#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kcx s ASP 2 N 0.00 5.82 -0.24 6.43 1.01 -1.26 -4.95 116.67 123.47 2kcx s ASP 2 Ca 0.00 -0.95 -0.08 0.00 0.71 0.00 0.00 52.55 52.23 2kcx s ASP 2 Cb 0.00 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.33 2kcx s ASP 2 CO 0.00 -2.12 0.09 -0.94 0.21 0.00 0.00 175.17 172.42 2kcx s SER 3 N 6.42 5.48 -0.21 0.27 1.04 -1.26 -4.93 113.70 120.51 2kcx s SER 3 Ca 0.57 -0.08 -0.12 0.00 0.48 0.00 0.00 55.95 56.80 2kcx s SER 3 Cb -0.04 -1.98 -0.05 0.00 0.10 0.00 0.00 66.02 64.05 2kcx s SER 3 CO -0.03 0.02 0.22 0.00 0.98 0.00 0.00 173.24 174.44 2kcx s ASP 5 N 0.75 6.51 0.00 0.00 2.15 -1.26 -4.18 116.67 120.65 2kcx s ASP 5 Ca 0.11 0.17 0.00 0.00 0.43 0.00 0.00 52.55 53.26 2kcx s ASP 5 Cb -0.13 -2.44 0.00 0.00 -0.30 0.00 0.00 42.92 40.06 2kcx s ASP 5 CO 0.03 -0.97 0.00 0.61 -0.17 0.00 0.00 175.17 174.68 2kcx n GLY 6 N 4.82 1.24 3.69 2.66 0.00 -1.26 -4.93 105.19 111.41 2kcx n GLY 6 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 2kcx n GLY 6 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kcx s VAL 7 N -0.30 4.08 -0.30 1.61 1.01 -1.26 -5.02 120.40 120.22 2kcx s VAL 7 Ca 0.00 1.43 -0.01 0.00 0.00 0.00 0.00 61.98 63.40 2kcx s VAL 7 Cb 0.00 -3.92 0.05 0.00 0.00 0.00 0.00 36.38 32.51 2kcx s VAL 7 CO 0.00 0.00 -0.01 -1.83 0.00 0.00 0.00 175.10 173.26 2kcx s GLU 8 N 2.24 2.42 -0.12 2.72 -1.05 -1.26 -4.83 118.70 118.82 2kcx s GLU 8 Ca 0.58 -1.27 -0.11 0.00 -0.15 0.00 0.00 54.97 54.02 2kcx s GLU 8 Cb -0.27 -3.16 0.03 0.00 -0.44 0.00 0.00 34.13 30.30 2kcx s GLU 8 CO 0.23 -0.61 0.33 0.00 0.95 0.00 0.00 175.26 176.16 2kcx n GLY 10 N 3.01 -0.83 3.71 0.00 0.00 0.29 -4.27 105.19 107.11 2kcx n GLY 10 Ca -0.14 0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 2kcx n GLY 10 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kcx s PRO 11 N -0.33 4.48 0.00 1.61 0.04 -1.26 -3.92 135.00 135.62 2kcx s PRO 11 Ca 0.00 1.68 0.00 0.00 0.04 0.00 0.00 61.00 62.72 2kcx s PRO 11 Cb 0.00 -3.37 0.00 0.00 0.04 0.00 0.00 34.50 31.17 2kcx s PRO 11 CO 0.00 -0.18 0.00 0.41 0.04 0.00 0.00 177.00 177.27 2kcx n GLY 12 N 3.04 1.48 3.23 0.56 0.00 -1.26 -4.87 105.19 107.38 2kcx n GLY 12 Ca 0.08 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 2kcx n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kcx s LYS 13 N 0.00 2.31 0.04 1.61 1.02 -1.25 0.01 119.74 123.47 2kcx s LYS 13 Ca 0.00 -0.83 0.06 0.00 0.02 0.00 0.00 55.97 55.22 2kcx s LYS 13 Cb 0.00 -1.98 -0.03 0.00 -0.52 0.00 0.00 37.83 35.29 2kcx s LYS 13 CO 0.00 0.36 -0.13 0.00 -0.92 0.00 0.00 175.35 174.66 2kcx s ALA 14 N -0.15 2.79 -0.37 5.17 0.00 -0.03 -0.55 121.76 128.63 2kcx s ALA 14 Ca -0.03 -1.14 -0.14 0.00 0.00 0.00 0.00 51.96 50.65 2kcx s ALA 14 Cb -0.13 -0.89 -0.00 0.00 0.00 0.00 0.00 23.12 22.10 2kcx s ALA 14 CO 0.03 0.60 0.30 0.00 0.00 0.00 0.00 175.76 176.69 2kcx s ARG 16 N 1.81 2.22 -0.50 0.00 1.81 0.74 -4.82 118.95 120.21 2kcx s ARG 16 Ca 0.08 -0.97 -0.23 0.00 -1.72 0.00 0.00 55.73 52.89 2kcx s ARG 16 Cb -0.18 -2.35 0.04 0.00 -0.45 0.00 0.00 34.95 32.01 2kcx s ARG 16 CO 0.11 0.52 0.80 -1.64 -0.68 0.00 0.00 175.30 174.41 2kcx s MET 17 N -2.15 3.31 -0.35 3.54 -1.94 -1.26 -0.09 119.30 120.37 2kcx s MET 17 Ca 0.22 -0.33 -0.00 0.00 -1.71 0.00 0.00 55.69 53.86 2kcx s MET 17 Cb -0.11 -4.01 0.09 0.00 2.01 0.00 0.00 34.83 32.81 2kcx s MET 17 CO 0.14 -1.27 0.08 -0.51 -0.01 0.00 0.00 175.02 173.45 2kcx s LEU 18 N 3.38 4.65 -0.76 -0.03 2.01 -0.81 -4.83 118.68 122.29 2kcx s LEU 18 Ca 0.27 -1.85 -0.04 0.00 0.01 0.00 0.00 54.13 52.52 2kcx s LEU 18 Cb -0.14 -1.72 -0.04 0.00 0.01 0.00 0.00 46.19 44.30 2kcx s LEU 18 CO 0.19 -0.40 0.67 0.61 1.01 0.00 0.00 176.35 178.43 2kcx n GLY 19 N 4.48 -0.79 4.36 -3.19 0.00 -1.26 -3.62 105.19 105.17 2kcx n GLY 19 Ca -0.04 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.36 2kcx n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kcx n GLY 20 N -1.37 1.42 3.68 -0.02 0.00 -1.26 -4.94 105.19 102.71 2kcx n GLY 20 Ca -0.04 -0.05 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 2kcx n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kcx s ARG 21 N 0.00 4.21 -0.47 1.61 3.00 -1.24 -5.05 118.95 121.02 2kcx s ARG 21 Ca 0.00 0.34 -0.29 0.00 0.00 0.00 0.00 55.73 55.78 2kcx s ARG 21 Cb 0.00 -3.53 0.03 0.00 0.00 0.00 0.00 34.95 31.45 2kcx s ARG 21 CO 0.00 -0.04 1.14 -1.25 0.00 0.00 0.00 175.30 175.15 2kcx s PRO 22 N 1.30 3.73 0.23 3.54 0.04 -1.26 -1.92 135.00 140.66 2kcx s PRO 22 Ca 0.22 0.59 0.03 0.00 0.04 0.00 0.00 61.00 61.89 2kcx s PRO 22 Cb -0.15 -3.90 -0.03 0.00 0.04 0.00 0.00 34.50 30.45 2kcx s PRO 22 CO 0.09 -1.37 0.36 -0.98 0.04 0.00 0.00 177.00 175.14 2kcx s ARG 23 N 4.44 3.45 -0.26 4.56 1.70 0.87 -4.83 118.95 128.88 2kcx s ARG 23 Ca 0.48 -0.64 -0.09 0.00 -0.47 0.00 0.00 55.73 55.01 2kcx s ARG 23 Cb -0.07 -2.88 -0.04 0.00 -0.57 0.00 0.00 34.95 31.39 2kcx s ARG 23 CO 0.31 0.42 0.12 0.00 -1.08 0.00 0.00 175.30 175.08 2kcx s GLU 25 N 1.59 1.66 -0.38 0.00 -1.05 0.07 -4.91 118.70 115.69 2kcx s GLU 25 Ca 0.06 -0.93 -0.28 0.00 -0.15 0.00 0.00 54.97 53.67 2kcx s GLU 25 Cb -0.15 -1.73 -0.07 0.00 -0.44 0.00 0.00 34.13 31.74 2kcx s GLU 25 CO 0.07 0.46 2.33 0.00 0.95 0.00 0.00 175.26 179.06 2kcx s ALA 27 N 10.13 3.33 -0.12 0.00 0.00 0.10 -4.90 121.76 130.30 2kcx s ALA 27 Ca 1.02 -0.78 -0.29 0.00 0.00 0.00 0.00 51.96 51.90 2kcx s ALA 27 Cb -0.33 -1.65 -0.03 0.00 0.00 0.00 0.00 23.12 21.11 2kcx s ALA 27 CO 0.32 0.43 1.38 -1.25 0.00 0.00 0.00 175.76 176.65 2kcx s PRO 28 N -0.39 4.23 0.43 0.00 0.04 -1.26 -4.20 135.00 133.83 2kcx s PRO 28 Ca 0.08 1.83 0.17 0.00 0.04 0.00 0.00 61.00 63.13 2kcx s PRO 28 Cb -0.12 -3.81 0.96 0.00 0.04 0.00 0.00 34.50 31.57 2kcx s PRO 28 CO 0.02 -0.73 1.91 -0.44 0.04 0.00 0.00 177.00 177.80 2kcx h ASP 29 N 8.53 0.00 0.00 6.66 3.32 -1.92 -3.46 116.42 129.55 2kcx h ASP 29 Ca -0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.74 2kcx h ASP 29 Cb 1.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.68 2kcx h ASP 29 CO 0.96 0.27 0.00 0.00 -1.72 0.00 0.00 179.24 178.75 2kcx n SER 31 N 1.33 2.73 0.00 0.00 2.88 -1.26 -1.45 113.62 117.85 2kcx n SER 31 Ca 0.00 0.50 0.00 0.00 -1.33 0.00 0.00 58.87 58.04 2kcx n SER 31 Cb 0.00 -1.36 0.00 0.00 -0.75 0.00 0.00 64.21 62.10 2kcx n SER 31 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kcx n GLY 32 N 5.79 1.72 3.15 0.46 0.00 -1.26 -5.11 105.19 109.93 2kcx n GLY 32 Ca 0.34 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.26 2kcx n GLY 32 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2kcx s LEU 33 N 0.00 1.87 -0.13 0.99 0.05 -0.53 -5.12 118.68 115.81 2kcx s LEU 33 Ca 0.00 -1.18 -0.35 0.00 0.05 0.00 0.00 54.13 52.65 2kcx s LEU 33 Cb 0.00 0.27 -0.12 0.00 -2.05 0.00 0.00 46.19 44.29 2kcx s LEU 33 CO 0.00 -0.71 1.88 -2.65 -0.55 0.00 0.00 176.35 174.32 2kcx n PRO 34 N -0.08 1.99 0.02 1.48 -0.02 -1.26 -4.88 135.00 132.25 2kcx n PRO 34 Ca -0.06 0.73 -0.00 0.00 -2.02 0.00 0.00 63.50 62.14 2kcx n PRO 34 Cb 0.63 -2.57 -0.10 0.00 -0.02 0.00 0.00 33.50 31.45 2kcx n PRO 34 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kcx n ALA 35 N 6.64 1.97 -0.03 3.55 0.00 -1.26 -2.75 120.51 128.62 2kcx n ALA 35 Ca 0.24 -0.61 -0.05 0.00 0.00 0.00 0.00 53.44 53.02 2kcx n ALA 35 Cb 0.27 -0.87 -0.03 0.00 0.00 0.00 0.00 19.45 18.82 2kcx n ALA 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kcx n ARG 36 N -2.82 0.45 -1.89 0.00 1.74 -1.26 -4.82 116.66 108.05 2kcx n ARG 36 Ca -0.11 0.04 -0.42 0.00 -0.77 0.00 0.00 57.85 56.58 2kcx n ARG 36 Cb 0.85 -1.14 -0.03 0.00 -1.02 0.00 0.00 32.46 31.12 2kcx n ARG 36 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2kcx s LEU 37 N -5.32 4.26 1.00 0.55 1.98 -1.26 -4.64 118.68 115.26 2kcx s LEU 37 Ca -0.09 2.29 -0.12 0.00 -2.89 0.00 0.00 54.13 53.32 2kcx s LEU 37 Cb 0.02 -3.53 0.15 0.00 0.66 0.00 0.00 46.19 43.49 2kcx s LEU 37 CO 0.17 -1.06 0.83 0.00 -1.89 0.00 0.00 176.35 174.40 2kcx n GLN 38 N 7.40 -0.98 -3.87 1.98 6.02 -1.19 -3.93 117.38 122.82 2kcx n GLN 38 Ca 0.19 -0.24 -0.11 0.00 -0.01 0.00 0.00 57.00 56.83 2kcx n GLN 38 Cb 0.43 -2.14 -0.11 0.00 1.02 0.00 0.00 30.24 29.44 2kcx n GLN 38 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 2kcx s VAL 39 N -2.49 0.07 -0.21 5.09 -7.23 -1.11 0.27 120.40 114.79 2kcx s VAL 39 Ca 0.64 -0.55 -0.08 0.00 -1.81 0.00 0.00 61.98 60.18 2kcx s VAL 39 Cb -0.22 -0.35 -0.04 0.00 0.56 0.00 0.00 36.38 36.33 2kcx s VAL 39 CO 0.63 -0.30 0.08 0.00 -0.31 0.00 0.00 175.10 175.19 2kcx s GLY 41 N 0.77 1.62 0.56 0.00 0.00 -0.68 -1.97 107.32 107.62 2kcx s GLY 41 Ca 0.04 -0.53 0.31 0.00 0.00 0.00 0.00 44.72 44.54 2kcx s GLY 41 CO 0.02 -0.18 1.85 1.76 0.00 0.00 0.00 173.10 176.56 2kcx h SER 42 N -0.53 0.00 0.03 1.64 0.02 -0.54 0.14 113.55 114.30 2kcx h SER 42 Ca -0.45 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.40 2kcx h SER 42 Cb 1.27 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.79 2kcx h SER 42 CO 0.63 0.00 -0.30 -0.78 -1.14 0.00 0.00 176.83 175.23 2kcx h ASP 43 N 0.00 0.42 0.00 3.07 3.58 -1.90 -3.47 116.42 118.12 2kcx h ASP 43 Ca 0.37 -0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.67 2kcx h ASP 43 Cb 1.65 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.59 2kcx h ASP 43 CO -0.00 0.71 0.00 0.61 -2.88 0.00 0.00 179.24 177.68 2kcx n GLY 44 N -0.31 1.00 3.73 -0.78 0.00 0.50 -5.10 105.19 104.22 2kcx n GLY 44 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 2kcx n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kcx s ALA 45 N -2.00 3.33 -0.40 4.61 0.00 -1.26 -4.76 121.76 121.28 2kcx s ALA 45 Ca 0.00 0.74 -0.24 0.00 0.00 0.00 0.00 51.96 52.46 2kcx s ALA 45 Cb 0.00 -3.34 0.02 0.00 0.00 0.00 0.00 23.12 19.80 2kcx s ALA 45 CO 0.00 -0.18 0.83 0.99 0.00 0.00 0.00 175.76 177.40 2kcx s THR 46 N -0.00 4.64 0.45 0.00 2.01 -1.26 -1.69 115.64 119.79 2kcx s THR 46 Ca 0.50 0.81 -0.03 0.00 0.31 0.00 0.00 61.69 63.27 2kcx s THR 46 Cb -0.27 -4.30 -0.03 0.00 0.01 0.00 0.00 72.50 67.91 2kcx s THR 46 CO 0.33 -0.59 0.72 -0.31 -0.69 0.00 0.00 174.62 174.08 2kcx s TYR 47 N 3.33 3.48 0.23 4.92 1.51 0.41 -4.98 117.35 126.25 2kcx s TYR 47 Ca 0.33 0.61 -0.07 0.00 -1.01 0.00 0.00 57.07 56.93 2kcx s TYR 47 Cb -0.12 -2.24 0.20 0.00 -0.11 0.00 0.00 41.96 39.69 2kcx s TYR 47 CO 0.20 -0.24 1.86 -0.09 -1.11 0.00 0.00 175.55 176.17 2kcx h ARG 48 N 0.34 1.23 -2.54 -0.62 2.43 -1.95 -2.94 114.38 110.33 2kcx h ARG 48 Ca -0.47 -0.14 0.14 0.00 -0.81 0.00 0.00 59.98 58.70 2kcx h ARG 48 Cb 1.22 -0.24 -0.05 0.00 -0.42 0.00 0.00 29.97 30.47 2kcx h ARG 48 CO 0.61 0.89 0.48 0.16 -1.51 0.00 0.00 179.97 180.60 2kcx s ASP 49 N -6.20 -0.09 0.34 -3.80 1.47 -1.26 -3.15 116.67 103.98 2kcx s ASP 49 Ca -0.13 -0.62 0.15 0.00 1.18 0.00 0.00 52.55 53.13 2kcx s ASP 49 Cb 0.17 0.56 0.57 0.00 -0.34 0.00 0.00 42.92 43.88 2kcx s ASP 49 CO 0.82 -1.08 1.70 -0.08 0.68 0.00 0.00 175.17 177.22 2kcx h GLU 50 N 2.00 0.00 -0.52 2.11 4.81 -1.63 -2.55 114.58 118.80 2kcx h GLU 50 Ca -0.26 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 58.85 2kcx h GLU 50 Cb 1.23 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.59 2kcx h GLU 50 CO 0.31 0.46 -0.15 0.00 -0.73 0.00 0.00 179.01 178.91 2kcx h GLU 52 N 0.90 0.44 -0.82 0.00 4.81 -1.86 -2.53 114.58 115.52 2kcx h GLU 52 Ca 0.13 -0.07 0.07 0.00 -0.13 0.00 0.00 59.36 59.36 2kcx h GLU 52 Cb 0.72 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.96 2kcx h GLU 52 CO 0.06 0.42 0.50 1.25 -0.73 0.00 0.00 179.01 180.50 2kcx h LEU 53 N 0.36 0.76 -0.98 1.64 6.46 -1.23 -0.66 115.31 121.66 2kcx h LEU 53 Ca 0.10 0.02 0.07 0.00 -0.12 0.00 0.00 57.88 57.96 2kcx h LEU 53 Cb 0.12 -0.13 -0.07 0.00 -0.73 0.00 0.00 40.66 39.85 2kcx h LEU 53 CO -0.01 0.48 0.63 -0.09 -0.62 0.00 0.00 178.44 178.83 2kcx h ARG 54 N 0.89 1.11 0.03 1.25 2.43 -0.88 -0.23 114.38 118.98 2kcx h ARG 54 Ca 0.37 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.47 2kcx h ARG 54 Cb 0.21 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 2kcx h ARG 54 CO -0.19 0.73 -0.01 0.00 -1.51 0.00 0.00 179.97 178.99 2kcx h ALA 55 N 1.45 -0.04 -0.94 2.80 0.00 -0.85 -3.07 119.26 118.61 2kcx h ALA 55 Ca 0.43 -0.14 0.13 0.00 0.00 0.00 0.00 54.91 55.33 2kcx h ALA 55 Cb 0.18 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.91 2kcx h ALA 55 CO -0.18 -0.39 0.60 0.00 0.00 0.00 0.00 179.25 179.28 2kcx h ALA 56 N 0.65 1.69 -0.57 0.00 0.00 -0.65 0.20 119.26 120.58 2kcx h ALA 56 Ca -0.00 0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.02 2kcx h ALA 56 Cb 0.29 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 17.84 2kcx h ALA 56 CO 0.01 0.07 0.15 -0.09 0.00 0.00 0.00 179.25 179.39 2kcx h ARG 57 N 0.83 0.29 0.03 0.00 9.65 -0.99 -2.42 114.38 121.77 2kcx h ARG 57 Ca 0.47 -0.02 -0.22 0.00 -1.10 0.00 0.00 59.98 59.11 2kcx h ARG 57 Cb 0.61 -0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 29.12 2kcx h ARG 57 CO -0.23 0.19 -0.98 0.00 2.80 0.00 0.00 179.97 181.74 2kcx h ARG 59 N 0.13 0.18 0.00 0.00 2.47 -0.38 -3.44 114.38 113.34 2kcx h ARG 59 Ca -0.07 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.64 2kcx h ARG 59 Cb 1.64 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.92 2kcx h ARG 59 CO 0.16 0.12 0.00 0.41 0.56 0.00 0.00 179.97 181.22 2kcx n GLY 60 N -1.17 0.00 2.60 0.04 0.00 -0.98 -5.10 105.19 100.58 2kcx n GLY 60 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 2kcx n GLY 60 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kcx s HIS 61 N 0.00 1.96 0.28 1.61 3.76 -0.95 -4.98 115.29 116.97 2kcx s HIS 61 Ca 0.00 -2.62 0.02 0.00 -0.15 0.00 0.00 55.06 52.31 2kcx s HIS 61 Cb 0.00 -1.60 0.39 0.00 1.11 0.00 0.00 32.58 32.48 2kcx s HIS 61 CO 0.00 -0.73 1.72 -1.35 -0.85 0.00 0.00 174.74 173.52 2kcx h PRO 62 N 5.78 0.50 0.00 8.40 0.11 -1.86 -2.96 132.00 141.97 2kcx h PRO 62 Ca 0.18 -0.19 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2kcx h PRO 62 Cb 0.87 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.95 2kcx h PRO 62 CO 0.49 0.71 0.00 -0.25 -0.21 0.00 0.00 178.00 178.74 2kcx n ASP 63 N -4.12 0.25 -4.60 -2.05 9.92 -1.26 -4.76 116.55 109.92 2kcx n ASP 63 Ca -0.00 0.54 -0.43 0.00 -0.53 0.00 0.00 54.79 54.37 2kcx n ASP 63 Cb 0.41 -0.60 -0.02 0.00 -0.64 0.00 0.00 41.12 40.26 2kcx n ASP 63 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 2kcx s LEU 64 N -3.51 3.62 0.25 0.64 2.96 -1.12 -4.76 118.68 116.77 2kcx s LEU 64 Ca 0.09 0.69 0.09 0.00 -0.22 0.00 0.00 54.13 54.78 2kcx s LEU 64 Cb 0.13 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.22 2kcx s LEU 64 CO 0.42 -1.34 -0.15 -0.44 -1.32 0.00 0.00 176.35 173.52 2kcx s SER 65 N 3.24 3.00 -0.42 3.68 0.01 -1.26 -4.82 113.70 117.12 2kcx s SER 65 Ca 0.55 -1.06 -0.23 0.00 1.31 0.00 0.00 55.95 56.52 2kcx s SER 65 Cb -0.11 -0.21 0.02 0.00 0.21 0.00 0.00 66.02 65.93 2kcx s SER 65 CO 0.32 -0.13 0.78 0.54 0.41 0.00 0.00 173.24 175.15 2kcx s VAL 66 N -2.81 4.68 0.03 3.43 0.11 -1.26 0.20 120.40 124.79 2kcx s VAL 66 Ca 0.27 0.54 -0.30 0.00 -2.93 0.00 0.00 61.98 59.56 2kcx s VAL 66 Cb -0.01 -4.28 -0.17 0.00 -1.53 0.00 0.00 36.38 30.38 2kcx s VAL 66 CO 0.11 -0.63 1.32 0.24 -3.33 0.00 0.00 175.10 172.81 2kcx h MET 67 N 8.84 -0.96 -3.40 1.54 2.86 -1.69 -3.48 114.93 118.64 2kcx h MET 67 Ca -0.25 0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.42 2kcx h MET 67 Cb 1.09 0.22 -0.06 0.00 0.06 0.00 0.00 31.60 32.90 2kcx h MET 67 CO 0.94 -0.62 0.04 1.52 1.06 0.00 0.00 176.91 179.86 2kcx s TYR 68 N -5.23 0.24 0.61 -0.22 -0.85 -1.26 -5.07 117.35 105.57 2kcx s TYR 68 Ca -0.16 -0.67 -0.12 0.00 -0.52 0.00 0.00 57.07 55.59 2kcx s TYR 68 Cb 0.02 0.42 -0.04 0.00 0.38 0.00 0.00 41.96 42.74 2kcx s TYR 68 CO 0.51 -1.19 1.03 1.03 -1.52 0.00 0.00 175.55 175.42 2kcx s ARG 69 N -3.57 3.55 1.31 -3.49 3.00 -1.26 -2.71 118.95 115.77 2kcx s ARG 69 Ca 0.19 0.85 0.00 0.00 0.00 0.00 0.00 55.73 56.76 2kcx s ARG 69 Cb -0.03 -2.07 0.00 0.00 0.00 0.00 0.00 34.95 32.85 2kcx s ARG 69 CO 0.10 -0.61 0.00 0.41 0.00 0.00 0.00 175.30 175.20 2kcx n GLY 70 N -2.31 -1.81 3.88 -3.53 0.00 0.14 -4.79 105.19 96.78 2kcx n GLY 70 Ca 0.06 -1.34 -0.30 0.00 0.00 0.00 0.00 46.02 44.44 2kcx n GLY 70 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kcx s ARG 71 N 0.00 3.66 -0.63 1.61 1.70 -1.26 -1.95 118.95 122.08 2kcx s ARG 71 Ca 0.00 0.54 -0.26 0.00 -0.47 0.00 0.00 55.73 55.54 2kcx s ARG 71 Cb 0.00 -2.25 -0.04 0.00 -0.57 0.00 0.00 34.95 32.09 2kcx s ARG 71 CO 0.00 -0.31 2.03 0.00 -1.08 0.00 0.00 175.30 175.94 2kcx s ARG 73 N 7.43 4.11 0.00 0.00 1.70 -1.26 -5.10 118.95 125.83 2kcx s ARG 73 Ca 0.76 0.14 0.11 0.00 -0.47 0.00 0.00 55.73 56.26 2kcx s ARG 73 Cb -0.13 -3.58 0.09 0.00 -0.57 0.00 0.00 34.95 30.76 2kcx s ARG 73 CO 0.18 -0.13 0.84 0.36 -1.08 0.00 0.00 175.30 175.48