#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 -0.33 5.98 0.05 -1.26 -5.09 118.68 120.22 2kum s LEU 2 Ca 0.00 -0.61 -0.29 0.00 0.05 0.00 0.00 54.13 53.28 2kum s LEU 2 Cb 0.00 -1.25 -0.00 0.00 -2.05 0.00 0.00 46.19 42.89 2kum s LEU 2 CO 0.00 0.24 1.48 -0.76 -0.55 0.00 0.00 176.35 176.75 2kum s LEU 3 N -1.36 3.71 0.57 1.48 2.01 -1.26 -4.99 118.68 118.84 2kum s LEU 3 Ca 0.12 1.15 -0.20 0.00 0.01 0.00 0.00 54.13 55.21 2kum s LEU 3 Cb -0.10 -3.54 -0.05 0.00 0.01 0.00 0.00 46.19 42.52 2kum s LEU 3 CO 0.03 -1.34 1.21 -2.65 1.01 0.00 0.00 176.35 174.60 2kum n PRO 4 N 7.84 1.34 -1.66 1.29 -0.02 -1.26 -4.88 135.00 137.65 2kum n PRO 4 Ca 0.17 0.50 -0.48 0.00 -2.02 0.00 0.00 63.50 61.68 2kum n PRO 4 Cb 0.47 -2.41 -0.05 0.00 -0.02 0.00 0.00 33.50 31.49 2kum n PRO 4 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2kum n PRO 5 N -1.07 1.95 -1.94 0.52 -0.02 -1.26 -1.49 135.00 131.70 2kum n PRO 5 Ca 0.12 0.71 -0.16 0.00 -2.02 0.00 0.00 63.50 62.15 2kum n PRO 5 Cb 0.45 -2.47 -0.03 0.00 -0.02 0.00 0.00 33.50 31.43 2kum n PRO 5 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2kum n SER 6 N 3.98 -4.79 -3.99 2.55 7.64 -1.26 -4.95 113.62 112.80 2kum n SER 6 Ca 0.19 0.16 -0.32 0.00 1.01 0.00 0.00 58.87 59.91 2kum n SER 6 Cb 0.27 -3.81 -0.11 0.00 -1.01 0.00 0.00 64.21 59.55 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 -2.70 3.29 -0.93 0.44 2.01 -0.56 -5.04 115.64 112.16 2kum s THR 7 Ca 0.00 -3.77 -0.18 0.00 0.31 0.00 0.00 61.69 58.05 2kum s THR 7 Cb 0.00 -3.15 0.14 0.00 0.01 0.00 0.00 72.50 69.51 2kum s THR 7 CO 0.00 -0.96 1.10 0.00 -0.69 0.00 0.00 174.62 174.07 2kum s ALA 8 N -0.96 3.48 -0.44 7.40 0.00 -1.26 -4.61 121.76 125.37 2kum s ALA 8 Ca 0.22 -2.86 0.07 0.00 0.00 0.00 0.00 51.96 49.40 2kum s ALA 8 Cb -0.12 -3.99 0.27 0.00 0.00 0.00 0.00 23.12 19.27 2kum s ALA 8 CO -0.10 -2.89 0.79 0.00 0.00 0.00 0.00 175.76 173.56 2kum n THR 11 N 2.11 0.16 -2.85 0.00 -2.24 -1.26 -4.86 114.28 105.34 2kum n THR 11 Ca -0.11 -0.09 -0.43 0.00 -2.27 0.00 0.00 64.05 61.15 2kum n THR 11 Cb 0.52 -0.85 -0.04 0.00 -2.10 0.00 0.00 70.33 67.86 2kum n THR 11 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kum s GLN 12 N -2.06 3.18 0.17 -0.78 1.03 -1.26 -5.02 119.66 114.92 2kum s GLN 12 Ca -0.02 -0.94 -0.21 0.00 0.04 0.00 0.00 55.36 54.23 2kum s GLN 12 Cb 0.01 -4.34 -0.08 0.00 0.03 0.00 0.00 33.01 28.63 2kum s GLN 12 CO 0.09 -1.83 0.70 -0.51 -2.54 0.00 0.00 175.29 171.19 2kum s LEU 13 N 3.98 4.48 0.53 2.60 1.43 -1.26 -4.81 118.68 125.63 2kum s LEU 13 Ca 0.24 1.45 0.32 0.00 -1.03 0.00 0.00 54.13 55.11 2kum s LEU 13 Cb -0.15 -3.31 1.38 0.00 0.03 0.00 0.00 46.19 44.14 2kum s LEU 13 CO 0.07 0.15 2.00 0.22 0.23 0.00 0.00 176.35 179.02 2kum h TYR 14 N 4.00 0.00 -4.89 0.29 3.20 -0.88 -3.46 116.97 115.23 2kum h TYR 14 Ca -0.48 0.00 -0.19 0.00 3.14 0.00 0.00 58.73 61.20 2kum h TYR 14 Cb 1.20 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 39.42 2kum h TYR 14 CO 0.65 0.07 -0.27 2.89 -1.64 0.00 0.00 178.16 179.86 2kum n ARG 15 N -3.23 -2.65 -3.91 1.82 1.85 -1.26 -4.91 116.66 104.36 2kum n ARG 15 Ca -0.00 0.28 -0.10 0.00 -1.00 0.00 0.00 57.85 57.03 2kum n ARG 15 Cb 0.30 -4.86 -0.10 0.00 -1.05 0.00 0.00 32.46 26.75 2kum n ARG 15 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2kum s LYS 16 N -5.37 0.41 0.23 2.89 1.02 -1.26 -5.10 119.74 112.56 2kum s LYS 16 Ca 0.14 -0.46 -0.30 0.00 0.02 0.00 0.00 55.97 55.37 2kum s LYS 16 Cb -0.08 0.16 -0.09 0.00 -0.52 0.00 0.00 37.83 37.31 2kum s LYS 16 CO 0.17 -0.09 1.20 -2.14 -0.92 0.00 0.00 175.35 173.57 2kum s PRO 17 N -1.37 4.50 0.47 -1.68 0.02 -1.26 -4.96 135.00 130.72 2kum s PRO 17 Ca -0.15 1.93 -0.03 0.00 0.02 0.00 0.00 61.00 62.77 2kum s PRO 17 Cb -0.08 -3.20 -0.02 0.00 0.02 0.00 0.00 34.50 31.22 2kum s PRO 17 CO 0.01 -0.05 0.73 -0.51 -0.33 0.00 0.00 177.00 176.85 2kum s LEU 18 N -0.72 3.63 0.08 -5.54 1.43 -1.26 -5.08 118.68 111.22 2kum s LEU 18 Ca 0.51 0.61 -0.10 0.00 -1.03 0.00 0.00 54.13 54.12 2kum s LEU 18 Cb -0.34 -3.50 -0.06 0.00 0.03 0.00 0.00 46.19 42.32 2kum s LEU 18 CO 0.40 -0.66 0.41 -0.44 0.23 0.00 0.00 176.35 176.30 2kum s SER 19 N -4.16 6.66 0.33 2.29 0.01 -1.26 -4.98 113.70 112.59 2kum s SER 19 Ca 0.48 0.82 0.01 0.00 1.31 0.00 0.00 55.95 58.56 2kum s SER 19 Cb -0.10 -2.19 0.58 0.00 0.21 0.00 0.00 66.02 64.52 2kum s SER 19 CO 0.41 0.17 1.99 -0.78 0.41 0.00 0.00 173.24 175.44 2kum h ASP 20 N 3.70 0.80 -0.42 2.44 3.58 -1.98 0.66 116.42 125.20 2kum h ASP 20 Ca -0.49 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 56.94 2kum h ASP 20 Cb 1.19 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 42.02 2kum h ASP 20 CO 0.66 0.57 0.28 0.11 -2.88 0.00 0.00 179.24 177.99 2kum h LYS 21 N 0.94 0.56 0.00 0.28 1.57 -1.99 0.85 116.57 118.78 2kum h LYS 21 Ca 0.26 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.89 2kum h LYS 21 Cb -0.09 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 2kum h LYS 21 CO -0.06 0.37 -0.57 1.37 -0.57 0.00 0.00 179.45 179.99 2kum h LEU 22 N 0.57 0.00 -0.77 2.94 8.10 -1.84 -3.21 115.31 121.11 2kum h LEU 22 Ca 0.16 0.00 -0.09 0.00 0.11 0.00 0.00 57.88 58.05 2kum h LEU 22 Cb -0.07 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.13 2kum h LEU 22 CO -0.03 0.57 -0.08 -0.07 -4.11 0.00 0.00 178.44 174.72 2kum h LEU 23 N 0.00 0.84 0.00 0.17 3.38 0.04 -2.48 115.31 117.26 2kum h LEU 23 Ca -0.01 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2kum h LEU 23 Cb 1.16 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.68 2kum h LEU 23 CO 0.07 0.95 0.00 -2.11 0.09 0.00 0.00 178.44 177.44 2kum n ARG 24 N -4.17 0.35 -0.01 1.13 1.85 0.21 -0.24 116.66 115.78 2kum n ARG 24 Ca 0.02 0.00 0.02 0.00 -1.00 0.00 0.00 57.85 56.88 2kum n ARG 24 Cb 0.36 -1.29 0.02 0.00 -1.05 0.00 0.00 32.46 30.50 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 -0.79 0.19 -2.71 2.89 5.02 -0.94 -4.51 118.16 117.32 2kum n LYS 25 Ca 0.05 -0.89 -0.42 0.00 -2.02 0.00 0.00 58.31 55.02 2kum n LYS 25 Cb 0.02 -1.06 -0.03 0.00 -0.02 0.00 0.00 35.03 33.94 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 -0.42 4.13 -0.29 -0.18 1.01 0.67 -3.52 120.40 121.80 2kum s VAL 26 Ca 0.04 -0.49 0.26 0.00 0.00 0.00 0.00 61.98 61.79 2kum s VAL 26 Cb 0.03 -4.86 0.35 0.00 0.00 0.00 0.00 36.38 31.90 2kum s VAL 26 CO 0.04 -1.70 1.72 0.16 0.00 0.00 0.00 175.10 175.31 2kum h ILE 27 N 6.17 0.00 -3.77 2.22 3.07 -1.54 -3.44 117.51 120.23 2kum h ILE 27 Ca -0.07 -0.86 -0.38 0.00 1.55 0.00 0.00 64.86 65.10 2kum h ILE 27 Cb 1.04 1.85 -0.31 0.00 -0.27 0.00 0.00 36.82 39.14 2kum h ILE 27 CO 1.26 0.00 -0.77 -1.10 -1.05 0.00 0.00 178.15 176.49 2kum s GLN 28 N -3.34 0.70 -0.24 0.16 -1.52 -0.21 -4.84 119.66 110.38 2kum s GLN 28 Ca 0.05 -0.20 -0.01 0.00 -1.95 0.00 0.00 55.36 53.26 2kum s GLN 28 Cb 0.06 -0.68 0.03 0.00 -0.22 0.00 0.00 33.01 32.20 2kum s GLN 28 CO 0.63 0.06 -0.09 0.08 -0.25 0.00 0.00 175.29 175.73 2kum s VAL 29 N 0.26 2.65 0.00 1.09 1.01 -1.26 -0.28 120.40 123.87 2kum s VAL 29 Ca -0.03 -1.10 0.05 0.00 0.00 0.00 0.00 61.98 60.90 2kum s VAL 29 Cb -0.08 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.95 2kum s VAL 29 CO 0.00 0.22 -0.17 -1.83 0.00 0.00 0.00 175.10 173.32 2kum s GLU 30 N 1.29 1.29 -0.20 2.72 -1.05 -0.69 -4.55 118.70 117.51 2kum s GLU 30 Ca -0.00 -0.67 -0.15 0.00 -0.15 0.00 0.00 54.97 53.99 2kum s GLU 30 Cb -0.17 -1.27 -0.04 0.00 -0.44 0.00 0.00 34.13 32.21 2kum s GLU 30 CO -0.06 0.34 0.37 -1.17 0.95 0.00 0.00 175.26 175.70 2kum s LEU 31 N -0.62 4.16 -0.38 1.83 2.96 -1.26 -1.18 118.68 124.19 2kum s LEU 31 Ca 0.06 0.49 -0.21 0.00 -0.22 0.00 0.00 54.13 54.25 2kum s LEU 31 Cb -0.07 -2.47 0.01 0.00 0.50 0.00 0.00 46.19 44.15 2kum s LEU 31 CO 0.00 -0.05 0.65 -1.58 -1.32 0.00 0.00 176.35 174.05 2kum s GLN 32 N 1.21 3.58 0.22 1.98 0.74 0.13 -4.97 119.66 122.54 2kum s GLN 32 Ca 0.18 -0.04 -0.30 0.00 0.05 0.00 0.00 55.36 55.25 2kum s GLN 32 Cb -0.14 -3.85 -0.08 0.00 1.10 0.00 0.00 33.01 30.03 2kum s GLN 32 CO 0.07 -0.82 0.95 -1.21 -0.55 0.00 0.00 175.29 173.74 2kum s GLU 33 N 2.77 4.81 0.00 1.67 2.02 -1.26 -0.99 118.70 127.72 2kum s GLU 33 Ca 0.24 1.50 0.24 0.00 0.02 0.00 0.00 54.97 56.97 2kum s GLU 33 Cb -0.14 -3.29 1.24 0.00 0.10 0.00 0.00 34.13 32.03 2kum s GLU 33 CO 0.16 0.44 1.78 0.00 0.02 0.00 0.00 175.26 177.66 2kum n ALA 34 N 1.74 2.24 0.00 5.21 0.00 -1.25 -3.24 120.51 125.20 2kum n ALA 34 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2kum n ALA 34 Cb 0.47 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 -1.22 0.84 0.00 0.00 2.03 -1.04 -3.79 116.55 113.37 2kum n ASP 35 Ca 0.13 -0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.37 2kum n ASP 35 Cb 0.16 0.31 0.00 0.00 -0.72 0.00 0.00 41.12 40.87 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 0.56 0.96 0.88 0.27 0.00 -1.20 -4.60 105.19 102.06 2kum n GLY 36 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 2kum n GLY 36 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kum n ASP 37 N -0.11 2.70 -2.94 1.61 8.00 -1.26 -4.97 116.55 119.59 2kum n ASP 37 Ca 0.00 -1.87 -0.09 0.00 0.71 0.00 0.00 54.79 53.53 2kum n ASP 37 Cb 0.00 -0.10 0.02 0.00 -0.02 0.00 0.00 41.12 41.02 2kum n ASP 37 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kum n HIS 39 N -0.53 0.81 -4.09 0.00 1.44 -1.25 -2.50 115.22 109.11 2kum n HIS 39 Ca -0.08 -0.61 -0.18 0.00 -2.01 0.00 0.00 57.72 54.84 2kum n HIS 39 Cb 0.60 -0.13 -0.16 0.00 0.12 0.00 0.00 29.99 30.42 2kum n HIS 39 CO 0.00 0.00 0.00 -1.17 -2.81 0.00 0.00 176.34 172.36 2kum s LEU 40 N -1.58 1.38 -0.14 2.39 1.98 -1.25 -4.83 118.68 116.63 2kum s LEU 40 Ca 0.35 -0.09 -0.23 0.00 -2.89 0.00 0.00 54.13 51.27 2kum s LEU 40 Cb 0.22 -0.34 -0.03 0.00 0.66 0.00 0.00 46.19 46.71 2kum s LEU 40 CO 0.17 -0.05 0.72 -1.58 -1.89 0.00 0.00 176.35 173.72 2kum s GLN 41 N 0.78 4.32 0.10 1.98 0.74 -1.26 -3.83 119.66 122.50 2kum s GLN 41 Ca -0.09 0.84 -0.05 0.00 0.05 0.00 0.00 55.36 56.11 2kum s GLN 41 Cb -0.12 -3.53 -0.02 0.00 1.10 0.00 0.00 33.01 30.44 2kum s GLN 41 CO -0.00 -0.15 0.11 0.00 -0.55 0.00 0.00 175.29 174.69 2kum s ALA 42 N 1.57 0.26 -0.31 1.58 0.00 -0.16 -4.44 121.76 120.26 2kum s ALA 42 Ca 0.35 -1.02 0.02 0.00 0.00 0.00 0.00 51.96 51.31 2kum s ALA 42 Cb -0.17 0.56 0.08 0.00 0.00 0.00 0.00 23.12 23.59 2kum s ALA 42 CO 0.14 -0.49 -0.01 -0.06 0.00 0.00 0.00 175.76 175.35 2kum s PHE 43 N -3.93 3.45 -0.19 0.00 0.08 0.22 0.17 117.98 117.77 2kum s PHE 43 Ca 0.11 -2.45 -0.08 0.00 0.12 0.00 0.00 56.93 54.63 2kum s PHE 43 Cb 0.06 -2.40 -0.04 0.00 -0.57 0.00 0.00 43.02 40.06 2kum s PHE 43 CO -0.06 -0.90 0.08 0.08 -0.10 0.00 0.00 175.22 174.32 2kum s VAL 44 N 1.07 4.92 -0.26 -0.44 1.01 -0.33 -1.17 120.40 125.21 2kum s VAL 44 Ca -0.00 0.02 -0.10 0.00 0.00 0.00 0.00 61.98 61.89 2kum s VAL 44 Cb -0.20 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 2kum s VAL 44 CO -0.05 0.45 0.15 -0.76 0.00 0.00 0.00 175.10 174.88 2kum s LEU 45 N 0.44 3.87 -0.34 3.92 1.43 -0.01 -1.70 118.68 126.29 2kum s LEU 45 Ca 0.04 -0.04 -0.07 0.00 -1.03 0.00 0.00 54.13 53.03 2kum s LEU 45 Cb -0.12 -2.06 0.04 0.00 0.03 0.00 0.00 46.19 44.08 2kum s LEU 45 CO 0.00 -0.02 0.12 -2.28 0.23 0.00 0.00 176.35 174.40 2kum s HIS 46 N 1.55 3.25 0.48 0.29 2.46 0.61 -0.69 115.29 123.25 2kum s HIS 46 Ca 0.07 -1.37 0.01 0.00 0.47 0.00 0.00 55.06 54.24 2kum s HIS 46 Cb -0.15 -2.29 0.01 0.00 -0.13 0.00 0.00 32.58 30.01 2kum s HIS 46 CO 0.08 -0.72 0.69 -0.51 -2.47 0.00 0.00 174.74 171.81 2kum s LEU 47 N 1.42 3.53 0.00 8.88 1.02 0.13 -1.04 118.68 132.61 2kum s LEU 47 Ca -0.01 0.13 0.27 0.00 0.02 0.00 0.00 54.13 54.53 2kum s LEU 47 Cb -0.19 -3.01 1.37 0.00 0.02 0.00 0.00 46.19 44.37 2kum s LEU 47 CO 0.03 -0.85 1.91 0.00 0.02 0.00 0.00 176.35 177.46 2kum n ALA 48 N -2.14 2.34 0.00 4.21 0.00 -1.23 -2.94 120.51 120.76 2kum n ALA 48 Ca 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2kum n ALA 48 Cb 0.58 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 -1.26 5.68 -3.92 0.00 3.00 -1.26 -5.11 117.38 114.52 2kum n GLN 49 Ca 0.13 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 57.14 2kum n GLN 49 Cb 0.20 -0.51 0.01 0.00 0.00 0.00 0.00 30.24 29.95 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 -1.00 0.51 -0.01 -1.09 1.70 -1.15 -5.17 118.95 112.74 2kum s ARG 50 Ca 0.00 -0.32 -0.00 0.00 -0.47 0.00 0.00 55.73 54.94 2kum s ARG 50 Cb 0.00 0.15 0.01 0.00 -0.57 0.00 0.00 34.95 34.53 2kum s ARG 50 CO 0.00 -0.24 0.01 -1.12 -1.08 0.00 0.00 175.30 172.87 2kum s SER 51 N -3.63 0.02 -0.04 -2.89 0.01 -1.26 0.17 113.70 106.08 2kum s SER 51 Ca 0.26 0.01 0.05 0.00 1.31 0.00 0.00 55.95 57.59 2kum s SER 51 Cb 0.00 -0.02 -0.02 0.00 0.21 0.00 0.00 66.02 66.19 2kum s SER 51 CO -0.00 -0.04 -0.20 -0.63 0.41 0.00 0.00 173.24 172.78 2kum s ILE 52 N 0.33 2.57 -0.26 1.44 1.01 0.14 -4.96 121.20 121.46 2kum s ILE 52 Ca -0.03 -0.90 -0.09 0.00 0.00 0.00 0.00 60.65 59.63 2kum s ILE 52 Cb -0.04 -1.97 -0.04 0.00 0.01 0.00 0.00 42.46 40.42 2kum s ILE 52 CO -0.01 0.58 0.14 0.00 0.00 0.00 0.00 174.94 175.65 2kum s ILE 54 N 1.62 2.95 0.17 0.00 1.01 -0.31 -0.11 121.20 126.53 2kum s ILE 54 Ca 0.07 -1.00 -0.26 0.00 0.00 0.00 0.00 60.65 59.46 2kum s ILE 54 Cb -0.15 -2.22 -0.08 0.00 0.01 0.00 0.00 42.46 40.02 2kum s ILE 54 CO 0.08 0.42 0.80 -2.28 0.00 0.00 0.00 174.94 173.96 2kum s HIS 55 N -0.87 3.91 0.73 3.97 5.65 -1.26 -0.61 115.29 126.80 2kum s HIS 55 Ca 0.14 1.67 -0.16 0.00 0.25 0.00 0.00 55.06 56.96 2kum s HIS 55 Cb -0.11 -2.80 0.04 0.00 -1.18 0.00 0.00 32.58 28.53 2kum s HIS 55 CO 0.04 0.50 1.25 -1.25 -0.65 0.00 0.00 174.74 174.63 2kum s PRO 56 N -1.11 2.11 0.00 2.88 0.04 -1.26 -2.57 135.00 135.09 2kum s PRO 56 Ca 0.37 1.90 0.00 0.00 0.04 0.00 0.00 61.00 63.30 2kum s PRO 56 Cb -0.23 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.49 2kum s PRO 56 CO 0.27 -1.89 0.00 1.04 0.04 0.00 0.00 177.00 176.46 2kum n GLN 57 N -2.60 -0.82 -3.07 4.56 6.02 -1.26 -5.00 117.38 115.22 2kum n GLN 57 Ca 0.15 0.20 -0.40 0.00 -0.01 0.00 0.00 57.00 56.94 2kum n GLN 57 Cb 0.49 -3.85 -0.05 0.00 1.02 0.00 0.00 30.24 27.86 2kum n GLN 57 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2kum s ASN 58 N -2.04 6.83 0.41 1.08 -0.87 -1.06 -4.96 114.94 114.32 2kum s ASN 58 Ca 0.00 1.00 0.16 0.00 -1.57 0.00 0.00 52.86 52.45 2kum s ASN 58 Cb 0.00 -2.38 1.04 0.00 -0.02 0.00 0.00 41.25 39.89 2kum s ASN 58 CO 0.00 -0.22 1.86 -0.65 -2.57 0.00 0.00 177.10 175.52 2kum h PRO 59 N 7.16 0.44 -0.12 -0.60 0.11 -1.94 -1.55 132.00 135.49 2kum h PRO 59 Ca -0.35 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.77 2kum h PRO 59 Cb 1.16 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 2kum h PRO 59 CO 0.78 0.29 0.10 1.03 -0.21 0.00 0.00 178.00 179.98 2kum h SER 60 N 0.45 0.00 0.07 -2.05 0.87 -1.93 0.18 113.55 111.14 2kum h SER 60 Ca 0.46 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.92 2kum h SER 60 Cb 1.09 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.06 2kum h SER 60 CO -0.18 0.00 -0.49 0.25 -0.53 0.00 0.00 176.83 175.88 2kum h LEU 61 N 0.00 0.24 -0.33 2.23 7.12 -1.63 -2.55 115.31 120.38 2kum h LEU 61 Ca 0.06 -0.96 -0.02 0.00 0.13 0.00 0.00 57.88 57.10 2kum h LEU 61 Cb 0.25 -0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 40.29 2kum h LEU 61 CO -0.00 1.23 0.14 -1.28 -0.13 0.00 0.00 178.44 178.40 2kum h SER 62 N -0.68 0.45 0.29 1.25 0.87 -1.43 -1.04 113.55 113.27 2kum h SER 62 Ca -0.09 -0.15 -0.03 0.00 -1.23 0.00 0.00 61.79 60.28 2kum h SER 62 Cb 1.35 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 63.18 2kum h SER 62 CO 0.07 0.48 -0.16 0.06 -0.53 0.00 0.00 176.83 176.75 2kum h GLN 63 N 0.40 0.00 -0.10 2.24 3.07 -0.81 -1.61 115.11 118.30 2kum h GLN 63 Ca 0.11 0.00 -0.14 0.00 0.09 0.00 0.00 58.65 58.71 2kum h GLN 63 Cb 0.16 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.71 2kum h GLN 63 CO -0.01 0.16 -0.56 2.35 0.09 0.00 0.00 178.83 180.86 2kum h TRP 64 N 0.00 0.38 -0.63 0.06 -0.00 -0.82 0.43 115.95 115.36 2kum h TRP 64 Ca -0.00 -0.14 0.00 0.00 -0.00 0.00 0.00 58.89 58.76 2kum h TRP 64 Cb 0.35 -0.07 -0.03 0.00 -0.00 0.00 0.00 29.16 29.40 2kum h TRP 64 CO 0.00 0.79 0.40 0.74 -0.00 0.00 0.00 178.44 180.38 2kum h PHE 65 N 0.23 0.81 -0.10 2.65 0.04 -0.22 0.90 116.94 121.25 2kum h PHE 65 Ca 0.00 0.01 -0.15 0.00 2.80 0.00 0.00 57.97 60.64 2kum h PHE 65 Cb 1.06 -0.27 0.01 0.00 2.20 0.00 0.00 35.95 38.94 2kum h PHE 65 CO 0.02 0.52 -0.52 0.93 -0.60 0.00 0.00 178.31 178.67 2kum h GLU 66 N 0.86 0.52 -0.23 1.51 4.39 -1.32 -2.80 114.58 117.52 2kum h GLU 66 Ca 0.23 -0.43 -0.17 0.00 0.34 0.00 0.00 59.36 59.33 2kum h GLU 66 Cb -0.07 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.66 2kum h GLU 66 CO -0.05 1.06 -0.54 0.45 -1.16 0.00 0.00 179.01 178.77 2kum h HIS 67 N 0.12 0.84 -0.89 4.33 3.86 -0.41 -2.86 115.15 120.15 2kum h HIS 67 Ca -0.04 -0.30 0.01 0.00 -1.16 0.00 0.00 60.37 58.88 2kum h HIS 67 Cb 1.16 -0.16 -0.04 0.00 1.06 0.00 0.00 27.41 29.43 2kum h HIS 67 CO 0.11 1.07 0.59 0.37 0.86 0.00 0.00 177.93 180.93 2kum h GLN 68 N 0.52 1.18 -0.83 2.45 -0.00 0.72 -1.06 115.11 118.09 2kum h GLN 68 Ca 0.01 -0.07 0.16 0.00 -0.00 0.00 0.00 58.65 58.75 2kum h GLN 68 Cb 1.11 -0.26 -0.06 0.00 0.00 0.00 0.00 27.48 28.27 2kum h GLN 68 CO 0.11 0.78 0.55 1.49 0.00 0.00 0.00 178.83 181.76 2kum h GLU 69 N 1.21 0.47 -0.40 1.69 4.57 -1.27 -1.83 114.58 119.02 2kum h GLU 69 Ca 0.33 -0.03 -0.23 0.00 -1.18 0.00 0.00 59.36 58.25 2kum h GLU 69 Cb -0.13 -0.11 -0.14 0.00 -0.16 0.00 0.00 28.75 28.21 2kum h GLU 69 CO -0.07 0.31 -0.15 2.89 -1.18 0.00 0.00 179.01 180.81 2kum n ARG 70 N -4.51 2.03 -0.41 1.92 1.85 -0.51 -4.92 116.66 112.11 2kum n ARG 70 Ca 0.16 -3.32 0.00 0.00 -1.00 0.00 0.00 57.85 53.70 2kum n ARG 70 Cb 0.56 -1.87 0.00 0.00 -1.05 0.00 0.00 32.46 30.10 2kum n ARG 70 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 2kum n LYS 71 N -1.08 0.00 0.00 2.89 4.81 -0.56 -5.01 118.16 119.21 2kum n LYS 71 Ca 0.35 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.79 2kum n LYS 71 Cb 0.99 0.00 0.00 0.00 0.02 0.00 0.00 35.03 36.04 2kum n LYS 71 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2kum n LEU 72 N 0.00 0.00 0.00 3.14 4.32 -1.26 -3.45 117.00 119.75 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 0.00 1.57 -1.22 0.00 0.00 177.39 177.74 2kum n HIS 73 N 0.00 0.00 0.00 -1.77 -0.00 -1.26 -4.95 115.22 107.24 2kum n HIS 73 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2kum n HIS 73 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 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 1.02 3.65 1.57 0.00 -1.22 -5.09 105.19 105.11 2kum n GLY 74 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.00 4.32 0.02 2.61 -4.23 -1.26 -5.00 115.64 110.10 2kum s THR 75 Ca 0.00 1.56 -0.06 0.00 -1.18 0.00 0.00 61.69 62.01 2kum s THR 75 Cb 0.00 -4.13 -0.01 0.00 1.34 0.00 0.00 72.50 69.70 2kum s THR 75 CO 0.00 -0.28 0.10 -1.48 -0.54 0.00 0.00 174.62 172.42 2kum s LEU 76 N 3.74 1.75 0.18 4.79 0.05 -1.26 -4.93 118.68 122.99 2kum s LEU 76 Ca 0.53 -0.38 -0.27 0.00 0.05 0.00 0.00 54.13 54.06 2kum s LEU 76 Cb -0.18 0.56 -0.08 0.00 -2.05 0.00 0.00 46.19 44.44 2kum s LEU 76 CO 0.16 -0.42 0.84 -2.16 -0.55 0.00 0.00 176.35 174.22 2kum s PRO 77 N -1.89 4.66 -1.34 1.48 0.04 -1.26 -4.97 135.00 131.72 2kum s PRO 77 Ca -0.11 1.27 -0.08 0.00 0.04 0.00 0.00 61.00 62.12 2kum s PRO 77 Cb -0.05 -3.28 0.12 0.00 0.04 0.00 0.00 34.50 31.32 2kum s PRO 77 CO -0.01 0.52 2.18 1.17 0.04 0.00 0.00 177.00 180.90 2kum n LYS 78 N 1.71 3.89 -0.11 4.56 3.00 -1.26 -4.27 118.16 125.69 2kum n LYS 78 Ca -0.04 -3.30 0.03 0.00 -0.00 0.00 0.00 58.31 55.00 2kum n LYS 78 Cb 0.48 -2.85 0.04 0.00 0.00 0.00 0.00 35.03 32.70 2kum n LYS 78 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 2kum n LEU 79 N 3.31 1.29 -2.99 3.14 -0.00 -1.26 -5.06 117.00 115.43 2kum n LEU 79 Ca 0.52 -1.66 -0.05 0.00 -0.00 0.00 0.00 56.01 54.82 2kum n LEU 79 Cb 0.31 -0.11 0.00 0.00 -0.00 0.00 0.00 43.42 43.62 2kum n LEU 79 CO 0.79 0.40 -0.42 -3.20 -0.00 0.00 0.00 177.39 174.95 2kum n ASN 80 N -0.55 -7.22 -0.71 1.45 5.15 -1.26 -4.89 115.26 107.24 2kum n ASN 80 Ca 0.04 0.79 0.08 0.00 -0.60 0.00 0.00 54.58 54.89 2kum n ASN 80 Cb 0.49 -3.52 0.24 0.00 -0.53 0.00 0.00 39.78 36.46 2kum n ASN 80 CO 0.00 0.00 0.00 2.22 1.40 0.00 0.00 177.26 180.88 2kum n PHE 81 N 0.75 0.44 0.42 1.20 1.16 -1.26 -3.92 117.46 116.24 2kum n PHE 81 Ca 0.00 -0.22 0.10 0.00 -1.87 0.00 0.00 57.45 55.46 2kum n PHE 81 Cb 0.31 0.00 0.41 0.00 -1.61 0.00 0.00 39.48 38.59 2kum n PHE 81 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2kum n GLY 82 N 1.16 -1.13 0.13 4.97 0.00 -1.26 -1.90 105.19 107.16 2kum n GLY 82 Ca 0.15 0.03 0.14 0.00 0.00 0.00 0.00 46.02 46.34 2kum n GLY 82 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2kum n MET 83 N -1.92 1.18 0.00 1.61 0.00 -1.25 -3.99 117.12 112.74 2kum n MET 83 Ca 0.02 -0.26 0.00 0.00 0.00 0.00 0.00 57.70 57.46 2kum n MET 83 Cb 0.19 -1.45 0.00 0.00 0.00 0.00 0.00 33.22 31.96 2kum n MET 83 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 2kum n LEU 84 N -0.64 0.00 -4.66 3.17 7.94 -0.80 -4.92 117.00 117.09 2kum n LEU 84 Ca 0.21 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.69 2kum n LEU 84 Cb 0.17 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.09 2kum n LEU 84 CO 0.16 0.00 1.59 -0.13 -1.11 0.00 0.00 177.39 177.90 2kum s ARG 85 N -1.25 4.14 -0.82 1.96 0.52 -0.87 -0.73 118.95 121.89 2kum s ARG 85 Ca 0.00 2.62 0.00 0.00 -0.52 0.00 0.00 55.73 57.83 2kum s ARG 85 Cb 0.00 -4.08 0.00 0.00 0.52 0.00 0.00 34.95 31.39 2kum s ARG 85 CO 0.00 -0.94 0.00 1.17 0.02 0.00 0.00 175.30 175.55 2kum n LYS 86 N 7.28 -1.23 -0.00 3.54 3.00 -1.26 -4.77 118.16 124.72 2kum n LYS 86 Ca 0.20 0.70 0.06 0.00 -0.00 0.00 0.00 58.31 59.27 2kum n LYS 86 Cb 0.41 -4.81 -0.08 0.00 0.00 0.00 0.00 35.03 30.55 2kum n LYS 86 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 2kum n MET 87 N -1.40 2.59 0.00 1.64 2.81 0.09 -5.23 117.12 117.62 2kum n MET 87 Ca -0.08 -0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.81 2kum n MET 87 Cb 0.43 -1.13 0.00 0.00 -0.71 0.00 0.00 33.22 31.81 2kum n MET 87 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89