#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 4.06 -0.10 4.04 1.11 -1.26 -5.03 116.67 119.48 2kcx s ASP 2 Ca 0.00 0.94 -0.22 0.00 0.18 0.00 0.00 52.55 53.45 2kcx s ASP 2 Cb 0.00 -1.51 -0.04 0.00 1.07 0.00 0.00 42.92 42.45 2kcx s ASP 2 CO 0.00 -2.20 0.63 -0.44 1.18 0.00 0.00 175.17 174.34 2kcx s SER 3 N -4.23 6.86 -0.20 0.27 0.01 -1.26 -4.75 113.70 110.40 2kcx s SER 3 Ca 0.63 1.04 -0.11 0.00 1.31 0.00 0.00 55.95 58.81 2kcx s SER 3 Cb -0.13 -2.37 -0.05 0.00 0.21 0.00 0.00 66.02 63.68 2kcx s SER 3 CO 0.52 -0.11 0.18 0.00 0.41 0.00 0.00 173.24 174.24 2kcx s ASP 5 N 0.55 6.51 0.00 0.00 2.15 -1.26 -4.36 116.67 120.27 2kcx s ASP 5 Ca 0.10 0.16 0.00 0.00 0.43 0.00 0.00 52.55 53.24 2kcx s ASP 5 Cb -0.12 -2.43 0.00 0.00 -0.30 0.00 0.00 42.92 40.07 2kcx s ASP 5 CO 0.01 -0.95 0.00 0.61 -0.17 0.00 0.00 175.17 174.67 2kcx n GLY 6 N 4.81 0.74 3.76 2.66 0.00 -1.26 -4.94 105.19 110.96 2kcx n GLY 6 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 2.75 -0.43 1.61 1.01 -1.26 -5.01 120.40 119.07 2kcx s VAL 7 Ca 0.00 0.57 -0.13 0.00 0.00 0.00 0.00 61.98 62.43 2kcx s VAL 7 Cb 0.00 -3.29 0.06 0.00 0.00 0.00 0.00 36.38 33.15 2kcx s VAL 7 CO 0.00 0.00 0.30 -1.83 0.00 0.00 0.00 175.10 173.58 2kcx s GLU 8 N -2.72 2.83 0.35 2.72 1.03 -1.26 -4.76 118.70 116.89 2kcx s GLU 8 Ca 0.65 -1.29 -0.04 0.00 0.03 0.00 0.00 54.97 54.32 2kcx s GLU 8 Cb -0.33 -3.93 0.01 0.00 -0.80 0.00 0.00 34.13 29.08 2kcx s GLU 8 CO 0.40 -0.91 0.51 0.00 -1.33 0.00 0.00 175.26 173.93 2kcx n GLY 10 N -0.57 1.55 3.56 0.00 0.00 0.16 -4.97 105.19 104.91 2kcx n GLY 10 Ca 0.00 -0.43 -0.21 0.00 0.00 0.00 0.00 46.02 45.38 2kcx n GLY 10 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2kcx s PRO 11 N 0.00 1.86 0.00 1.61 0.02 -1.26 -2.46 135.00 134.76 2kcx s PRO 11 Ca 0.00 0.62 0.00 0.00 0.02 0.00 0.00 61.00 61.64 2kcx s PRO 11 Cb 0.00 -4.75 0.00 0.00 0.02 0.00 0.00 34.50 29.77 2kcx s PRO 11 CO 0.00 -4.00 0.00 0.41 -0.33 0.00 0.00 177.00 173.08 2kcx n GLY 12 N 6.59 1.06 2.94 0.52 0.00 -1.26 -5.03 105.19 110.01 2kcx n GLY 12 Ca 0.43 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.67 0.57 -0.07 1.61 1.02 -1.03 -0.65 119.74 120.52 2kcx s LYS 13 Ca 0.00 -0.16 0.05 0.00 0.02 0.00 0.00 55.97 55.88 2kcx s LYS 13 Cb 0.00 -0.57 -0.01 0.00 -0.52 0.00 0.00 37.83 36.73 2kcx s LYS 13 CO 0.00 0.05 -0.24 0.00 -0.92 0.00 0.00 175.35 174.24 2kcx s ALA 14 N 0.24 2.18 -0.28 5.17 0.00 -0.90 0.39 121.76 128.57 2kcx s ALA 14 Ca -0.03 -1.02 -0.13 0.00 0.00 0.00 0.00 51.96 50.78 2kcx s ALA 14 Cb -0.07 -0.73 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 2kcx s ALA 14 CO -0.00 0.37 0.28 0.00 0.00 0.00 0.00 175.76 176.41 2kcx s ARG 16 N 1.91 1.44 -0.65 0.00 3.52 -0.78 -4.61 118.95 119.78 2kcx s ARG 16 Ca 0.11 -0.89 -0.27 0.00 -0.13 0.00 0.00 55.73 54.55 2kcx s ARG 16 Cb -0.16 -1.51 -0.00 0.00 -1.56 0.00 0.00 34.95 31.72 2kcx s ARG 16 CO 0.11 0.39 1.64 -1.64 -0.81 0.00 0.00 175.30 174.98 2kcx s MET 17 N -1.02 2.86 -0.26 5.12 -1.94 -1.26 -3.92 119.30 118.88 2kcx s MET 17 Ca 0.07 0.31 0.01 0.00 -1.71 0.00 0.00 55.69 54.37 2kcx s MET 17 Cb -0.09 -4.30 0.07 0.00 2.01 0.00 0.00 34.83 32.52 2kcx s MET 17 CO 0.01 -2.49 -0.02 -0.51 -0.01 0.00 0.00 175.02 172.00 2kcx s LEU 18 N 7.75 2.87 0.00 -0.03 1.43 -1.26 -4.87 118.68 124.57 2kcx s LEU 18 Ca 0.55 -1.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.28 2kcx s LEU 18 Cb -0.11 -1.22 0.00 0.00 0.03 0.00 0.00 46.19 44.89 2kcx s LEU 18 CO 0.19 -0.27 0.00 0.61 0.23 0.00 0.00 176.35 177.11 2kcx n GLY 19 N 4.62 1.98 0.00 -3.19 0.00 -1.26 -3.97 105.19 103.37 2kcx n GLY 19 Ca -0.09 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 0.02 3.85 -0.02 0.00 -1.26 -5.15 105.19 102.63 2kcx n GLY 20 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 3.63 -0.76 1.61 0.52 -1.25 -5.02 118.95 117.67 2kcx s ARG 21 Ca 0.00 -0.03 -0.26 0.00 -0.52 0.00 0.00 55.73 54.92 2kcx s ARG 21 Cb 0.00 -3.23 -0.06 0.00 0.52 0.00 0.00 34.95 32.18 2kcx s ARG 21 CO 0.00 0.70 2.07 -1.25 0.02 0.00 0.00 175.30 176.84 2kcx s PRO 22 N -0.85 2.33 -0.05 3.54 0.04 -1.26 -4.24 135.00 134.52 2kcx s PRO 22 Ca 0.16 0.30 -0.01 0.00 0.04 0.00 0.00 61.00 61.49 2kcx s PRO 22 Cb -0.13 -4.78 -0.04 0.00 0.04 0.00 0.00 34.50 29.60 2kcx s PRO 22 CO 0.05 -3.41 0.03 -0.98 0.04 0.00 0.00 177.00 172.73 2kcx s ARG 23 N 7.54 2.98 -0.11 4.56 1.70 -1.25 -4.93 118.95 129.43 2kcx s ARG 23 Ca 0.77 -0.46 -0.05 0.00 -0.47 0.00 0.00 55.73 55.52 2kcx s ARG 23 Cb -0.11 -2.80 -0.04 0.00 -0.57 0.00 0.00 34.95 31.43 2kcx s ARG 23 CO 0.10 0.67 0.07 0.00 -1.08 0.00 0.00 175.30 175.06 2kcx s GLU 25 N -0.81 2.84 -0.66 0.00 0.41 0.66 -4.86 118.70 116.28 2kcx s GLU 25 Ca 0.13 -0.97 -0.26 0.00 -0.41 0.00 0.00 54.97 53.46 2kcx s GLU 25 Cb -0.12 -2.58 -0.03 0.00 -1.78 0.00 0.00 34.13 29.62 2kcx s GLU 25 CO 0.03 0.45 1.96 0.00 -0.49 0.00 0.00 175.26 177.20 2kcx s ALA 27 N 9.80 3.80 -0.59 0.00 0.00 0.18 -4.89 121.76 130.07 2kcx s ALA 27 Ca 0.72 -0.57 -0.06 0.00 0.00 0.00 0.00 51.96 52.05 2kcx s ALA 27 Cb -0.12 -2.09 -0.12 0.00 0.00 0.00 0.00 23.12 20.79 2kcx s ALA 27 CO 0.17 0.49 2.50 -2.30 0.00 0.00 0.00 175.76 176.62 2kcx n PRO 28 N 2.32 2.00 -1.65 0.00 -0.02 -1.26 -4.35 135.00 132.04 2kcx n PRO 28 Ca -0.18 -1.21 -0.50 0.00 -2.02 0.00 0.00 63.50 59.59 2kcx n PRO 28 Cb 0.54 -2.22 -0.05 0.00 -0.02 0.00 0.00 33.50 31.75 2kcx n PRO 28 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2kcx n ASP 29 N 3.37 2.50 -2.16 2.55 2.03 -1.26 -4.84 116.55 118.73 2kcx n ASP 29 Ca 0.43 1.08 -0.01 0.00 0.52 0.00 0.00 54.79 56.80 2kcx n ASP 29 Cb 0.38 -1.29 0.07 0.00 -0.72 0.00 0.00 41.12 39.56 2kcx n ASP 29 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kcx s SER 31 N -0.59 4.67 0.00 0.00 0.15 -1.26 -1.49 113.70 115.18 2kcx s SER 31 Ca 0.05 1.24 0.00 0.00 0.70 0.00 0.00 55.95 57.95 2kcx s SER 31 Cb 0.23 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 62.04 2kcx s SER 31 CO -0.07 -2.67 0.00 0.61 1.20 0.00 0.00 173.24 172.31 2kcx n GLY 32 N 5.94 0.91 3.68 9.45 0.00 -1.26 -5.12 105.19 118.79 2kcx n GLY 32 Ca 0.35 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.99 2kcx n GLY 32 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kcx s LEU 33 N 0.00 4.17 -0.00 0.99 1.43 -0.56 -5.06 118.68 119.64 2kcx s LEU 33 Ca 0.00 0.47 -0.30 0.00 -1.03 0.00 0.00 54.13 53.26 2kcx s LEU 33 Cb 0.00 -2.44 -0.05 0.00 0.03 0.00 0.00 46.19 43.72 2kcx s LEU 33 CO 0.00 -0.03 1.39 -2.16 0.23 0.00 0.00 176.35 175.78 2kcx s PRO 34 N 1.13 4.28 0.00 1.29 0.04 -1.26 -4.91 135.00 135.58 2kcx s PRO 34 Ca 0.17 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.17 2kcx s PRO 34 Cb -0.14 -3.57 0.01 0.00 0.04 0.00 0.00 34.50 30.83 2kcx s PRO 34 CO 0.07 -0.57 0.75 0.00 0.04 0.00 0.00 177.00 177.29 2kcx n ALA 35 N 5.37 2.24 -0.11 8.56 0.00 -1.26 -2.04 120.51 133.27 2kcx n ALA 35 Ca 0.13 -0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.61 2kcx n ALA 35 Cb 0.44 -1.00 0.11 0.00 0.00 0.00 0.00 19.45 18.99 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 -0.50 2.81 -3.55 0.00 1.74 -1.26 -4.67 116.66 111.22 2kcx n ARG 36 Ca 0.00 -1.87 -0.41 0.00 -0.77 0.00 0.00 57.85 54.80 2kcx n ARG 36 Cb 0.00 -1.20 -0.08 0.00 -1.02 0.00 0.00 32.46 30.16 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 -0.99 5.75 0.58 0.55 2.96 -0.86 -5.01 118.68 121.66 2kcx s LEU 37 Ca 0.17 -2.10 -0.20 0.00 -0.22 0.00 0.00 54.13 51.78 2kcx s LEU 37 Cb 0.09 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.73 2kcx s LEU 37 CO 0.12 -0.65 1.27 -1.10 -1.32 0.00 0.00 176.35 174.67 2kcx s GLN 38 N 1.08 2.97 0.10 1.98 -0.21 -1.10 -3.85 119.66 120.63 2kcx s GLN 38 Ca 0.08 1.99 0.01 0.00 0.02 0.00 0.00 55.36 57.46 2kcx s GLN 38 Cb -0.24 -2.03 -0.04 0.00 1.00 0.00 0.00 33.01 31.70 2kcx s GLN 38 CO -0.02 -1.25 -0.03 0.14 -2.12 0.00 0.00 175.29 172.01 2kcx s VAL 39 N -1.46 0.50 -0.12 1.09 -7.23 -0.85 0.13 120.40 112.45 2kcx s VAL 39 Ca 0.76 -1.91 0.02 0.00 -1.81 0.00 0.00 61.98 59.05 2kcx s VAL 39 Cb -0.35 -1.76 -0.00 0.00 0.56 0.00 0.00 36.38 34.83 2kcx s VAL 39 CO 0.39 -0.79 -0.20 0.00 -0.31 0.00 0.00 175.10 174.19 2kcx s GLY 41 N 0.49 1.76 0.29 0.00 0.00 -1.01 -1.93 107.32 106.92 2kcx s GLY 41 Ca -0.13 -1.78 0.22 0.00 0.00 0.00 0.00 44.72 43.02 2kcx s GLY 41 CO 0.05 -1.25 1.66 -1.14 0.00 0.00 0.00 173.10 172.43 2kcx n SER 42 N -2.71 0.58 0.16 1.64 3.41 0.14 -0.75 113.62 116.09 2kcx n SER 42 Ca 0.15 0.72 0.07 0.00 -0.26 0.00 0.00 58.87 59.55 2kcx n SER 42 Cb 0.61 -0.81 0.07 0.00 -0.26 0.00 0.00 64.21 63.81 2kcx n SER 42 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 2kcx h ASP 43 N 0.00 0.00 0.00 4.04 3.58 -1.88 -3.48 116.42 118.67 2kcx h ASP 43 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2kcx h ASP 43 Cb 0.14 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.19 2kcx h ASP 43 CO 0.00 0.26 0.00 0.61 -2.88 0.00 0.00 179.24 177.23 2kcx n GLY 44 N 1.19 0.13 3.73 -0.78 0.00 0.07 -5.07 105.19 104.46 2kcx n GLY 44 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.03 3.33 -0.33 4.61 0.00 -1.26 -4.76 121.76 121.34 2kcx s ALA 45 Ca 0.00 0.75 -0.23 0.00 0.00 0.00 0.00 51.96 52.48 2kcx s ALA 45 Cb 0.00 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.77 2kcx s ALA 45 CO 0.00 -0.21 0.79 0.99 0.00 0.00 0.00 175.76 177.33 2kcx s THR 46 N 0.12 4.77 0.24 0.00 2.01 -1.26 -2.41 115.64 119.11 2kcx s THR 46 Ca 0.51 1.10 0.05 0.00 0.31 0.00 0.00 61.69 63.66 2kcx s THR 46 Cb -0.28 -4.17 -0.03 0.00 0.01 0.00 0.00 72.50 68.03 2kcx s THR 46 CO 0.32 -0.32 0.34 -0.31 -0.69 0.00 0.00 174.62 173.97 2kcx s TYR 47 N 3.02 3.41 0.37 4.92 2.02 0.46 -4.94 117.35 126.62 2kcx s TYR 47 Ca 0.32 -0.02 0.08 0.00 -0.37 0.00 0.00 57.07 57.08 2kcx s TYR 47 Cb -0.14 -1.56 0.80 0.00 -0.40 0.00 0.00 41.96 40.66 2kcx s TYR 47 CO 0.14 0.45 1.95 0.00 -1.57 0.00 0.00 175.55 176.52 2kcx h ARG 48 N 1.27 0.67 -2.59 -0.62 2.47 -1.91 -2.27 114.38 111.40 2kcx h ARG 48 Ca -0.51 -0.04 0.13 0.00 -1.26 0.00 0.00 59.98 58.30 2kcx h ARG 48 Cb 1.23 -0.15 -0.07 0.00 -1.65 0.00 0.00 29.97 29.33 2kcx h ARG 48 CO 0.61 0.44 0.39 0.16 0.56 0.00 0.00 179.97 182.14 2kcx s ASP 49 N -6.16 -0.22 0.35 7.04 -4.77 -1.25 -2.70 116.67 108.95 2kcx s ASP 49 Ca -0.09 -0.46 0.07 0.00 -3.30 0.00 0.00 52.55 48.77 2kcx s ASP 49 Cb 0.20 0.57 0.64 0.00 -1.09 0.00 0.00 42.92 43.24 2kcx s ASP 49 CO 0.77 -1.05 1.85 -0.08 0.70 0.00 0.00 175.17 177.35 2kcx h GLU 50 N 2.00 0.34 -0.53 2.11 4.81 -1.85 -2.45 114.58 119.01 2kcx h GLU 50 Ca -0.22 -0.09 -0.08 0.00 -0.13 0.00 0.00 59.36 58.83 2kcx h GLU 50 Cb 1.24 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.56 2kcx h GLU 50 CO 0.25 0.50 0.01 0.00 -0.73 0.00 0.00 179.01 179.04 2kcx h GLU 52 N 0.82 1.23 -0.22 0.00 4.57 -1.83 0.39 114.58 119.54 2kcx h GLU 52 Ca 0.16 -0.12 -0.02 0.00 -1.18 0.00 0.00 59.36 58.20 2kcx h GLU 52 Cb 0.47 -0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 2kcx h GLU 52 CO 0.02 0.87 0.07 1.25 -1.18 0.00 0.00 179.01 180.04 2kcx h LEU 53 N 1.25 0.32 -2.06 1.64 6.46 -0.95 0.21 115.31 122.18 2kcx h LEU 53 Ca 0.32 -0.20 -0.01 0.00 -0.12 0.00 0.00 57.88 57.87 2kcx h LEU 53 Cb -0.04 -0.08 -0.00 0.00 -0.73 0.00 0.00 40.66 39.81 2kcx h LEU 53 CO -0.06 0.43 -0.05 0.03 -0.62 0.00 0.00 178.44 178.17 2kcx h ARG 54 N 0.18 0.00 0.07 1.25 3.08 -0.26 -1.83 114.38 116.88 2kcx h ARG 54 Ca 0.07 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.92 2kcx h ARG 54 Cb 0.23 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.30 2kcx h ARG 54 CO -0.00 0.05 -0.81 0.00 -1.07 0.00 0.00 179.97 178.14 2kcx h ALA 55 N 1.95 0.00 -0.23 0.04 0.00 0.14 -3.27 119.26 117.88 2kcx h ALA 55 Ca -0.00 -0.65 0.07 0.00 0.00 0.00 0.00 54.91 54.32 2kcx h ALA 55 Cb 0.31 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2kcx h ALA 55 CO 0.01 0.43 0.17 0.00 0.00 0.00 0.00 179.25 179.86 2kcx h ALA 56 N 0.24 2.16 -0.19 0.00 0.00 -0.20 0.10 119.26 121.36 2kcx h ALA 56 Ca -0.12 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.83 2kcx h ALA 56 Cb 1.55 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.31 2kcx h ALA 56 CO 0.16 -0.29 -0.13 -0.09 0.00 0.00 0.00 179.25 178.89 2kcx h ARG 57 N 0.00 -0.13 0.00 0.00 9.65 -1.41 -2.15 114.38 120.34 2kcx h ARG 57 Ca 0.11 0.01 -0.09 0.00 -1.10 0.00 0.00 59.98 58.91 2kcx h ARG 57 Cb 0.46 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.05 2kcx h ARG 57 CO -0.00 -0.08 -0.43 0.00 2.80 0.00 0.00 179.97 182.26 2kcx h ARG 59 N 0.00 0.28 0.00 0.00 9.65 -0.70 -3.45 114.38 120.16 2kcx h ARG 59 Ca -0.00 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 2kcx h ARG 59 Cb 0.76 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.29 2kcx h ARG 59 CO 0.06 0.35 0.00 0.41 2.80 0.00 0.00 179.97 183.58 2kcx n GLY 60 N -1.03 0.00 2.52 2.80 0.00 -0.85 -5.09 105.19 103.54 2kcx n GLY 60 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 1.59 0.26 1.61 3.76 -0.93 -4.98 115.29 116.60 2kcx s HIS 61 Ca 0.00 -2.45 0.31 0.00 -0.15 0.00 0.00 55.06 52.77 2kcx s HIS 61 Cb 0.00 -1.33 1.39 0.00 1.11 0.00 0.00 32.58 33.74 2kcx s HIS 61 CO 0.00 -0.77 2.01 -1.00 -0.85 0.00 0.00 174.74 174.13 2kcx h PRO 62 N 5.84 0.00 0.00 8.40 0.13 -1.89 -2.65 132.00 141.83 2kcx h PRO 62 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 2kcx h PRO 62 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 2kcx h PRO 62 CO 0.43 0.09 -0.41 -0.44 -0.23 0.00 0.00 178.00 177.45 2kcx h ASP 63 N 0.00 0.00 -2.68 1.44 3.32 -1.96 -3.46 116.42 113.08 2kcx h ASP 63 Ca -0.00 -0.01 -0.57 0.00 0.02 0.00 0.00 57.03 56.46 2kcx h ASP 63 Cb 0.47 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 2kcx h ASP 63 CO 0.01 0.01 1.22 -0.22 -1.72 0.00 0.00 179.24 178.54 2kcx s LEU 64 N -5.66 3.68 0.24 1.55 2.96 -1.00 -4.78 118.68 115.68 2kcx s LEU 64 Ca 0.04 1.49 0.06 0.00 -0.22 0.00 0.00 54.13 55.50 2kcx s LEU 64 Cb 0.08 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 43.19 2kcx s LEU 64 CO 0.71 -1.52 -0.07 -0.94 -1.32 0.00 0.00 176.35 173.21 2kcx s SER 65 N 5.37 2.47 -0.13 3.68 1.04 -1.26 -4.86 113.70 120.00 2kcx s SER 65 Ca 0.78 -1.14 -0.21 0.00 0.48 0.00 0.00 55.95 55.85 2kcx s SER 65 Cb -0.24 -0.11 -0.03 0.00 0.10 0.00 0.00 66.02 65.73 2kcx s SER 65 CO 0.32 -0.33 0.63 0.54 0.98 0.00 0.00 173.24 175.38 2kcx s VAL 66 N -3.10 5.07 -0.17 5.02 0.11 -1.26 0.26 120.40 126.31 2kcx s VAL 66 Ca 0.27 1.25 -0.14 0.00 -2.93 0.00 0.00 61.98 60.42 2kcx s VAL 66 Cb 0.03 -3.96 -0.10 0.00 -1.53 0.00 0.00 36.38 30.82 2kcx s VAL 66 CO 0.09 0.21 -0.03 0.23 -3.33 0.00 0.00 175.10 172.27 2kcx n MET 67 N 4.23 0.50 -3.80 1.54 2.81 -0.81 -4.91 117.12 116.68 2kcx n MET 67 Ca -0.02 0.53 -0.10 0.00 -1.81 0.00 0.00 57.70 56.30 2kcx n MET 67 Cb 0.51 -1.70 -0.07 0.00 -0.71 0.00 0.00 33.22 31.24 2kcx n MET 67 CO 0.00 0.00 0.00 1.52 1.51 0.00 0.00 175.97 179.00 2kcx s TYR 68 N -2.32 0.01 -0.43 2.03 1.13 -1.23 -5.06 117.35 111.49 2kcx s TYR 68 Ca -0.21 -0.29 -0.14 0.00 -1.41 0.00 0.00 57.07 55.01 2kcx s TYR 68 Cb 0.04 0.03 0.05 0.00 -1.10 0.00 0.00 41.96 40.97 2kcx s TYR 68 CO 0.38 -0.52 0.31 1.03 -2.51 0.00 0.00 175.55 174.25 2kcx s ARG 69 N -3.13 2.91 0.00 -3.49 0.52 -1.26 -1.91 118.95 112.58 2kcx s ARG 69 Ca -0.01 -1.20 0.00 0.00 -0.52 0.00 0.00 55.73 54.00 2kcx s ARG 69 Cb 0.01 -3.97 0.00 0.00 0.52 0.00 0.00 34.95 31.51 2kcx s ARG 69 CO -0.07 -0.86 0.00 0.41 0.02 0.00 0.00 175.30 174.80 2kcx n GLY 70 N 5.12 -1.49 3.71 -3.53 0.00 0.34 -4.92 105.19 104.42 2kcx n GLY 70 Ca -0.12 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 2kcx n GLY 70 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kcx s ARG 71 N -1.66 4.13 -0.56 1.61 3.52 -1.26 -3.87 118.95 120.85 2kcx s ARG 71 Ca 0.00 2.60 -0.26 0.00 -0.13 0.00 0.00 55.73 57.94 2kcx s ARG 71 Cb 0.00 -3.34 -0.08 0.00 -1.56 0.00 0.00 34.95 29.97 2kcx s ARG 71 CO 0.00 -0.80 2.37 0.00 -0.81 0.00 0.00 175.30 176.06 2kcx s ARG 73 N 8.30 4.58 0.00 0.00 1.70 -1.26 -5.07 118.95 127.20 2kcx s ARG 73 Ca 0.94 1.21 0.28 0.00 -0.47 0.00 0.00 55.73 57.69 2kcx s ARG 73 Cb -0.16 -3.36 0.96 0.00 -0.57 0.00 0.00 34.95 31.83 2kcx s ARG 73 CO 0.22 0.29 1.69 1.63 -1.08 0.00 0.00 175.30 178.06