2kum s GLN 12 CO 0.30 0.20 -0.25 -0.51 -2.54 0.00 0.00 175.29 172.49 2kum s LEU 13 N -0.71 2.23 0.14 2.60 1.43 -1.26 -4.81 118.68 118.29 2kum s LEU 13 Ca 0.46 -0.58 -0.02 0.00 -1.03 0.00 0.00 54.13 52.96 2kum s LEU 13 Cb -0.29 -1.31 -0.08 0.00 0.03 0.00 0.00 46.19 44.54 2kum s LEU 13 CO 0.35 0.25 1.31 0.22 0.23 0.00 0.00 176.35 178.72 2kum h TYR 14 N 4.70 0.50 -2.42 0.29 3.20 -0.99 -3.49 116.97 118.76 2kum h TYR 14 Ca -0.47 -0.28 0.24 0.00 3.14 0.00 0.00 58.73 61.37 2kum h TYR 14 Cb 1.15 -0.05 -0.06 0.00 1.54 0.00 0.00 36.73 39.30 2kum h TYR 14 CO 0.50 1.11 -0.32 -2.13 -1.64 0.00 0.00 178.16 175.67 2kum n ARG 15 N -3.70 -1.80 -0.86 1.82 3.00 -1.26 -5.04 116.66 108.83 2kum n ARG 15 Ca -0.06 1.19 0.11 0.00 -0.00 0.00 0.00 57.85 59.09 2kum n ARG 15 Cb 0.84 -2.20 -0.05 0.00 0.00 0.00 0.00 32.46 31.06 2kum n ARG 15 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2kum n LYS 16 N -3.18 -1.91 -2.98 -0.14 5.02 -1.26 -4.82 118.16 108.89 2kum n LYS 16 Ca 0.01 1.47 -0.40 0.00 -2.02 0.00 0.00 58.31 57.37 2kum n LYS 16 Cb 0.41 -2.26 -0.06 0.00 -0.02 0.00 0.00 35.03 33.10 2kum n LYS 16 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2kum s PRO 17 N -3.08 4.54 0.31 1.97 0.05 -1.26 -4.79 135.00 132.75 2kum s PRO 17 Ca 0.00 1.13 -0.26 0.00 0.05 0.00 0.00 61.00 61.92 2kum s PRO 17 Cb 0.00 -3.29 -0.10 0.00 0.05 0.00 0.00 34.50 31.16 2kum s PRO 17 CO 0.00 0.48 0.92 -0.51 0.05 0.00 0.00 177.00 177.95 2kum s LEU 18 N -0.81 4.35 0.57 -3.56 1.43 -1.26 -5.02 118.68 114.38 2kum s LEU 18 Ca 0.37 1.80 -0.21 0.00 -1.03 0.00 0.00 54.13 55.06 2kum s LEU 18 Cb -0.22 -3.97 -0.04 0.00 0.03 0.00 0.00 46.19 41.99 2kum s LEU 18 CO 0.25 -0.05 1.32 -0.44 0.23 0.00 0.00 176.35 177.66 2kum s SER 19 N -1.61 5.17 0.34 2.29 0.01 -1.26 -4.75 113.70 113.90 2kum s SER 19 Ca 0.49 2.68 0.05 0.00 1.31 0.00 0.00 55.95 60.48 2kum s SER 19 Cb -0.19 -2.63 0.69 0.00 0.21 0.00 0.00 66.02 64.11 2kum s SER 19 CO 0.24 -1.63 1.92 -0.78 0.41 0.00 0.00 173.24 173.40 2kum h ASP 20 N 1.25 0.74 -0.66 2.44 3.58 -1.98 0.95 116.42 122.74 2kum h ASP 20 Ca -0.51 0.01 0.06 0.00 0.42 0.00 0.00 57.03 57.01 2kum h ASP 20 Cb 1.30 -0.14 -0.05 0.00 1.72 0.00 0.00 39.33 42.16 2kum h ASP 20 CO 0.56 0.46 0.37 0.11 -2.88 0.00 0.00 179.24 177.86 2kum h LYS 21 N 0.83 0.68 -0.10 0.28 1.57 -2.00 -1.02 116.57 116.80 2kum h LYS 21 Ca 0.37 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.96 2kum h LYS 21 Cb 0.34 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 32.50 2kum h LYS 21 CO -0.14 0.45 -0.51 -0.07 -0.57 0.00 0.00 179.45 178.61 2kum h LEU 22 N 0.70 0.63 -0.15 2.94 3.38 -1.48 -3.34 115.31 117.98 2kum h LEU 22 Ca 0.29 -0.64 0.02 0.00 0.09 0.00 0.00 57.88 57.64 2kum h LEU 22 Cb 0.17 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2kum h LEU 22 CO -0.17 1.16 0.04 -0.07 0.09 0.00 0.00 178.44 179.49 2kum h LEU 23 N 0.13 0.03 0.00 1.67 3.38 -0.51 -1.11 115.31 118.90 2kum h LEU 23 Ca -0.03 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2kum h LEU 23 Cb 1.15 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2kum h LEU 23 CO 0.10 0.04 0.00 -2.11 0.09 0.00 0.00 178.44 176.57 2kum n ARG 24 N -5.07 0.00 0.00 1.13 1.85 -0.42 0.01 116.66 114.17 2kum n ARG 24 Ca -0.04 0.43 0.11 0.00 -1.00 0.00 0.00 57.85 57.35 2kum n ARG 24 Cb 0.07 -1.50 -0.05 0.00 -1.05 0.00 0.00 32.46 29.93 2kum n ARG 24 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2kum n LYS 25 N -1.47 0.58 -2.47 2.89 5.02 -0.43 -4.25 118.16 118.03 2kum n LYS 25 Ca 0.01 -0.48 -0.41 0.00 -2.02 0.00 0.00 58.31 55.40 2kum n LYS 25 Cb 0.03 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.51 2kum n LYS 25 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2kum s VAL 26 N -2.75 3.93 -0.04 -0.18 1.01 0.10 -3.05 120.40 119.42 2kum s VAL 26 Ca 0.13 1.53 0.10 0.00 0.00 0.00 0.00 61.98 63.75 2kum s VAL 26 Cb 0.17 -3.98 -0.16 0.00 0.00 0.00 0.00 36.38 32.41 2kum s VAL 26 CO 0.72 0.20 0.18 2.30 0.00 0.00 0.00 175.10 178.51 2kum n ILE 27 N 3.00 0.19 -3.78 2.22 -5.35 0.22 -4.80 119.36 111.06 2kum n ILE 27 Ca 0.05 -0.29 -0.10 0.00 -0.27 0.00 0.00 62.75 62.13 2kum n ILE 27 Cb 0.46 -0.02 -0.07 0.00 -1.74 0.00 0.00 39.64 38.28 2kum n ILE 27 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2kum s GLN 28 N -2.61 0.84 -0.15 6.28 -1.52 -0.93 -5.01 119.66 116.56 2kum s GLN 28 Ca -0.04 -0.68 -0.01 0.00 -1.95 0.00 0.00 55.36 52.68 2kum s GLN 28 Cb 0.06 0.36 -0.02 0.00 -0.22 0.00 0.00 33.01 33.19 2kum s GLN 28 CO 0.44 -0.27 -0.10 0.08 -0.25 0.00 0.00 175.29 175.18 2kum s VAL 29 N -3.09 3.24 -0.03 1.09 1.01 -1.26 -1.21 120.40 120.15 2kum s VAL 29 Ca -0.01 -0.59 0.07 0.00 0.00 0.00 0.00 61.98 61.45 2kum s VAL 29 Cb 0.01 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.98 2kum s VAL 29 CO -0.07 0.51 -0.24 -1.61 0.00 0.00 0.00 175.10 173.69 2kum s GLU 30 N 0.51 2.22 -0.26 2.72 2.02 0.21 -4.98 118.70 121.15 2kum s GLU 30 Ca -0.07 -0.89 -0.08 0.00 0.02 0.00 0.00 54.97 53.94 2kum s GLU 30 Cb -0.15 -2.10 -0.03 0.00 0.10 0.00 0.00 34.13 31.94 2kum s GLU 30 CO 0.04 0.55 0.10 -1.17 0.02 0.00 0.00 175.26 174.79 2kum s LEU 31 N -0.57 3.60 -0.57 1.80 2.96 -1.26 -0.63 118.68 124.01 2kum s LEU 31 Ca 0.08 -0.22 -0.24 0.00 -0.22 0.00 0.00 54.13 53.54 2kum s LEU 31 Cb -0.11 -1.96 0.05 0.00 0.50 0.00 0.00 46.19 44.67 2kum s LEU 31 CO -0.00 -0.06 0.93 -1.58 -1.32 0.00 0.00 176.35 174.32 2kum s GLN 32 N 1.63 3.28 0.38 1.98 0.74 0.12 -4.96 119.66 122.83 2kum s GLN 32 Ca 0.06 -0.40 -0.25 0.00 0.05 0.00 0.00 55.36 54.82 2kum s GLN 32 Cb -0.15 -4.09 -0.09 0.00 1.10 0.00 0.00 33.01 29.78 2kum s GLN 32 CO 0.05 -1.53 1.08 -1.21 -0.55 0.00 0.00 175.29 173.12 2kum s GLU 33 N 3.91 4.23 0.00 1.67 2.02 -1.26 -1.31 118.70 127.96 2kum s GLU 33 Ca 0.28 1.62 0.12 0.00 0.02 0.00 0.00 54.97 57.01 2kum s GLU 33 Cb -0.14 -2.68 0.73 0.00 0.10 0.00 0.00 34.13 32.15 2kum s GLU 33 CO 0.17 -0.11 1.40 0.00 0.02 0.00 0.00 175.26 176.74 2kum n ALA 34 N 0.18 2.48 0.00 5.21 0.00 -1.26 -2.86 120.51 124.26 2kum n ALA 34 Ca 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2kum n ALA 34 Cb 0.48 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.73 2kum n ALA 34 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2kum n ASP 35 N -0.71 0.00 0.00 0.00 2.03 -0.88 -4.01 116.55 112.99 2kum n ASP 35 Ca 0.09 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.46 2kum n ASP 35 Cb 0.04 0.00 0.35 0.00 -0.72 0.00 0.00 41.12 40.79 2kum n ASP 35 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kum n GLY 36 N -0.45 -0.55 1.55 0.27 0.00 -1.26 -4.51 105.19 100.25 2kum n GLY 36 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2kum n GLY 36 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kum n ASP 37 N -0.84 -1.45 -4.73 1.61 -0.08 -1.25 -4.90 116.55 104.92 2kum n ASP 37 Ca 0.09 0.37 -0.23 0.00 -1.51 0.00 0.00 54.79 53.51 2kum n ASP 37 Cb 0.04 1.60 -0.06 0.00 2.34 0.00 0.00 41.12 45.04 2kum n ASP 37 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kum n HIS 39 N -1.14 1.77 -3.54 0.00 1.44 -1.26 -2.06 115.22 110.42 2kum n HIS 39 Ca -0.03 -1.28 -0.16 0.00 -2.01 0.00 0.00 57.72 54.23 2kum n HIS 39 Cb 0.61 -0.65 -0.06 0.00 0.12 0.00 0.00 29.99 30.01 2kum n HIS 39 CO 0.00 0.00 0.00 -0.48 -2.81 0.00 0.00 176.34 173.05 2kum s LEU 40 N -1.90 -0.40 -0.02 2.39 0.05 -1.26 -4.95 118.68 112.59 2kum s LEU 40 Ca 0.33 0.50 -0.06 0.00 0.05 0.00 0.00 54.13 54.95 2kum s LEU 40 Cb 0.28 2.35 -0.04 0.00 -2.05 0.00 0.00 46.19 46.72 2kum s LEU 40 CO 0.06 -0.64 0.23 -1.58 -0.55 0.00 0.00 176.35 173.87 2kum s GLN 41 N -1.65 3.53 0.00 1.48 0.74 -1.26 -3.99 119.66 118.52 2kum s GLN 41 Ca -0.09 -0.13 -0.20 0.00 0.05 0.00 0.00 55.36 54.99 2kum s GLN 41 Cb -0.01 -3.11 0.04 0.00 1.10 0.00 0.00 33.01 31.03 2kum s GLN 41 CO 0.05 0.68 0.45 0.00 -0.55 0.00 0.00 175.29 175.93 2kum s ALA 42 N -1.24 -1.14 -0.36 1.58 0.00 -0.42 -4.58 121.76 115.60 2kum s ALA 42 Ca 0.25 0.57 -0.05 0.00 0.00 0.00 0.00 51.96 52.73 2kum s ALA 42 Cb -0.13 0.19 0.07 0.00 0.00 0.00 0.00 23.12 23.24 2kum s ALA 42 CO 0.14 -0.38 0.12 -0.06 0.00 0.00 0.00 175.76 175.59 2kum s PHE 43 N -1.81 3.36 -0.20 0.00 0.40 -0.04 0.13 117.98 119.82 2kum s PHE 43 Ca -0.09 -1.82 -0.06 0.00 -0.60 0.00 0.00 56.93 54.35 2kum s PHE 43 Cb -0.02 -2.58 -0.03 0.00 0.51 0.00 0.00 43.02 40.90 2kum s PHE 43 CO 0.03 -0.83 0.04 0.08 0.70 0.00 0.00 175.22 175.23 2kum s VAL 44 N 1.30 4.39 -0.15 -0.44 1.01 0.20 -0.78 120.40 125.92 2kum s VAL 44 Ca 0.01 -0.17 -0.14 0.00 0.00 0.00 0.00 61.98 61.68 2kum s VAL 44 Cb -0.21 -2.99 -0.05 0.00 0.00 0.00 0.00 36.38 33.14 2kum s VAL 44 CO -0.00 0.43 0.31 -0.76 0.00 0.00 0.00 175.10 175.08 2kum s LEU 45 N 0.75 4.27 -0.33 3.92 1.43 0.83 -0.61 118.68 128.94 2kum s LEU 45 Ca 0.02 0.56 -0.07 0.00 -1.03 0.00 0.00 54.13 53.60 2kum s LEU 45 Cb -0.14 -2.40 0.02 0.00 0.03 0.00 0.00 46.19 43.71 2kum s LEU 45 CO 0.02 0.12 0.11 -2.28 0.23 0.00 0.00 176.35 174.55 2kum s HIS 46 N 0.32 3.21 0.53 0.29 5.65 -0.35 -0.74 115.29 124.20 2kum s HIS 46 Ca 0.18 -1.16 -0.03 0.00 0.25 0.00 0.00 55.06 54.29 2kum s HIS 46 Cb -0.13 -2.29 0.00 0.00 -1.18 0.00 0.00 32.58 28.98 2kum s HIS 46 CO 0.05 -0.65 0.81 -0.51 -0.65 0.00 0.00 174.74 173.78 2kum s LEU 47 N 1.47 3.40 0.00 8.88 1.02 0.17 -0.61 118.68 133.00 2kum s LEU 47 Ca 0.01 0.52 0.21 0.00 0.02 0.00 0.00 54.13 54.89 2kum s LEU 47 Cb -0.18 -3.37 1.24 0.00 0.02 0.00 0.00 46.19 43.89 2kum s LEU 47 CO 0.03 -0.93 1.63 0.00 0.02 0.00 0.00 176.35 177.10 2kum n ALA 48 N -2.38 2.30 -0.01 4.21 0.00 -1.17 -2.82 120.51 120.64 2kum n ALA 48 Ca 0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 53.44 53.33 2kum n ALA 48 Cb 0.58 -1.34 -0.02 0.00 0.00 0.00 0.00 19.45 18.67 2kum n ALA 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2kum n GLN 49 N -0.98 3.00 -3.83 0.00 3.00 -1.26 -5.12 117.38 112.20 2kum n GLN 49 Ca 0.16 -0.01 -0.04 0.00 -0.01 0.00 0.00 57.00 57.10 2kum n GLN 49 Cb 0.07 -1.07 0.01 0.00 0.00 0.00 0.00 30.24 29.24 2kum n GLN 49 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.06 176.08 2kum s ARG 50 N -2.09 1.47 -0.02 -1.09 1.70 -1.13 -5.17 118.95 112.62 2kum s ARG 50 Ca -0.01 -0.90 0.05 0.00 -0.47 0.00 0.00 55.73 54.39 2kum s ARG 50 Cb 0.01 0.44 -0.01 0.00 -0.57 0.00 0.00 34.95 34.82 2kum s ARG 50 CO 0.12 -0.68 -0.17 -1.12 -1.08 0.00 0.00 175.30 172.37 2kum s SER 51 N -3.17 1.97 -0.03 -2.89 0.01 -1.26 0.42 113.70 108.75 2kum s SER 51 Ca 0.17 -0.31 0.05 0.00 1.31 0.00 0.00 55.95 57.17 2kum s SER 51 Cb -0.03 -0.29 -0.01 0.00 0.21 0.00 0.00 66.02 65.91 2kum s SER 51 CO 0.06 0.19 -0.18 -0.63 0.41 0.00 0.00 173.24 173.09 2kum s ILE 52 N -0.30 1.44 -0.27 1.44 1.01 0.08 -4.80 121.20 119.80 2kum s ILE 52 Ca 0.04 -0.74 -0.11 0.00 0.00 0.00 0.00 60.65 59.84 2kum s ILE 52 Cb -0.07 -1.23 -0.05 0.00 0.01 0.00 0.00 42.46 41.12 2kum s ILE 52 CO -0.00 0.41 0.18 0.00 0.00 0.00 0.00 174.94 175.53 2kum s ILE 54 N 1.61 3.58 0.15 0.00 1.01 0.04 -0.24 121.20 127.34 2kum s ILE 54 Ca 0.07 -0.62 -0.31 0.00 0.00 0.00 0.00 60.65 59.79 2kum s ILE 54 Cb -0.15 -2.49 -0.10 0.00 0.01 0.00 0.00 42.46 39.73 2kum s ILE 54 CO 0.10 0.53 1.68 -2.28 0.00 0.00 0.00 174.94 174.97 2kum s HIS 55 N -0.86 2.68 0.14 3.97 5.65 -1.26 -0.86 115.29 124.75 2kum s HIS 55 Ca 0.14 0.34 -0.31 0.00 0.25 0.00 0.00 55.06 55.48 2kum s HIS 55 Cb -0.11 -4.05 -0.08 0.00 -1.18 0.00 0.00 32.58 27.17 2kum s HIS 55 CO 0.03 -4.07 1.56 -1.35 -0.65 0.00 0.00 174.74 170.26 2kum h PRO 56 N 7.53 -0.41 -4.59 2.88 0.11 -1.89 -2.78 132.00 132.85 2kum h PRO 56 Ca -0.43 0.03 -0.67 0.00 0.11 0.00 0.00 66.00 65.03 2kum h PRO 56 Cb 1.21 0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.38 2kum h PRO 56 CO 0.94 -0.27 2.65 1.04 -0.21 0.00 0.00 178.00 182.15 2kum n GLN 57 N -5.41 2.61 -4.47 1.05 1.13 -1.26 -4.87 117.38 106.17 2kum n GLN 57 Ca -0.03 -2.61 -0.21 0.00 -1.94 0.00 0.00 57.00 52.21 2kum n GLN 57 Cb 0.36 -3.30 -0.15 0.00 0.11 0.00 0.00 30.24 27.25 2kum n GLN 57 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 2kum s ASN 58 N 3.96 1.33 0.49 1.08 -0.87 -1.05 -5.03 114.94 114.85 2kum s ASN 58 Ca 0.52 -0.21 0.15 0.00 -1.57 0.00 0.00 52.86 51.75 2kum s ASN 58 Cb 0.11 -0.27 1.15 0.00 -0.02 0.00 0.00 41.25 42.22 2kum s ASN 58 CO -0.00 0.10 2.09 1.55 -2.57 0.00 0.00 177.10 178.27 2kum h PRO 59 N 6.16 0.04 -0.16 -0.60 0.13 -1.90 -2.82 132.00 132.86 2kum h PRO 59 Ca -0.33 -0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.72 2kum h PRO 59 Cb 1.17 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2kum h PRO 59 CO 0.49 0.09 -0.23 1.03 -0.23 0.00 0.00 178.00 179.15 2kum h SER 60 N 0.04 0.28 0.09 1.44 0.87 -1.95 -0.63 113.55 113.69 2kum h SER 60 Ca 0.01 -0.08 -0.13 0.00 -1.23 0.00 0.00 61.79 60.37 2kum h SER 60 Cb 0.10 -0.07 0.01 0.00 -0.44 0.00 0.00 62.40 62.00 2kum h SER 60 CO 0.01 0.52 -0.56 0.25 -0.53 0.00 0.00 176.83 176.51 2kum h LEU 61 N 0.26 0.30 -0.17 2.23 7.12 -1.84 -2.22 115.31 120.98 2kum h LEU 61 Ca 0.04 -0.96 -0.01 0.00 0.13 0.00 0.00 57.88 57.08 2kum h LEU 61 Cb 0.55 -0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 40.58 2kum h LEU 61 CO 0.04 1.27 0.05 0.77 -0.13 0.00 0.00 178.44 180.43 2kum h SER 62 N -0.60 0.26 0.06 1.25 4.64 -1.52 -1.77 113.55 115.87 2kum h SER 62 Ca -0.10 -0.21 -0.01 0.00 -0.47 0.00 0.00 61.79 61.00 2kum h SER 62 Cb 1.42 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.44 2kum h SER 62 CO 0.09 0.40 -0.05 0.06 -0.87 0.00 0.00 176.83 176.47 2kum h GLN 63 N 0.10 0.00 -0.72 4.77 3.07 -1.24 -1.73 115.11 119.36 2kum h GLN 63 Ca 0.06 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.75 2kum h GLN 63 Cb 0.24 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.77 2kum h GLN 63 CO -0.00 0.05 0.28 2.35 0.09 0.00 0.00 178.83 181.60 2kum h TRP 64 N 0.00 1.07 -0.84 0.06 -0.00 -0.67 0.57 115.95 116.15 2kum h TRP 64 Ca -0.00 -0.07 0.11 0.00 -0.00 0.00 0.00 58.89 58.93 2kum h TRP 64 Cb 0.09 -0.32 -0.08 0.00 -0.00 0.00 0.00 29.16 28.85 2kum h TRP 64 CO 0.00 0.82 0.47 0.74 -0.00 0.00 0.00 178.44 180.47 2kum h PHE 65 N 1.04 0.84 -0.03 2.65 0.04 -1.04 0.63 116.94 121.06 2kum h PHE 65 Ca 0.24 0.03 -0.22 0.00 2.80 0.00 0.00 57.97 60.82 2kum h PHE 65 Cb 0.20 -0.25 0.02 0.00 2.20 0.00 0.00 35.95 38.11 2kum h PHE 65 CO 0.02 0.31 -0.86 0.93 -0.60 0.00 0.00 178.31 178.11 2kum h GLU 66 N 0.76 0.63 -0.35 1.51 5.08 -1.34 -3.00 114.58 117.87 2kum h GLU 66 Ca 0.42 -0.64 -0.02 0.00 -1.00 0.00 0.00 59.36 58.11 2kum h GLU 66 Cb 0.44 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 2kum h GLU 66 CO -0.28 1.24 0.12 0.45 -1.00 0.00 0.00 179.01 179.55 2kum h HIS 67 N 0.27 0.55 0.00 4.33 3.86 0.11 -2.38 115.15 121.89 2kum h HIS 67 Ca -0.10 -0.05 -0.05 0.00 -1.16 0.00 0.00 60.37 59.01 2kum h HIS 67 Cb 1.52 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 29.82 2kum h HIS 67 CO 0.11 0.53 -0.26 -0.56 0.86 0.00 0.00 177.93 178.61 2kum h GLN 68 N 0.42 0.00 -0.57 2.45 3.07 0.10 -1.96 115.11 118.62 2kum h GLN 68 Ca 0.11 0.00 0.05 0.00 0.09 0.00 0.00 58.65 58.91 2kum h GLN 68 Cb 0.22 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.75 2kum h GLN 68 CO -0.01 0.26 0.38 1.49 0.09 0.00 0.00 178.83 181.04 2kum h GLU 69 N 0.00 0.55 -0.53 0.06 4.81 -1.28 -1.19 114.58 117.00 2kum h GLU 69 Ca -0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2kum h GLU 69 Cb 0.60 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.86 2kum h GLU 69 CO 0.03 0.36 0.00 2.89 -0.73 0.00 0.00 179.01 181.57 2kum n ARG 70 N -4.47 2.92 0.00 1.92 1.85 -0.80 -4.35 116.66 113.72 2kum n ARG 70 Ca 0.08 -2.43 0.00 0.00 -1.00 0.00 0.00 57.85 54.50 2kum n ARG 70 Cb 0.22 -1.49 0.00 0.00 -1.05 0.00 0.00 32.46 30.14 2kum n ARG 70 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2kum n LYS 71 N 1.00 2.57 0.00 2.89 5.02 -0.45 -4.86 118.16 124.33 2kum n LYS 71 Ca 0.19 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 2kum n LYS 71 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.59 2kum n LYS 71 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2kum n LEU 72 N 0.00 0.00 0.00 -0.35 4.32 -1.26 -0.70 117.00 119.01 2kum n LEU 72 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2kum n LEU 72 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2kum n LEU 72 CO 0.00 0.00 0.03 1.57 -1.22 0.00 0.00 177.39 177.77 2kum n HIS 73 N 0.00 0.00 -1.07 -1.77 -0.00 -1.26 -4.96 115.22 106.15 2kum n HIS 73 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.69 2kum n HIS 73 Cb 0.00 0.08 -0.01 0.00 -0.00 0.00 0.00 29.99 30.06 2kum n HIS 73 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2kum n GLY 74 N 0.00 0.59 3.16 1.57 0.00 0.12 -5.03 105.19 105.60 2kum n GLY 74 Ca 0.00 -0.76 -0.20 0.00 0.00 0.00 0.00 46.02 45.06 2kum n GLY 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kum s THR 75 N -2.07 1.16 0.14 2.61 -4.23 -1.26 -4.99 115.64 106.99 2kum s THR 75 Ca 0.00 -1.12 -0.19 0.00 -1.18 0.00 0.00 61.69 59.20 2kum s THR 75 Cb 0.00 -1.07 0.05 0.00 1.34 0.00 0.00 72.50 72.82 2kum s THR 75 CO 0.00 -0.06 0.48 -1.48 -0.54 0.00 0.00 174.62 173.02 2kum s LEU 76 N -1.35 -0.00 0.81 4.79 0.05 -1.26 -4.92 118.68 116.80 2kum s LEU 76 Ca 0.01 -0.18 -0.07 0.00 0.05 0.00 0.00 54.13 53.94 2kum s LEU 76 Cb -0.09 2.15 0.15 0.00 -2.05 0.00 0.00 46.19 46.36 2kum s LEU 76 CO 0.02 -0.90 1.12 -2.16 -0.55 0.00 0.00 176.35 173.88 2kum s PRO 77 N -3.77 1.32 -1.23 1.48 0.04 -1.26 -4.97 135.00 126.60 2kum s PRO 77 Ca 0.02 -0.78 -0.19 0.00 0.04 0.00 0.00 61.00 60.08 2kum s PRO 77 Cb 0.01 -2.14 0.06 0.00 0.04 0.00 0.00 34.50 32.47 2kum s PRO 77 CO -0.12 -1.80 1.68 0.15 0.04 0.00 0.00 177.00 176.94 2kum s LYS 78 N -5.43 3.88 -0.34 4.56 -0.14 -1.26 -4.93 119.74 116.08 2kum s LYS 78 Ca 0.69 -1.79 -0.16 0.00 -1.36 0.00 0.00 55.97 53.34 2kum s LYS 78 Cb -0.05 -5.50 -0.01 0.00 -1.68 0.00 0.00 37.83 30.59 2kum s LYS 78 CO 0.48 -2.27 0.43 -0.51 -0.76 0.00 0.00 175.35 172.72 2kum s LEU 79 N 4.48 4.37 0.00 3.17 1.43 -1.26 -4.94 118.68 125.93 2kum s LEU 79 Ca 0.52 -0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.53 2kum s LEU 79 Cb 0.03 -2.46 0.00 0.00 0.03 0.00 0.00 46.19 43.79 2kum s LEU 79 CO 0.04 -0.39 1.35 -0.46 0.23 0.00 0.00 176.35 177.12 2kum n ASN 80 N 5.53 3.66 -1.67 2.29 6.94 -1.26 -3.99 115.26 126.77 2kum n ASN 80 Ca -0.07 -1.95 0.09 0.00 -0.02 0.00 0.00 54.58 52.64 2kum n ASN 80 Cb 0.49 -0.75 0.37 0.00 -2.36 0.00 0.00 39.78 37.53 2kum n ASN 80 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 2kum n PHE 81 N 1.42 1.61 0.28 -2.53 3.72 -1.26 -4.17 117.46 116.53 2kum n PHE 81 Ca 0.00 -0.63 0.12 0.00 -0.05 0.00 0.00 57.45 56.89 2kum n PHE 81 Cb 0.38 -0.29 0.57 0.00 -0.94 0.00 0.00 39.48 39.20 2kum n PHE 81 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2kum h GLY 82 N 4.18 0.00 -0.56 1.37 0.00 -1.98 -3.05 103.07 103.03 2kum h GLY 82 Ca 0.00 0.00 0.36 0.00 0.00 0.00 0.00 47.33 47.69 2kum h GLY 82 CO 0.28 0.00 0.93 0.00 0.00 0.00 0.00 176.54 177.75 2kum h MET 83 N 0.00 0.00 0.00 4.80 -0.00 -1.94 -1.41 114.93 116.38 2kum h MET 83 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2kum h MET 83 Cb 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.78 2kum h MET 83 CO 0.00 0.00 -0.03 1.47 -0.00 0.00 0.00 176.91 178.35 2kum n LEU 84 N -4.04 1.44 -4.55 -0.10 -0.00 -1.15 -4.62 117.00 103.97 2kum n LEU 84 Ca 0.27 -1.60 -0.38 0.00 -0.00 0.00 0.00 56.01 54.29 2kum n LEU 84 Cb 1.34 -0.06 -0.03 0.00 -0.00 0.00 0.00 43.42 44.66 2kum n LEU 84 CO 0.39 0.39 1.39 -0.13 -0.00 0.00 0.00 177.39 179.44 2kum s ARG 85 N -0.96 2.96 -1.08 1.47 0.52 -0.53 -3.15 118.95 118.17 2kum s ARG 85 Ca 0.05 -0.06 0.00 0.00 -0.52 0.00 0.00 55.73 55.19 2kum s ARG 85 Cb 0.04 -4.53 0.00 0.00 0.52 0.00 0.00 34.95 30.98 2kum s ARG 85 CO 0.00 -2.53 0.00 1.63 0.02 0.00 0.00 175.30 174.42 2kum n LYS 86 N 9.18 -1.47 -0.06 3.54 5.02 -1.26 -4.74 118.16 128.37 2kum n LYS 86 Ca 0.18 0.83 0.02 0.00 -2.02 0.00 0.00 58.31 57.32 2kum n LYS 86 Cb 0.50 -5.12 0.02 0.00 -0.02 0.00 0.00 35.03 30.42 2kum n LYS 86 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2kum n MET 87 N -1.18 1.70 0.00 1.97 2.81 -1.20 -5.23 117.12 115.98 2kum n MET 87 Ca -0.10 -1.40 0.00 0.00 -1.81 0.00 0.00 57.70 54.39 2kum n MET 87 Cb 0.53 -0.92 0.00 0.00 -0.71 0.00 0.00 33.22 32.12 2kum n MET 87 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89