#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 5.74 -0.27 6.43 1.47 -1.26 -5.03 116.67 123.75 2kcx s ASP 2 Ca 0.00 1.74 -0.16 0.00 1.18 0.00 0.00 52.55 55.32 2kcx s ASP 2 Cb 0.00 -2.52 -0.03 0.00 -0.34 0.00 0.00 42.92 40.03 2kcx s ASP 2 CO 0.00 -1.20 0.42 -0.94 0.68 0.00 0.00 175.17 174.13 2kcx s SER 3 N -3.08 6.31 -0.19 2.11 1.04 -1.26 -4.87 113.70 113.76 2kcx s SER 3 Ca 0.62 0.36 -0.06 0.00 0.48 0.00 0.00 55.95 57.35 2kcx s SER 3 Cb -0.15 -2.23 -0.03 0.00 0.10 0.00 0.00 66.02 63.70 2kcx s SER 3 CO 0.41 -0.21 0.03 0.00 0.98 0.00 0.00 173.24 174.46 2kcx s ASP 5 N 0.61 6.48 0.00 0.00 1.01 -1.26 -4.44 116.67 119.07 2kcx s ASP 5 Ca 0.01 0.11 0.00 0.00 0.71 0.00 0.00 52.55 53.39 2kcx s ASP 5 Cb -0.13 -2.40 0.00 0.00 1.01 0.00 0.00 42.92 41.40 2kcx s ASP 5 CO 0.02 -0.85 0.00 0.61 0.21 0.00 0.00 175.17 175.16 2kcx n GLY 6 N 4.79 0.66 3.76 0.21 0.00 -1.26 -4.88 105.19 108.47 2kcx n GLY 6 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 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 2.69 -0.45 1.61 1.01 -1.26 -5.01 120.40 118.99 2kcx s VAL 7 Ca 0.00 0.52 -0.13 0.00 0.00 0.00 0.00 61.98 62.37 2kcx s VAL 7 Cb 0.00 -3.26 0.07 0.00 0.00 0.00 0.00 36.38 33.19 2kcx s VAL 7 CO 0.00 -0.00 0.34 -1.83 0.00 0.00 0.00 175.10 173.60 2kcx s GLU 8 N -2.77 2.83 0.36 2.72 1.03 -1.26 -4.76 118.70 116.85 2kcx s GLU 8 Ca 0.66 -1.38 -0.03 0.00 0.03 0.00 0.00 54.97 54.25 2kcx s GLU 8 Cb -0.33 -3.98 0.01 0.00 -0.80 0.00 0.00 34.13 29.02 2kcx s GLU 8 CO 0.40 -0.98 0.53 0.00 -1.33 0.00 0.00 175.26 173.87 2kcx n GLY 10 N -0.58 2.38 3.74 0.00 0.00 0.76 -4.91 105.19 106.57 2kcx n GLY 10 Ca -0.00 -0.61 -0.38 0.00 0.00 0.00 0.00 46.02 45.04 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 0.00 4.28 0.00 1.61 0.04 -1.26 -4.50 135.00 135.16 2kcx s PRO 11 Ca 0.00 0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.40 2kcx s PRO 11 Cb 0.00 -3.41 0.00 0.00 0.04 0.00 0.00 34.50 31.13 2kcx s PRO 11 CO 0.00 0.23 0.00 0.41 0.04 0.00 0.00 177.00 177.68 2kcx n GLY 12 N 3.14 1.58 3.12 0.56 0.00 -1.25 -4.91 105.19 107.43 2kcx n GLY 12 Ca -0.09 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 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 0.83 -0.08 1.61 1.02 -1.26 -0.11 119.74 121.75 2kcx s LYS 13 Ca 0.00 -0.71 0.04 0.00 0.02 0.00 0.00 55.97 55.32 2kcx s LYS 13 Cb 0.00 -0.81 -0.00 0.00 -0.52 0.00 0.00 37.83 36.50 2kcx s LYS 13 CO 0.00 0.20 -0.22 0.00 -0.92 0.00 0.00 175.35 174.41 2kcx s ALA 14 N -0.87 1.95 -0.26 5.17 0.00 -0.68 -0.17 121.76 126.89 2kcx s ALA 14 Ca -0.00 -0.87 -0.11 0.00 0.00 0.00 0.00 51.96 50.98 2kcx s ALA 14 Cb -0.08 -0.70 -0.05 0.00 0.00 0.00 0.00 23.12 22.29 2kcx s ALA 14 CO 0.01 0.29 0.18 0.00 0.00 0.00 0.00 175.76 176.24 2kcx s ARG 16 N 1.50 1.59 -0.46 0.00 1.70 -0.28 -4.51 118.95 118.50 2kcx s ARG 16 Ca 0.07 -1.79 -0.28 0.00 -0.47 0.00 0.00 55.73 53.26 2kcx s ARG 16 Cb -0.15 -1.34 0.03 0.00 -0.57 0.00 0.00 34.95 32.91 2kcx s ARG 16 CO 0.09 0.12 1.09 -1.64 -1.08 0.00 0.00 175.30 173.88 2kcx s MET 17 N -3.66 3.73 -0.36 3.89 -1.94 -1.26 -1.95 119.30 117.75 2kcx s MET 17 Ca 0.29 0.55 -0.01 0.00 -1.71 0.00 0.00 55.69 54.81 2kcx s MET 17 Cb 0.02 -3.89 0.09 0.00 2.01 0.00 0.00 34.83 33.06 2kcx s MET 17 CO 0.13 -1.31 0.11 -0.51 -0.01 0.00 0.00 175.02 173.43 2kcx s LEU 18 N 4.26 4.75 -1.46 -0.03 1.02 -0.22 -4.65 118.68 122.35 2kcx s LEU 18 Ca 0.46 -1.86 0.00 0.00 0.02 0.00 0.00 54.13 52.75 2kcx s LEU 18 Cb -0.08 -1.74 0.00 0.00 0.02 0.00 0.00 46.19 44.39 2kcx s LEU 18 CO 0.29 -0.42 0.00 0.61 0.02 0.00 0.00 176.35 176.85 2kcx n GLY 19 N 4.51 0.09 1.84 -3.19 0.00 -1.26 -2.07 105.19 105.12 2kcx n GLY 19 Ca -0.04 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.01 2.66 3.80 -0.02 0.00 -1.26 -5.04 105.19 104.32 2kcx n GLY 20 Ca -0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.50 4.04 -0.67 1.61 0.52 -0.88 -4.97 118.95 118.11 2kcx s ARG 21 Ca 0.00 0.41 -0.27 0.00 -0.52 0.00 0.00 55.73 55.34 2kcx s ARG 21 Cb 0.00 -3.28 0.02 0.00 0.52 0.00 0.00 34.95 32.21 2kcx s ARG 21 CO 0.00 0.55 1.37 -1.25 0.02 0.00 0.00 175.30 175.99 2kcx s PRO 22 N -0.62 3.18 -0.10 3.54 0.04 -1.26 -1.05 135.00 138.73 2kcx s PRO 22 Ca 0.24 0.08 -0.03 0.00 0.04 0.00 0.00 61.00 61.32 2kcx s PRO 22 Cb -0.16 -4.17 -0.03 0.00 0.04 0.00 0.00 34.50 30.17 2kcx s PRO 22 CO 0.12 -2.12 0.03 1.03 0.04 0.00 0.00 177.00 176.10 2kcx s ARG 23 N 5.76 3.14 -0.03 4.56 0.52 -0.82 -4.86 118.95 127.22 2kcx s ARG 23 Ca 0.44 -0.36 -0.02 0.00 -0.52 0.00 0.00 55.73 55.27 2kcx s ARG 23 Cb -0.09 -2.89 -0.04 0.00 0.52 0.00 0.00 34.95 32.46 2kcx s ARG 23 CO 0.19 0.67 0.10 0.00 0.02 0.00 0.00 175.30 176.28 2kcx s GLU 25 N -1.59 1.15 -0.53 0.00 2.02 -0.48 -4.91 118.70 114.35 2kcx s GLU 25 Ca 0.22 -1.43 -0.26 0.00 0.02 0.00 0.00 54.97 53.51 2kcx s GLU 25 Cb -0.12 -0.90 -0.06 0.00 0.10 0.00 0.00 34.13 33.16 2kcx s GLU 25 CO 0.12 0.15 2.26 0.00 0.02 0.00 0.00 175.26 177.81 2kcx s ALA 27 N 11.41 3.61 -0.41 0.00 0.00 0.84 -4.93 121.76 132.27 2kcx s ALA 27 Ca 0.89 -0.79 -0.29 0.00 0.00 0.00 0.00 51.96 51.77 2kcx s ALA 27 Cb -0.16 -2.37 0.02 0.00 0.00 0.00 0.00 23.12 20.61 2kcx s ALA 27 CO 0.24 -0.18 1.21 -2.14 0.00 0.00 0.00 175.76 174.90 2kcx s PRO 28 N 1.04 3.77 -0.73 0.00 0.02 -1.26 -3.85 135.00 133.99 2kcx s PRO 28 Ca 0.10 0.83 -0.26 0.00 0.02 0.00 0.00 61.00 61.69 2kcx s PRO 28 Cb -0.14 -3.90 -0.07 0.00 0.02 0.00 0.00 34.50 30.41 2kcx s PRO 28 CO 0.05 -1.31 2.14 -0.51 -0.33 0.00 0.00 177.00 177.04 2kcx s ASP 29 N 2.71 4.69 -0.07 2.53 1.11 -1.26 -4.72 116.67 121.66 2kcx s ASP 29 Ca 0.52 0.09 0.12 0.00 0.18 0.00 0.00 52.55 53.45 2kcx s ASP 29 Cb -0.11 -2.54 0.21 0.00 1.07 0.00 0.00 42.92 41.56 2kcx s ASP 29 CO 0.28 -3.00 1.10 0.00 1.18 0.00 0.00 175.17 174.74 2kcx h SER 31 N 0.26 0.00 -0.56 0.00 4.64 -2.04 -2.86 113.55 112.99 2kcx h SER 31 Ca -0.03 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.04 2kcx h SER 31 Cb 1.28 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.21 2kcx h SER 31 CO 0.01 0.21 0.17 0.61 -0.87 0.00 0.00 176.83 176.96 2kcx n GLY 32 N 0.08 4.52 3.28 -0.77 0.00 -1.26 -5.00 105.19 106.05 2kcx n GLY 32 Ca -0.00 -1.14 -0.25 0.00 0.00 0.00 0.00 46.02 44.63 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 -3.18 2.26 -0.10 0.99 1.43 -1.08 -5.11 118.68 113.88 2kcx s LEU 33 Ca 0.49 -0.64 -0.30 0.00 -1.03 0.00 0.00 54.13 52.66 2kcx s LEU 33 Cb 0.42 -0.95 -0.04 0.00 0.03 0.00 0.00 46.19 45.66 2kcx s LEU 33 CO 0.06 0.10 1.47 -2.84 0.23 0.00 0.00 176.35 175.37 2kcx s PRO 34 N -1.67 4.21 0.00 1.29 0.02 -1.26 -4.91 135.00 132.68 2kcx s PRO 34 Ca 0.07 1.95 0.24 0.00 0.02 0.00 0.00 61.00 63.28 2kcx s PRO 34 Cb -0.10 -3.87 0.29 0.00 0.02 0.00 0.00 34.50 30.85 2kcx s PRO 34 CO 0.04 -0.77 1.27 0.00 -0.33 0.00 0.00 177.00 177.20 2kcx n ALA 35 N 6.82 3.57 1.18 -1.55 0.00 -1.26 -4.03 120.51 125.24 2kcx n ALA 35 Ca 0.16 -0.52 0.13 0.00 0.00 0.00 0.00 53.44 53.20 2kcx n ALA 35 Cb 0.44 -0.95 0.35 0.00 0.00 0.00 0.00 19.45 19.29 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 -0.64 1.94 -4.04 0.00 1.74 -1.26 -4.84 116.66 109.55 2kcx n ARG 36 Ca 0.09 -1.38 -0.33 0.00 -0.77 0.00 0.00 57.85 55.46 2kcx n ARG 36 Cb 0.39 -1.46 -0.15 0.00 -1.02 0.00 0.00 32.46 30.22 2kcx n ARG 36 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2kcx s LEU 37 N -1.85 3.05 0.49 0.55 1.43 -1.26 -5.11 118.68 115.99 2kcx s LEU 37 Ca 0.34 -1.05 -0.22 0.00 -1.03 0.00 0.00 54.13 52.17 2kcx s LEU 37 Cb 0.20 -1.57 -0.06 0.00 0.03 0.00 0.00 46.19 44.78 2kcx s LEU 37 CO 0.31 -0.13 1.21 -1.10 0.23 0.00 0.00 176.35 176.87 2kcx s GLN 38 N 1.22 3.55 0.07 1.70 -0.21 -1.23 -4.01 119.66 120.76 2kcx s GLN 38 Ca -0.03 1.88 0.06 0.00 0.02 0.00 0.00 55.36 57.29 2kcx s GLN 38 Cb -0.17 -2.33 -0.03 0.00 1.00 0.00 0.00 33.01 31.48 2kcx s GLN 38 CO -0.07 -0.75 -0.15 0.14 -2.12 0.00 0.00 175.29 172.34 2kcx s VAL 39 N -1.50 1.22 -0.21 1.09 -7.23 -1.10 0.48 120.40 113.15 2kcx s VAL 39 Ca 0.67 -1.28 -0.10 0.00 -1.81 0.00 0.00 61.98 59.45 2kcx s VAL 39 Cb -0.31 -1.15 -0.05 0.00 0.56 0.00 0.00 36.38 35.43 2kcx s VAL 39 CO 0.37 -0.14 0.13 0.00 -0.31 0.00 0.00 175.10 175.15 2kcx s GLY 41 N 0.56 1.63 0.47 0.00 0.00 0.08 -1.30 107.32 108.75 2kcx s GLY 41 Ca 0.07 -0.11 0.30 0.00 0.00 0.00 0.00 44.72 44.98 2kcx s GLY 41 CO 0.00 0.32 1.90 0.23 0.00 0.00 0.00 173.10 175.56 2kcx h SER 42 N -1.23 0.00 0.32 1.64 0.87 0.14 -0.78 113.55 114.52 2kcx h SER 42 Ca -0.47 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 59.76 2kcx h SER 42 Cb 1.27 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 63.25 2kcx h SER 42 CO 0.57 0.00 -1.54 -2.24 -0.53 0.00 0.00 176.83 173.09 2kcx h ASP 43 N 0.00 0.67 0.00 6.23 2.03 -1.91 -3.49 116.42 119.95 2kcx h ASP 43 Ca 0.00 -0.81 0.00 0.00 -0.73 0.00 0.00 57.03 55.49 2kcx h ASP 43 Cb 0.09 -0.22 0.00 0.00 -0.83 0.00 0.00 39.33 38.37 2kcx h ASP 43 CO 0.00 1.65 0.00 0.61 -1.03 0.00 0.00 179.24 180.47 2kcx n GLY 44 N 1.73 0.13 3.80 7.15 0.00 -0.30 -5.14 105.19 112.55 2kcx n GLY 44 Ca -0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.73 3.41 -0.39 4.61 0.00 -1.26 -4.77 121.76 122.63 2kcx s ALA 45 Ca 0.00 0.27 -0.21 0.00 0.00 0.00 0.00 51.96 52.02 2kcx s ALA 45 Cb 0.00 -2.90 0.01 0.00 0.00 0.00 0.00 23.12 20.23 2kcx s ALA 45 CO 0.00 0.30 0.68 0.99 0.00 0.00 0.00 175.76 177.73 2kcx s THR 46 N -1.39 4.82 0.42 0.00 2.01 -1.26 -0.74 115.64 119.50 2kcx s THR 46 Ca 0.41 0.52 0.05 0.00 0.31 0.00 0.00 61.69 62.98 2kcx s THR 46 Cb -0.19 -4.15 0.01 0.00 0.01 0.00 0.00 72.50 68.17 2kcx s THR 46 CO 0.23 -0.44 0.59 -0.31 -0.69 0.00 0.00 174.62 174.00 2kcx s TYR 47 N 2.87 2.98 0.20 4.92 1.51 0.53 -4.97 117.35 125.39 2kcx s TYR 47 Ca 0.26 -0.17 -0.11 0.00 -1.01 0.00 0.00 57.07 56.04 2kcx s TYR 47 Cb -0.14 -2.32 0.18 0.00 -0.11 0.00 0.00 41.96 39.57 2kcx s TYR 47 CO 0.17 -0.37 1.82 0.00 -1.11 0.00 0.00 175.55 176.06 2kcx h ARG 48 N 0.57 0.70 0.00 -0.62 -0.00 -1.94 -2.91 114.38 110.17 2kcx h ARG 48 Ca -0.43 -0.04 0.16 0.00 -0.50 0.00 0.00 59.98 59.17 2kcx h ARG 48 Cb 1.27 -0.16 -0.03 0.00 0.00 0.00 0.00 29.97 31.06 2kcx h ARG 48 CO 0.51 0.46 0.58 -0.40 0.00 0.00 0.00 179.97 181.11 2kcx n ASP 49 N -4.75 -1.61 -0.08 7.04 5.68 -1.26 -3.51 116.55 118.06 2kcx n ASP 49 Ca 0.06 -1.82 -0.03 0.00 -0.50 0.00 0.00 54.79 52.51 2kcx n ASP 49 Cb 0.11 2.60 0.20 0.00 -1.14 0.00 0.00 41.12 42.90 2kcx n ASP 49 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 2kcx h GLU 50 N 0.00 0.71 -0.32 0.11 4.81 -1.75 -0.05 114.58 118.10 2kcx h GLU 50 Ca -0.25 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 58.80 2kcx h GLU 50 Cb 1.13 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.40 2kcx h GLU 50 CO 0.34 0.72 0.20 0.00 -0.73 0.00 0.00 179.01 179.54 2kcx h GLU 52 N 0.41 0.66 -0.03 0.00 4.57 -1.82 -1.59 114.58 116.79 2kcx h GLU 52 Ca 0.11 -0.04 0.01 0.00 -1.18 0.00 0.00 59.36 58.26 2kcx h GLU 52 Cb -0.00 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.43 2kcx h GLU 52 CO -0.02 0.44 -0.01 1.25 -1.18 0.00 0.00 179.01 179.49 2kcx h LEU 53 N 0.68 -0.04 -0.86 1.64 7.12 -0.60 0.26 115.31 123.52 2kcx h LEU 53 Ca 0.29 0.01 0.07 0.00 0.13 0.00 0.00 57.88 58.38 2kcx h LEU 53 Cb 0.17 0.02 -0.07 0.00 -0.53 0.00 0.00 40.66 40.26 2kcx h LEU 53 CO -0.17 -0.01 0.52 0.03 -0.13 0.00 0.00 178.44 178.67 2kcx h ARG 54 N -0.01 0.90 -0.78 1.25 3.08 -0.89 0.24 114.38 118.17 2kcx h ARG 54 Ca 0.01 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 2kcx h ARG 54 Cb 0.03 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 29.84 2kcx h ARG 54 CO -0.03 0.59 0.31 0.00 -1.07 0.00 0.00 179.97 179.78 2kcx h ALA 55 N 1.42 1.09 0.00 0.04 0.00 -0.90 -2.79 119.26 118.12 2kcx h ALA 55 Ca 0.39 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2kcx h ALA 55 Cb 0.24 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2kcx h ALA 55 CO -0.20 0.65 -0.06 0.00 0.00 0.00 0.00 179.25 179.64 2kcx h ALA 56 N 1.21 1.10 -0.18 0.00 0.00 0.14 0.28 119.26 121.82 2kcx h ALA 56 Ca 0.26 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 2kcx h ALA 56 Cb 0.20 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2kcx h ALA 56 CO -0.02 0.08 0.02 -0.09 0.00 0.00 0.00 179.25 179.24 2kcx h ARG 57 N 0.00 0.30 -0.01 0.00 2.43 -0.86 -2.96 114.38 113.27 2kcx h ARG 57 Ca -0.00 -0.09 -0.13 0.00 -0.81 0.00 0.00 59.98 58.95 2kcx h ARG 57 Cb 0.36 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 2kcx h ARG 57 CO 0.01 0.48 -0.61 0.00 -1.51 0.00 0.00 179.97 178.34 2kcx s ARG 59 N -3.65 3.87 0.00 0.00 3.52 0.92 -4.63 118.95 118.97 2kcx s ARG 59 Ca -0.02 -1.86 0.00 0.00 -0.13 0.00 0.00 55.73 53.72 2kcx s ARG 59 Cb 0.13 -5.34 0.00 0.00 -1.56 0.00 0.00 34.95 28.17 2kcx s ARG 59 CO 0.77 -2.11 0.00 0.41 -0.81 0.00 0.00 175.30 173.56 2kcx n GLY 60 N 5.55 2.08 3.05 8.12 0.00 -1.26 -4.74 105.19 117.99 2kcx n GLY 60 Ca 0.40 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 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 3.36 0.56 1.61 3.76 -1.21 -4.93 115.29 118.43 2kcx s HIS 61 Ca 0.00 -2.86 0.37 0.00 -0.15 0.00 0.00 55.06 52.42 2kcx s HIS 61 Cb 0.00 -3.08 2.02 0.00 1.11 0.00 0.00 32.58 32.63 2kcx s HIS 61 CO 0.00 -0.82 2.26 -1.35 -0.85 0.00 0.00 174.74 173.98 2kcx h PRO 62 N 6.91 0.00 -0.00 8.40 0.11 -1.62 -1.89 132.00 143.91 2kcx h PRO 62 Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.07 2kcx h PRO 62 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 2kcx h PRO 62 CO 0.70 0.02 -0.01 -0.25 -0.21 0.00 0.00 178.00 178.24 2kcx n ASP 63 N -3.38 0.13 -4.65 -2.05 9.92 -1.26 -4.86 116.55 110.39 2kcx n ASP 63 Ca -0.02 -0.64 -0.43 0.00 -0.53 0.00 0.00 54.79 53.17 2kcx n ASP 63 Cb 0.12 -0.12 -0.02 0.00 -0.64 0.00 0.00 41.12 40.46 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 -2.28 4.04 0.28 0.64 2.96 -0.71 -4.88 118.68 118.72 2kcx s LEU 64 Ca 0.38 1.36 0.07 0.00 -0.22 0.00 0.00 54.13 55.71 2kcx s LEU 64 Cb 0.21 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 43.30 2kcx s LEU 64 CO 0.42 -0.83 -0.06 -0.44 -1.32 0.00 0.00 176.35 174.11 2kcx s SER 65 N 1.88 2.73 -0.03 3.68 0.01 -1.26 -4.64 113.70 116.06 2kcx s SER 65 Ca 0.50 -1.19 -0.30 0.00 1.31 0.00 0.00 55.95 56.28 2kcx s SER 65 Cb -0.17 -0.16 -0.02 0.00 0.21 0.00 0.00 66.02 65.88 2kcx s SER 65 CO 0.14 -0.34 0.98 -0.69 0.41 0.00 0.00 173.24 173.75 2kcx s VAL 66 N -3.02 4.85 -0.06 3.43 1.01 -1.26 0.86 120.40 126.21 2kcx s VAL 66 Ca 0.29 2.04 -0.12 0.00 0.00 0.00 0.00 61.98 64.19 2kcx s VAL 66 Cb 0.04 -4.31 -0.08 0.00 0.00 0.00 0.00 36.38 32.03 2kcx s VAL 66 CO 0.12 0.11 0.51 0.24 0.00 0.00 0.00 175.10 176.08 2kcx h MET 67 N 6.89 -0.33 -2.66 2.72 2.86 -1.44 -3.46 114.93 119.51 2kcx h MET 67 Ca -0.38 0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.34 2kcx h MET 67 Cb 1.20 0.08 -0.13 0.00 0.06 0.00 0.00 31.60 32.81 2kcx h MET 67 CO 0.78 -0.15 0.35 1.52 1.06 0.00 0.00 176.91 180.47 2kcx s TYR 68 N -2.86 -0.41 -0.54 -0.22 -0.85 -1.26 -5.06 117.35 106.15 2kcx s TYR 68 Ca -0.07 0.22 -0.27 0.00 -0.52 0.00 0.00 57.07 56.42 2kcx s TYR 68 Cb 0.00 0.56 0.03 0.00 0.38 0.00 0.00 41.96 42.94 2kcx s TYR 68 CO 0.22 -0.74 1.11 1.03 -1.52 0.00 0.00 175.55 175.65 2kcx s ARG 69 N -3.46 3.53 0.00 -3.49 0.52 -1.26 -3.29 118.95 111.50 2kcx s ARG 69 Ca 0.04 0.22 0.00 0.00 -0.52 0.00 0.00 55.73 55.47 2kcx s ARG 69 Cb -0.01 -3.99 0.00 0.00 0.52 0.00 0.00 34.95 31.47 2kcx s ARG 69 CO -0.09 -1.53 0.00 0.41 0.02 0.00 0.00 175.30 174.10 2kcx n GLY 70 N 5.01 3.95 3.30 -3.53 0.00 0.18 -4.98 105.19 109.12 2kcx n GLY 70 Ca 0.08 -0.45 -0.38 0.00 0.00 0.00 0.00 46.02 45.27 2kcx n GLY 70 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2kcx n ARG 71 N -1.13 1.88 -2.46 1.61 0.63 -1.24 -3.84 116.66 112.12 2kcx n ARG 71 Ca 0.00 -2.33 0.00 0.00 -0.92 0.00 0.00 57.85 54.60 2kcx n ARG 71 Cb 0.00 -3.33 0.00 0.00 0.45 0.00 0.00 32.46 29.58 2kcx n ARG 71 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2kcx s ARG 73 N -0.61 3.38 0.00 0.00 0.52 -1.26 -5.16 118.95 115.82 2kcx s ARG 73 Ca 0.00 -0.13 0.00 0.00 -0.52 0.00 0.00 55.73 55.08 2kcx s ARG 73 Cb 0.00 -4.04 0.00 0.00 0.52 0.00 0.00 34.95 31.43 2kcx s ARG 73 CO 0.00 -1.53 0.17 0.36 0.02 0.00 0.00 175.30 174.32