#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 6.14 0.03 -3.46 1.01 -1.26 -5.11 116.67 114.03 2kcx s ASP 2 Ca 0.00 0.16 -0.11 0.00 0.71 0.00 0.00 52.55 53.32 2kcx s ASP 2 Cb 0.00 -1.82 0.01 0.00 1.01 0.00 0.00 42.92 42.12 2kcx s ASP 2 CO 0.00 0.13 0.22 -0.94 0.21 0.00 0.00 175.17 174.79 2kcx s SER 3 N -2.74 -0.02 -0.02 0.27 1.04 -1.26 -5.02 113.70 105.95 2kcx s SER 3 Ca 0.34 -0.29 -0.00 0.00 0.48 0.00 0.00 55.95 56.48 2kcx s SER 3 Cb -0.12 0.30 0.03 0.00 0.10 0.00 0.00 66.02 66.33 2kcx s SER 3 CO 0.27 -0.55 0.04 0.00 0.98 0.00 0.00 173.24 173.98 2kcx s ASP 5 N 0.99 6.61 -1.84 0.00 -4.77 -1.26 -4.27 116.67 112.14 2kcx s ASP 5 Ca -0.08 0.45 0.00 0.00 -3.30 0.00 0.00 52.55 49.62 2kcx s ASP 5 Cb -0.12 -2.43 0.00 0.00 -1.09 0.00 0.00 42.92 39.28 2kcx s ASP 5 CO -0.03 -0.81 0.00 0.61 0.70 0.00 0.00 175.17 175.64 2kcx n GLY 6 N 4.48 0.21 3.50 2.12 0.00 -1.26 -4.98 105.19 109.25 2kcx n GLY 6 Ca 0.05 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.93 4.19 -0.57 1.61 1.01 -1.26 -5.07 120.40 117.38 2kcx s VAL 7 Ca 0.00 -0.24 -0.28 0.00 0.00 0.00 0.00 61.98 61.46 2kcx s VAL 7 Cb 0.00 -2.89 0.03 0.00 0.00 0.00 0.00 36.38 33.52 2kcx s VAL 7 CO 0.00 0.44 1.25 -1.83 0.00 0.00 0.00 175.10 174.96 2kcx s GLU 8 N 0.79 3.46 0.06 2.72 -1.05 -1.26 -4.98 118.70 118.44 2kcx s GLU 8 Ca 0.01 0.31 -0.13 0.00 -0.15 0.00 0.00 54.97 55.01 2kcx s GLU 8 Cb -0.14 -4.04 0.02 0.00 -0.44 0.00 0.00 34.13 29.52 2kcx s GLU 8 CO 0.02 -1.74 0.29 0.00 0.95 0.00 0.00 175.26 174.77 2kcx n GLY 10 N 0.43 0.26 3.56 0.00 0.00 0.10 -4.95 105.19 104.59 2kcx n GLY 10 Ca -0.18 0.15 -0.21 0.00 0.00 0.00 0.00 46.02 45.78 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 2.10 0.00 1.61 0.02 -1.26 -3.12 135.00 134.35 2kcx s PRO 11 Ca 0.00 0.13 0.00 0.00 0.02 0.00 0.00 61.00 61.15 2kcx s PRO 11 Cb 0.00 -4.91 0.00 0.00 0.02 0.00 0.00 34.50 29.61 2kcx s PRO 11 CO 0.00 -3.86 0.00 0.41 -0.33 0.00 0.00 177.00 173.22 2kcx n GLY 12 N 6.79 0.93 2.93 0.52 0.00 -1.26 -5.00 105.19 110.10 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 -0.04 0.57 0.00 1.61 1.02 -1.18 0.19 119.74 121.91 2kcx s LYS 13 Ca 0.00 -0.16 0.03 0.00 0.02 0.00 0.00 55.97 55.87 2kcx s LYS 13 Cb 0.00 -0.58 -0.03 0.00 -0.52 0.00 0.00 37.83 36.70 2kcx s LYS 13 CO 0.00 0.04 -0.08 0.00 -0.92 0.00 0.00 175.35 174.40 2kcx s ALA 14 N 0.27 2.98 -0.20 5.17 0.00 -1.21 -0.73 121.76 128.04 2kcx s ALA 14 Ca -0.03 -1.02 -0.09 0.00 0.00 0.00 0.00 51.96 50.82 2kcx s ALA 14 Cb -0.07 -1.11 -0.05 0.00 0.00 0.00 0.00 23.12 21.90 2kcx s ALA 14 CO -0.00 0.61 0.10 0.00 0.00 0.00 0.00 175.76 176.47 2kcx s ARG 16 N 0.56 0.29 -0.40 0.00 3.52 -0.63 -4.17 118.95 118.12 2kcx s ARG 16 Ca 0.06 -0.40 -0.21 0.00 -0.13 0.00 0.00 55.73 55.05 2kcx s ARG 16 Cb -0.12 -0.09 0.01 0.00 -1.56 0.00 0.00 34.95 33.19 2kcx s ARG 16 CO 0.00 0.01 0.65 -1.64 -0.81 0.00 0.00 175.30 173.52 2kcx s MET 17 N -0.87 3.47 -0.36 5.12 -1.94 -1.26 -0.48 119.30 122.99 2kcx s MET 17 Ca -0.07 -0.16 -0.12 0.00 -1.71 0.00 0.00 55.69 53.63 2kcx s MET 17 Cb -0.06 -3.88 0.01 0.00 2.01 0.00 0.00 34.83 32.91 2kcx s MET 17 CO -0.00 -0.89 0.21 -0.51 -0.01 0.00 0.00 175.02 173.82 2kcx s LEU 18 N 2.81 4.61 -1.43 -0.03 1.02 0.51 -4.57 118.68 121.59 2kcx s LEU 18 Ca 0.24 -0.79 -0.08 0.00 0.02 0.00 0.00 54.13 53.52 2kcx s LEU 18 Cb -0.14 -2.06 0.04 0.00 0.02 0.00 0.00 46.19 44.06 2kcx s LEU 18 CO 0.17 -0.33 0.63 0.61 0.02 0.00 0.00 176.35 177.45 2kcx n GLY 19 N 5.03 -0.51 1.07 -3.19 0.00 -1.26 -1.01 105.19 105.34 2kcx n GLY 19 Ca -0.12 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.42 1.53 3.44 -0.02 0.00 -1.26 -5.04 105.19 102.43 2kcx n GLY 20 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.67 3.03 -0.45 1.61 0.52 -0.18 -5.05 118.95 117.76 2kcx s ARG 21 Ca 0.00 -0.96 -0.28 0.00 -0.52 0.00 0.00 55.73 53.97 2kcx s ARG 21 Cb 0.00 -3.85 -0.01 0.00 0.52 0.00 0.00 34.95 31.61 2kcx s ARG 21 CO 0.00 -0.67 1.63 -1.25 0.02 0.00 0.00 175.30 175.04 2kcx s PRO 22 N 1.64 3.25 0.11 3.54 0.04 -1.26 -0.36 135.00 141.96 2kcx s PRO 22 Ca 0.04 0.94 0.10 0.00 0.04 0.00 0.00 61.00 62.12 2kcx s PRO 22 Cb -0.19 -4.18 -0.04 0.00 0.04 0.00 0.00 34.50 30.14 2kcx s PRO 22 CO 0.09 -1.97 -0.22 1.03 0.04 0.00 0.00 177.00 175.97 2kcx s ARG 23 N 5.71 1.68 -0.09 4.56 1.81 0.36 -4.92 118.95 128.07 2kcx s ARG 23 Ca 0.67 -1.22 0.01 0.00 -1.72 0.00 0.00 55.73 53.47 2kcx s ARG 23 Cb -0.16 -2.04 0.02 0.00 -0.45 0.00 0.00 34.95 32.32 2kcx s ARG 23 CO 0.29 0.48 -0.10 0.00 -0.68 0.00 0.00 175.30 175.29 2kcx s GLU 25 N 1.12 1.72 -0.62 0.00 2.02 -1.24 -4.93 118.70 116.77 2kcx s GLU 25 Ca -0.06 -1.82 -0.26 0.00 0.02 0.00 0.00 54.97 52.85 2kcx s GLU 25 Cb -0.14 -1.75 -0.11 0.00 0.10 0.00 0.00 34.13 32.23 2kcx s GLU 25 CO -0.02 0.27 2.45 0.00 0.02 0.00 0.00 175.26 177.98 2kcx s ALA 27 N 11.95 3.54 -0.21 0.00 0.00 0.13 -4.95 121.76 132.22 2kcx s ALA 27 Ca 1.03 -0.99 -0.36 0.00 0.00 0.00 0.00 51.96 51.64 2kcx s ALA 27 Cb -0.32 -2.56 -0.13 0.00 0.00 0.00 0.00 23.12 20.11 2kcx s ALA 27 CO 0.27 -0.59 1.92 -0.35 0.00 0.00 0.00 175.76 177.01 2kcx n PRO 28 N 5.16 1.62 -0.24 0.00 -0.04 -1.26 -4.31 135.00 135.93 2kcx n PRO 28 Ca -0.12 0.57 0.00 0.00 -0.04 0.00 0.00 63.50 63.91 2kcx n PRO 28 Cb 0.52 -2.46 0.00 0.00 -0.04 0.00 0.00 33.50 31.52 2kcx n PRO 28 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2kcx n ASP 29 N 7.10 3.49 -4.56 3.54 5.75 -1.26 -4.86 116.55 125.76 2kcx n ASP 29 Ca 0.28 -1.90 -0.38 0.00 -0.01 0.00 0.00 54.79 52.78 2kcx n ASP 29 Cb 0.23 -0.70 -0.03 0.00 -1.03 0.00 0.00 41.12 39.60 2kcx n ASP 29 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kcx s SER 31 N 9.34 3.80 0.00 0.00 0.15 -1.26 -4.69 113.70 121.04 2kcx s SER 31 Ca 0.82 -2.42 0.00 0.00 0.70 0.00 0.00 55.95 55.04 2kcx s SER 31 Cb -0.17 -1.05 0.00 0.00 -1.71 0.00 0.00 66.02 63.09 2kcx s SER 31 CO 0.25 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 175.00 2kcx n GLY 32 N 3.82 1.24 3.51 9.45 0.00 -1.26 -5.11 105.19 116.83 2kcx n GLY 32 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 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 4.50 0.51 0.99 1.43 -1.26 -5.08 118.68 119.76 2kcx s LEU 33 Ca 0.00 -0.49 -0.18 0.00 -1.03 0.00 0.00 54.13 52.43 2kcx s LEU 33 Cb 0.00 -2.11 -0.08 0.00 0.03 0.00 0.00 46.19 44.03 2kcx s LEU 33 CO 0.00 -0.25 0.99 -2.16 0.23 0.00 0.00 176.35 175.17 2kcx s PRO 34 N 1.70 3.90 0.73 1.29 0.04 -1.26 -4.93 135.00 136.46 2kcx s PRO 34 Ca 0.06 1.07 -0.11 0.00 0.04 0.00 0.00 61.00 62.05 2kcx s PRO 34 Cb -0.17 -2.13 0.03 0.00 0.04 0.00 0.00 34.50 32.27 2kcx s PRO 34 CO 0.10 -0.32 1.08 0.00 0.04 0.00 0.00 177.00 177.90 2kcx s ALA 35 N -2.44 2.65 0.00 8.56 0.00 -1.26 -3.82 121.76 125.45 2kcx s ALA 35 Ca 0.61 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.39 2kcx s ALA 35 Cb -0.11 -3.09 0.00 0.00 0.00 0.00 0.00 23.12 19.92 2kcx s ALA 35 CO 0.27 -1.31 0.00 0.54 0.00 0.00 0.00 175.76 175.26 2kcx n ARG 36 N -3.15 0.00 -2.18 0.00 5.12 -1.23 -4.89 116.66 110.34 2kcx n ARG 36 Ca 0.07 0.00 -0.30 0.00 -1.93 0.00 0.00 57.85 55.68 2kcx n ARG 36 Cb 0.56 -2.57 -0.05 0.00 -1.16 0.00 0.00 32.46 29.24 2kcx n ARG 36 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2kcx s LEU 37 N 0.00 3.25 0.35 0.55 1.98 -1.25 -4.83 118.68 118.73 2kcx s LEU 37 Ca 0.00 -1.06 -0.27 0.00 -2.89 0.00 0.00 54.13 49.90 2kcx s LEU 37 Cb 0.00 -2.57 -0.09 0.00 0.66 0.00 0.00 46.19 44.19 2kcx s LEU 37 CO 0.00 -2.48 1.17 -1.10 -1.89 0.00 0.00 176.35 172.05 2kcx s GLN 38 N 6.40 4.30 0.07 1.98 -0.21 -1.25 -2.83 119.66 128.12 2kcx s GLN 38 Ca 0.64 1.88 0.01 0.00 0.02 0.00 0.00 55.36 57.92 2kcx s GLN 38 Cb -0.04 -2.91 -0.04 0.00 1.00 0.00 0.00 33.01 31.03 2kcx s GLN 38 CO 0.00 -0.12 -0.06 0.14 -2.12 0.00 0.00 175.29 173.14 2kcx s VAL 39 N -1.30 0.52 -0.18 1.09 -7.23 -0.84 -1.14 120.40 111.32 2kcx s VAL 39 Ca 0.52 -1.67 -0.09 0.00 -1.81 0.00 0.00 61.98 58.93 2kcx s VAL 39 Cb -0.32 -1.33 -0.05 0.00 0.56 0.00 0.00 36.38 35.24 2kcx s VAL 39 CO 0.42 -0.78 0.11 0.00 -0.31 0.00 0.00 175.10 174.54 2kcx s GLY 41 N 0.08 1.70 0.07 0.00 0.00 -0.20 -1.85 107.32 107.13 2kcx s GLY 41 Ca 0.08 -1.03 0.10 0.00 0.00 0.00 0.00 44.72 43.87 2kcx s GLY 41 CO -0.00 -0.46 1.32 -1.26 0.00 0.00 0.00 173.10 172.69 2kcx n SER 42 N -3.30 0.15 0.04 1.64 2.88 0.13 -1.60 113.62 113.56 2kcx n SER 42 Ca 0.11 0.55 -0.02 0.00 -1.33 0.00 0.00 58.87 58.19 2kcx n SER 42 Cb 0.60 -0.58 -0.08 0.00 -0.75 0.00 0.00 64.21 63.41 2kcx n SER 42 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 2kcx h ASP 43 N 0.00 0.00 0.00 -3.46 2.03 -1.92 -3.49 116.42 109.58 2kcx h ASP 43 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2kcx h ASP 43 Cb 0.12 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.62 2kcx h ASP 43 CO 0.00 0.69 0.00 0.61 -1.03 0.00 0.00 179.24 179.51 2kcx n GLY 44 N 1.39 0.92 3.92 7.15 0.00 -0.63 -5.12 105.19 112.81 2kcx n GLY 44 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 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 3.88 -0.26 4.61 0.00 -1.26 -4.84 121.76 121.89 2kcx s ALA 45 Ca 0.00 -0.77 -0.19 0.00 0.00 0.00 0.00 51.96 51.00 2kcx s ALA 45 Cb 0.00 -1.97 -0.02 0.00 0.00 0.00 0.00 23.12 21.12 2kcx s ALA 45 CO 0.00 0.61 0.58 0.99 0.00 0.00 0.00 175.76 177.94 2kcx s THR 46 N -1.71 5.02 0.12 0.00 2.01 -1.26 -1.03 115.64 118.79 2kcx s THR 46 Ca 0.38 1.02 -0.21 0.00 0.31 0.00 0.00 61.69 63.19 2kcx s THR 46 Cb -0.12 -3.88 -0.07 0.00 0.01 0.00 0.00 72.50 68.44 2kcx s THR 46 CO 0.27 0.06 0.64 -0.31 -0.69 0.00 0.00 174.62 174.59 2kcx s TYR 47 N 2.40 3.81 -0.07 4.92 1.51 0.14 -4.93 117.35 125.15 2kcx s TYR 47 Ca 0.24 1.38 0.25 0.00 -1.01 0.00 0.00 57.07 57.92 2kcx s TYR 47 Cb -0.16 -2.58 1.34 0.00 -0.11 0.00 0.00 41.96 40.45 2kcx s TYR 47 CO 0.09 0.54 1.75 0.07 -1.11 0.00 0.00 175.55 176.88 2kcx h ARG 48 N 4.33 0.00 -2.27 -0.62 0.11 -1.91 -2.24 114.38 111.77 2kcx h ARG 48 Ca -0.49 0.00 0.12 0.00 0.10 0.00 0.00 59.98 59.71 2kcx h ARG 48 Cb 1.21 0.00 -0.15 0.00 1.11 0.00 0.00 29.97 32.14 2kcx h ARG 48 CO 0.64 0.00 0.50 0.16 0.10 0.00 0.00 179.97 181.37 2kcx s ASP 49 N -4.16 -0.35 0.42 0.08 -4.77 -1.26 -3.47 116.67 103.16 2kcx s ASP 49 Ca -0.03 -0.03 0.12 0.00 -3.30 0.00 0.00 52.55 49.32 2kcx s ASP 49 Cb 0.07 0.39 0.90 0.00 -1.09 0.00 0.00 42.92 43.19 2kcx s ASP 49 CO 0.22 -0.63 1.96 -0.08 0.70 0.00 0.00 175.17 177.33 2kcx h GLU 50 N 2.00 0.10 -0.14 2.11 4.81 -1.78 -2.53 114.58 119.15 2kcx h GLU 50 Ca -0.22 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 58.85 2kcx h GLU 50 Cb 1.24 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 2kcx h GLU 50 CO 0.30 0.27 -0.48 0.00 -0.73 0.00 0.00 179.01 178.37 2kcx h GLU 52 N 0.30 -0.10 -0.27 0.00 4.57 -1.86 -0.03 114.58 117.19 2kcx h GLU 52 Ca 0.02 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 2kcx h GLU 52 Cb 0.96 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.56 2kcx h GLU 52 CO 0.08 -0.07 0.11 1.25 -1.18 0.00 0.00 179.01 179.21 2kcx h LEU 53 N -0.10 0.37 -1.63 1.64 6.46 -1.43 0.19 115.31 120.80 2kcx h LEU 53 Ca 0.07 -0.16 0.12 0.00 -0.12 0.00 0.00 57.88 57.79 2kcx h LEU 53 Cb 0.20 -0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 39.99 2kcx h LEU 53 CO -0.16 0.42 0.45 -0.09 -0.62 0.00 0.00 178.44 178.44 2kcx h ARG 54 N 0.29 0.38 0.03 1.25 2.43 -0.63 0.13 114.38 118.26 2kcx h ARG 54 Ca 0.09 -0.02 -0.27 0.00 -0.81 0.00 0.00 59.98 58.97 2kcx h ARG 54 Cb 0.17 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 2kcx h ARG 54 CO -0.01 0.25 -1.42 0.00 -1.51 0.00 0.00 179.97 177.28 2kcx h ALA 55 N 1.68 0.49 -0.01 2.80 0.00 -0.76 -3.35 119.26 120.10 2kcx h ALA 55 Ca 0.32 -1.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.02 2kcx h ALA 55 Cb 0.70 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 2kcx h ALA 55 CO -0.09 1.35 -0.13 0.00 0.00 0.00 0.00 179.25 180.38 2kcx h ALA 56 N 0.85 1.77 -0.67 0.00 0.00 0.13 -2.36 119.26 118.99 2kcx h ALA 56 Ca -0.18 -0.12 0.12 0.00 0.00 0.00 0.00 54.91 54.73 2kcx h ALA 56 Cb 1.93 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.65 2kcx h ALA 56 CO 0.12 0.17 0.45 -0.09 0.00 0.00 0.00 179.25 179.90 2kcx h ARG 57 N 0.01 0.42 -0.53 0.00 2.43 -1.45 -0.34 114.38 114.92 2kcx h ARG 57 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2kcx h ARG 57 Cb 0.23 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 2kcx h ARG 57 CO 0.02 0.27 0.00 0.00 -1.51 0.00 0.00 179.97 178.75 2kcx n ARG 59 N 0.38 2.52 0.00 0.00 1.74 -0.14 -4.87 116.66 116.28 2kcx n ARG 59 Ca 0.11 -2.34 0.00 0.00 -0.77 0.00 0.00 57.85 54.86 2kcx n ARG 59 Cb 0.44 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 2kcx n ARG 59 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2kcx n GLY 60 N 1.54 -0.09 2.60 -0.13 0.00 -1.25 -5.10 105.19 102.76 2kcx n GLY 60 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.89 1.50 0.61 1.61 3.76 -1.15 -4.94 115.29 115.78 2kcx s HIS 61 Ca 0.00 -2.16 0.41 0.00 -0.15 0.00 0.00 55.06 53.16 2kcx s HIS 61 Cb 0.00 -1.47 2.25 0.00 1.11 0.00 0.00 32.58 34.46 2kcx s HIS 61 CO 0.00 -0.79 2.32 -1.35 -0.85 0.00 0.00 174.74 174.07 2kcx h PRO 62 N 6.67 0.00 0.00 8.40 0.11 -1.93 -1.39 132.00 143.86 2kcx h PRO 62 Ca 0.05 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.14 2kcx h PRO 62 Cb 0.93 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.04 2kcx h PRO 62 CO 0.40 0.00 -0.07 0.38 -0.21 0.00 0.00 178.00 178.50 2kcx h ASP 63 N 0.00 0.00 -2.58 -2.05 2.03 -1.92 -3.45 116.42 108.46 2kcx h ASP 63 Ca -0.00 0.00 -0.57 0.00 -0.73 0.00 0.00 57.03 55.73 2kcx h ASP 63 Cb 0.05 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.53 2kcx h ASP 63 CO 0.00 0.07 1.27 -0.22 -1.03 0.00 0.00 179.24 179.34 2kcx s LEU 64 N -6.29 3.63 0.22 0.15 2.96 -0.52 -4.92 118.68 113.90 2kcx s LEU 64 Ca 0.04 1.54 0.05 0.00 -0.22 0.00 0.00 54.13 55.53 2kcx s LEU 64 Cb 0.07 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 43.19 2kcx s LEU 64 CO 0.63 -1.61 -0.05 -0.44 -1.32 0.00 0.00 176.35 173.56 2kcx s SER 65 N 5.90 2.09 -0.13 3.68 0.01 -1.26 -4.67 113.70 119.31 2kcx s SER 65 Ca 0.82 -1.14 -0.24 0.00 1.31 0.00 0.00 55.95 56.69 2kcx s SER 65 Cb -0.26 -0.05 -0.03 0.00 0.21 0.00 0.00 66.02 65.90 2kcx s SER 65 CO 0.33 -0.40 0.75 0.54 0.41 0.00 0.00 173.24 174.88 2kcx s VAL 66 N -3.27 4.97 -0.04 3.43 0.11 -1.26 -0.70 120.40 123.64 2kcx s VAL 66 Ca 0.25 1.50 -0.21 0.00 -2.93 0.00 0.00 61.98 60.60 2kcx s VAL 66 Cb 0.04 -4.08 -0.32 0.00 -1.53 0.00 0.00 36.38 30.49 2kcx s VAL 66 CO 0.07 0.13 0.89 0.24 -3.33 0.00 0.00 175.10 173.11 2kcx h MET 67 N 7.12 0.34 -2.25 1.54 2.86 -1.63 -3.48 114.93 119.42 2kcx h MET 67 Ca -0.35 -0.57 0.04 0.00 -2.06 0.00 0.00 59.70 56.76 2kcx h MET 67 Cb 1.16 0.21 -0.17 0.00 0.06 0.00 0.00 31.60 32.87 2kcx h MET 67 CO 0.79 1.27 0.37 1.52 1.06 0.00 0.00 176.91 181.92 2kcx s TYR 68 N -2.46 -0.47 -0.61 -0.22 1.13 -1.26 -5.07 117.35 108.40 2kcx s TYR 68 Ca -0.13 0.52 -0.28 0.00 -1.41 0.00 0.00 57.07 55.78 2kcx s TYR 68 Cb 0.02 0.50 0.03 0.00 -1.10 0.00 0.00 41.96 41.40 2kcx s TYR 68 CO 0.85 -0.59 1.19 1.03 -2.51 0.00 0.00 175.55 175.52 2kcx s ARG 69 N -2.45 3.44 0.00 -3.49 3.00 -1.26 -3.17 118.95 115.02 2kcx s ARG 69 Ca -0.01 0.11 0.00 0.00 0.00 0.00 0.00 55.73 55.83 2kcx s ARG 69 Cb -0.01 -4.05 0.00 0.00 0.00 0.00 0.00 34.95 30.89 2kcx s ARG 69 CO -0.04 -1.76 0.00 0.41 0.00 0.00 0.00 175.30 173.91 2kcx n GLY 70 N 5.13 2.60 3.80 -3.53 0.00 -0.30 -4.99 105.19 107.90 2kcx n GLY 70 Ca 0.07 -1.46 -0.34 0.00 0.00 0.00 0.00 46.02 44.29 2kcx n GLY 70 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kcx s ARG 71 N -1.98 3.86 -0.14 1.61 0.52 -1.26 -3.07 118.95 118.48 2kcx s ARG 71 Ca 0.00 1.33 -0.30 0.00 -0.52 0.00 0.00 55.73 56.25 2kcx s ARG 71 Cb 0.00 -2.11 -0.07 0.00 0.52 0.00 0.00 34.95 33.29 2kcx s ARG 71 CO 0.00 -0.38 2.12 0.00 0.02 0.00 0.00 175.30 177.06 2kcx s ARG 73 N 5.62 3.57 0.00 0.00 1.81 -1.26 -5.11 118.95 123.58 2kcx s ARG 73 Ca 0.98 -0.07 0.00 0.00 -1.72 0.00 0.00 55.73 54.91 2kcx s ARG 73 Cb -0.44 -3.11 0.00 0.00 -0.45 0.00 0.00 34.95 30.95 2kcx s ARG 73 CO 0.40 0.68 0.18 1.17 -0.68 0.00 0.00 175.30 177.05