#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 2.52 0.22 -3.46 -4.77 -1.26 -3.99 116.67 105.93 2kcx s ASP 2 Ca 0.00 -0.89 -0.19 0.00 -3.30 0.00 0.00 52.55 48.18 2kcx s ASP 2 Cb 0.00 0.03 0.03 0.00 -1.09 0.00 0.00 42.92 41.89 2kcx s ASP 2 CO 0.00 -0.40 0.59 -0.44 0.70 0.00 0.00 175.17 175.62 2kcx s SER 3 N 2.22 -0.28 -0.04 2.11 0.01 -1.26 -4.99 113.70 111.47 2kcx s SER 3 Ca 0.08 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 56.83 2kcx s SER 3 Cb -0.15 0.63 0.02 0.00 0.21 0.00 0.00 66.02 66.73 2kcx s SER 3 CO -0.29 -1.14 -0.02 0.00 0.41 0.00 0.00 173.24 172.20 2kcx s ASP 5 N 1.17 6.50 -0.86 0.00 2.15 -1.26 -4.34 116.67 120.03 2kcx s ASP 5 Ca -0.07 0.14 -0.02 0.00 0.43 0.00 0.00 52.55 53.03 2kcx s ASP 5 Cb -0.14 -2.42 0.01 0.00 -0.30 0.00 0.00 42.92 40.08 2kcx s ASP 5 CO -0.02 -0.91 0.08 0.61 -0.17 0.00 0.00 175.17 174.76 2kcx n GLY 6 N 4.81 -0.50 3.46 2.66 0.00 -1.26 -4.94 105.19 109.43 2kcx n GLY 6 Ca 0.04 0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.53 4.23 -0.50 1.61 1.01 -1.26 -5.07 120.40 117.89 2kcx s VAL 7 Ca 0.07 -0.21 -0.20 0.00 0.00 0.00 0.00 61.98 61.64 2kcx s VAL 7 Cb -0.04 -2.95 0.05 0.00 0.00 0.00 0.00 36.38 33.44 2kcx s VAL 7 CO 0.08 0.38 0.69 -1.61 0.00 0.00 0.00 175.10 174.64 2kcx s GLU 8 N 1.29 3.20 -0.12 2.72 0.41 -1.26 -5.00 118.70 119.94 2kcx s GLU 8 Ca 0.04 -0.63 -0.10 0.00 -0.41 0.00 0.00 54.97 53.87 2kcx s GLU 8 Cb -0.15 -4.05 0.03 0.00 -1.78 0.00 0.00 34.13 28.19 2kcx s GLU 8 CO 0.03 -1.22 0.32 0.00 -0.49 0.00 0.00 175.26 173.90 2kcx n GLY 10 N 3.10 5.58 0.12 0.00 0.00 -1.02 -4.86 105.19 108.10 2kcx n GLY 10 Ca -0.15 -1.07 0.06 0.00 0.00 0.00 0.00 46.02 44.86 2kcx n GLY 10 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2kcx n PRO 11 N 0.00 0.08 -0.04 1.61 -0.02 -1.26 -0.56 135.00 134.81 2kcx n PRO 11 Ca 0.00 0.53 -0.09 0.00 -2.02 0.00 0.00 63.50 61.92 2kcx n PRO 11 Cb 0.00 -1.94 -0.15 0.00 -0.02 0.00 0.00 33.50 31.40 2kcx n PRO 11 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kcx n GLY 12 N -1.30 -0.99 3.17 -1.23 0.00 -1.26 -4.66 105.19 98.92 2kcx n GLY 12 Ca -0.01 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.57 0.33 -0.11 1.61 1.02 0.28 -1.69 119.74 118.61 2kcx s LYS 13 Ca -0.06 0.50 -0.02 0.00 0.02 0.00 0.00 55.97 56.41 2kcx s LYS 13 Cb 0.07 0.08 -0.03 0.00 -0.52 0.00 0.00 37.83 37.43 2kcx s LYS 13 CO 0.82 -0.09 -0.02 0.00 -0.92 0.00 0.00 175.35 175.15 2kcx s ALA 14 N 0.59 3.14 -0.26 5.17 0.00 -0.32 -2.44 121.76 127.63 2kcx s ALA 14 Ca -0.03 -0.82 -0.11 0.00 0.00 0.00 0.00 51.96 50.99 2kcx s ALA 14 Cb -0.05 -1.48 -0.05 0.00 0.00 0.00 0.00 23.12 21.54 2kcx s ALA 14 CO -0.04 0.44 0.19 0.00 0.00 0.00 0.00 175.76 176.35 2kcx s ARG 16 N 1.48 1.65 -0.67 0.00 6.06 -0.15 -4.64 118.95 122.69 2kcx s ARG 16 Ca 0.08 -1.72 -0.28 0.00 -2.50 0.00 0.00 55.73 51.31 2kcx s ARG 16 Cb -0.15 -1.79 0.03 0.00 0.06 0.00 0.00 34.95 33.10 2kcx s ARG 16 CO 0.08 0.34 1.26 -1.64 -2.50 0.00 0.00 175.30 172.85 2kcx s MET 17 N -3.34 3.32 -0.30 5.12 -1.94 -1.26 -1.39 119.30 119.50 2kcx s MET 17 Ca 0.28 -0.01 -0.05 0.00 -1.71 0.00 0.00 55.69 54.20 2kcx s MET 17 Cb -0.06 -4.12 0.03 0.00 2.01 0.00 0.00 34.83 32.69 2kcx s MET 17 CO 0.14 -1.97 0.05 -0.51 -0.01 0.00 0.00 175.02 172.72 2kcx s LEU 18 N 5.49 3.85 -1.50 -0.03 1.02 0.03 -4.51 118.68 123.03 2kcx s LEU 18 Ca 0.39 -0.93 0.00 0.00 0.02 0.00 0.00 54.13 53.62 2kcx s LEU 18 Cb -0.08 -1.81 0.00 0.00 0.02 0.00 0.00 46.19 44.32 2kcx s LEU 18 CO 0.20 -0.22 0.00 0.61 0.02 0.00 0.00 176.35 176.95 2kcx n GLY 19 N 4.78 -0.32 3.14 -3.19 0.00 -1.26 -1.79 105.19 106.55 2kcx n GLY 19 Ca -0.14 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 0.88 3.43 -0.02 0.00 -1.26 -5.02 105.19 102.19 2kcx n GLY 20 Ca -0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.14 2.58 -0.09 1.61 0.52 -0.74 -5.00 118.95 117.69 2kcx s ARG 21 Ca 0.00 -0.73 -0.30 0.00 -0.52 0.00 0.00 55.73 54.18 2kcx s ARG 21 Cb 0.00 -2.36 -0.02 0.00 0.52 0.00 0.00 34.95 33.09 2kcx s ARG 21 CO 0.00 0.55 1.16 -1.25 0.02 0.00 0.00 175.30 175.78 2kcx s PRO 22 N -0.55 4.35 -0.06 3.54 0.04 -1.26 -0.79 135.00 140.26 2kcx s PRO 22 Ca 0.08 1.59 0.06 0.00 0.04 0.00 0.00 61.00 62.76 2kcx s PRO 22 Cb -0.11 -3.58 -0.01 0.00 0.04 0.00 0.00 34.50 30.83 2kcx s PRO 22 CO 0.01 -0.46 -0.24 1.03 0.04 0.00 0.00 177.00 177.38 2kcx s ARG 23 N 2.38 2.63 -0.27 4.56 0.52 -0.49 -4.91 118.95 123.39 2kcx s ARG 23 Ca 0.53 -0.89 -0.09 0.00 -0.52 0.00 0.00 55.73 54.76 2kcx s ARG 23 Cb -0.22 -2.20 -0.04 0.00 0.52 0.00 0.00 34.95 33.01 2kcx s ARG 23 CO 0.19 0.36 0.13 0.00 0.02 0.00 0.00 175.30 176.00 2kcx s GLU 25 N 1.68 1.53 -0.45 0.00 2.02 -0.56 -4.85 118.70 118.06 2kcx s GLU 25 Ca 0.07 -1.70 -0.32 0.00 0.02 0.00 0.00 54.97 53.03 2kcx s GLU 25 Cb -0.16 -1.46 -0.11 0.00 0.10 0.00 0.00 34.13 32.50 2kcx s GLU 25 CO 0.07 0.25 2.30 0.00 0.02 0.00 0.00 175.26 177.90 2kcx s ALA 27 N 8.61 3.57 -0.31 0.00 0.00 -0.68 -4.84 121.76 128.11 2kcx s ALA 27 Ca 1.10 -0.69 0.27 0.00 0.00 0.00 0.00 51.96 52.64 2kcx s ALA 27 Cb -0.73 -2.64 0.79 0.00 0.00 0.00 0.00 23.12 20.55 2kcx s ALA 27 CO 0.43 -0.45 1.76 -1.00 0.00 0.00 0.00 175.76 176.50 2kcx h PRO 28 N 7.74 0.00 -4.70 0.00 0.13 -1.84 -3.41 132.00 129.92 2kcx h PRO 28 Ca -0.34 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.79 2kcx h PRO 28 Cb 1.16 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.21 2kcx h PRO 28 CO 0.68 0.00 -1.20 -3.47 -0.23 0.00 0.00 178.00 173.78 2kcx n ASP 29 N -2.91 -2.54 -0.43 1.44 2.03 -1.26 -4.68 116.55 108.20 2kcx n ASP 29 Ca 0.03 1.15 0.07 0.00 0.52 0.00 0.00 54.79 56.57 2kcx n ASP 29 Cb 0.42 -4.61 0.17 0.00 -0.72 0.00 0.00 41.12 36.38 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 -2.99 5.08 0.00 0.00 0.01 -1.26 -3.11 113.70 111.44 2kcx s SER 31 Ca 0.34 1.03 0.00 0.00 1.31 0.00 0.00 55.95 58.64 2kcx s SER 31 Cb 0.33 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 64.04 2kcx s SER 31 CO -0.03 -2.39 0.00 0.61 0.41 0.00 0.00 173.24 171.83 2kcx n GLY 32 N 5.78 0.83 3.87 3.44 0.00 -1.26 -5.04 105.19 112.80 2kcx n GLY 32 Ca 0.29 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.00 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 3.87 -0.07 0.99 0.05 -1.18 -5.02 118.68 117.32 2kcx s LEU 33 Ca 0.00 1.18 -0.30 0.00 0.05 0.00 0.00 54.13 55.07 2kcx s LEU 33 Cb 0.00 -4.05 -0.05 0.00 -2.05 0.00 0.00 46.19 40.04 2kcx s LEU 33 CO 0.00 -0.36 1.66 -2.16 -0.55 0.00 0.00 176.35 174.93 2kcx s PRO 34 N -3.67 4.13 -1.26 1.48 0.04 -1.26 -4.94 135.00 129.53 2kcx s PRO 34 Ca 0.52 2.14 -0.13 0.00 0.04 0.00 0.00 61.00 63.57 2kcx s PRO 34 Cb -0.10 -4.00 0.15 0.00 0.04 0.00 0.00 34.50 30.59 2kcx s PRO 34 CO 0.28 -0.90 1.64 0.00 0.04 0.00 0.00 177.00 178.06 2kcx n ALA 35 N 7.32 4.37 0.00 8.56 0.00 -1.26 -3.88 120.51 135.61 2kcx n ALA 35 Ca 0.18 -4.20 0.00 0.00 0.00 0.00 0.00 53.44 49.41 2kcx n ALA 35 Cb 0.43 -3.12 0.00 0.00 0.00 0.00 0.00 19.45 16.76 2kcx n ALA 35 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2kcx n ARG 36 N 5.45 0.00 -4.05 0.00 1.85 -1.26 -5.10 116.66 113.55 2kcx n ARG 36 Ca 0.40 0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 56.93 2kcx n ARG 36 Cb 0.41 0.00 -0.15 0.00 -1.05 0.00 0.00 32.46 31.67 2kcx n ARG 36 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 2kcx s LEU 37 N 0.00 4.04 0.49 2.89 2.96 -1.25 -5.00 118.68 122.81 2kcx s LEU 37 Ca 0.00 -1.74 -0.23 0.00 -0.22 0.00 0.00 54.13 51.94 2kcx s LEU 37 Cb 0.00 -1.59 -0.07 0.00 0.50 0.00 0.00 46.19 45.04 2kcx s LEU 37 CO 0.00 -0.27 1.32 -1.10 -1.32 0.00 0.00 176.35 174.98 2kcx s GLN 38 N 1.01 3.49 -0.00 1.98 -0.21 -1.14 -1.78 119.66 123.00 2kcx s GLN 38 Ca -0.00 2.16 -0.02 0.00 0.02 0.00 0.00 55.36 57.52 2kcx s GLN 38 Cb -0.20 -2.43 -0.00 0.00 1.00 0.00 0.00 33.01 31.38 2kcx s GLN 38 CO -0.06 -0.88 0.03 0.14 -2.12 0.00 0.00 175.29 172.39 2kcx s VAL 39 N -1.33 0.04 -0.22 1.09 -7.23 -0.81 0.19 120.40 112.12 2kcx s VAL 39 Ca 0.66 -0.31 -0.09 0.00 -1.81 0.00 0.00 61.98 60.43 2kcx s VAL 39 Cb -0.38 -0.15 -0.04 0.00 0.56 0.00 0.00 36.38 36.37 2kcx s VAL 39 CO 0.47 -0.17 0.11 0.00 -0.31 0.00 0.00 175.10 175.20 2kcx s GLY 41 N 0.92 1.58 0.00 0.00 0.00 0.49 -4.15 107.32 106.15 2kcx s GLY 41 Ca 0.06 -0.43 0.08 0.00 0.00 0.00 0.00 44.72 44.42 2kcx s GLY 41 CO 0.03 0.13 1.14 -1.26 0.00 0.00 0.00 173.10 173.13 2kcx n SER 42 N -3.87 0.00 -0.05 1.64 2.88 0.05 -1.90 113.62 112.37 2kcx n SER 42 Ca 0.06 0.23 -0.10 0.00 -1.33 0.00 0.00 58.87 57.72 2kcx n SER 42 Cb 0.58 -0.32 -0.15 0.00 -0.75 0.00 0.00 64.21 63.58 2kcx n SER 42 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2kcx n ASP 43 N -1.32 0.72 0.00 -3.46 5.75 -1.26 -5.01 116.55 111.97 2kcx n ASP 43 Ca 0.03 0.24 0.00 0.00 -0.01 0.00 0.00 54.79 55.05 2kcx n ASP 43 Cb 0.07 0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.38 2kcx n ASP 43 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kcx n GLY 44 N 1.68 1.27 3.73 6.12 0.00 -0.80 -5.12 105.19 112.07 2kcx n GLY 44 Ca -0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.36 3.24 -0.45 4.61 0.00 -1.26 -4.77 121.76 121.76 2kcx s ALA 45 Ca 0.00 0.58 -0.17 0.00 0.00 0.00 0.00 51.96 52.37 2kcx s ALA 45 Cb 0.00 -3.28 0.04 0.00 0.00 0.00 0.00 23.12 19.88 2kcx s ALA 45 CO 0.00 -0.03 0.46 0.99 0.00 0.00 0.00 175.76 177.18 2kcx s THR 46 N 0.01 5.09 0.38 0.00 2.01 -1.26 -0.38 115.64 121.48 2kcx s THR 46 Ca 0.47 -0.58 -0.15 0.00 0.31 0.00 0.00 61.69 61.74 2kcx s THR 46 Cb -0.23 -4.11 -0.09 0.00 0.01 0.00 0.00 72.50 68.08 2kcx s THR 46 CO 0.30 -0.54 0.80 -0.31 -0.69 0.00 0.00 174.62 174.17 2kcx s TYR 47 N 2.10 3.40 0.51 4.92 2.02 0.11 -4.91 117.35 125.50 2kcx s TYR 47 Ca 0.10 1.25 0.19 0.00 -0.37 0.00 0.00 57.07 58.25 2kcx s TYR 47 Cb -0.19 -2.58 1.29 0.00 -0.40 0.00 0.00 41.96 40.07 2kcx s TYR 47 CO 0.11 -0.03 2.07 0.00 -1.57 0.00 0.00 175.55 176.13 2kcx h ARG 48 N 1.82 0.05 -3.28 -0.62 2.47 -1.92 -2.15 114.38 110.76 2kcx h ARG 48 Ca -0.48 -0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.20 2kcx h ARG 48 Cb 1.18 -0.01 -0.13 0.00 -1.65 0.00 0.00 29.97 29.36 2kcx h ARG 48 CO 0.64 0.03 0.00 0.34 0.56 0.00 0.00 179.97 181.54 2kcx s ASP 49 N -6.64 -0.32 0.20 7.04 2.15 -1.25 -2.90 116.67 114.95 2kcx s ASP 49 Ca -0.05 -0.22 -0.10 0.00 0.43 0.00 0.00 52.55 52.60 2kcx s ASP 49 Cb 0.18 0.50 0.17 0.00 -0.30 0.00 0.00 42.92 43.48 2kcx s ASP 49 CO 0.70 -0.88 1.85 -0.08 -0.17 0.00 0.00 175.17 176.60 2kcx h GLU 50 N 2.29 0.83 -0.64 4.34 4.81 -1.65 -1.22 114.58 123.34 2kcx h GLU 50 Ca -0.34 -0.05 0.07 0.00 -0.13 0.00 0.00 59.36 58.91 2kcx h GLU 50 Cb 1.27 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 30.42 2kcx h GLU 50 CO 0.44 0.55 0.43 0.00 -0.73 0.00 0.00 179.01 179.70 2kcx h GLU 52 N 0.59 0.95 -0.53 0.00 4.57 -1.64 -0.83 114.58 117.68 2kcx h GLU 52 Ca 0.28 -0.28 -0.06 0.00 -1.18 0.00 0.00 59.36 58.13 2kcx h GLU 52 Cb 0.35 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.82 2kcx h GLU 52 CO -0.09 0.93 0.10 1.25 -1.18 0.00 0.00 179.01 180.02 2kcx h LEU 53 N 0.83 0.83 -0.31 1.64 6.46 -0.73 0.29 115.31 124.32 2kcx h LEU 53 Ca 0.16 -0.25 0.06 0.00 -0.12 0.00 0.00 57.88 57.73 2kcx h LEU 53 Cb 0.47 -0.22 -0.06 0.00 -0.73 0.00 0.00 40.66 40.12 2kcx h LEU 53 CO 0.02 0.87 -0.05 0.03 -0.62 0.00 0.00 178.44 178.69 2kcx h ARG 54 N 0.76 0.03 -0.66 1.25 2.47 -0.88 -0.98 114.38 116.36 2kcx h ARG 54 Ca 0.16 -0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.87 2kcx h ARG 54 Cb 0.39 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.67 2kcx h ARG 54 CO 0.01 0.02 0.39 0.00 0.56 0.00 0.00 179.97 180.94 2kcx h ALA 55 N 1.30 0.84 -0.83 0.04 0.00 -0.96 -2.66 119.26 116.98 2kcx h ALA 55 Ca 0.15 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.08 2kcx h ALA 55 Cb 0.22 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 2kcx h ALA 55 CO -0.30 0.33 0.54 0.00 0.00 0.00 0.00 179.25 179.82 2kcx h ALA 56 N 1.19 1.76 -0.83 0.00 0.00 -0.17 0.25 119.26 121.47 2kcx h ALA 56 Ca 0.24 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.15 2kcx h ALA 56 Cb -0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 2kcx h ALA 56 CO -0.04 0.06 0.55 -0.09 0.00 0.00 0.00 179.25 179.72 2kcx h ARG 57 N 0.75 1.08 0.00 0.00 2.43 -0.84 -0.68 114.38 117.11 2kcx h ARG 57 Ca 0.39 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 2kcx h ARG 57 Cb 0.50 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 2kcx h ARG 57 CO -0.16 0.72 -0.21 0.00 -1.51 0.00 0.00 179.97 178.81 2kcx n ARG 59 N -2.35 2.63 -0.12 0.00 0.63 0.72 -4.75 116.66 113.43 2kcx n ARG 59 Ca 0.05 -3.15 0.00 0.00 -0.92 0.00 0.00 57.85 53.83 2kcx n ARG 59 Cb 0.45 -2.23 0.00 0.00 0.45 0.00 0.00 32.46 31.13 2kcx n ARG 59 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2kcx n GLY 60 N -0.13 0.62 2.64 5.14 0.00 -1.24 -4.90 105.19 107.32 2kcx n GLY 60 Ca 0.53 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.27 2kcx n GLY 60 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kcx n HIS 61 N -2.02 1.95 0.28 1.61 8.25 -1.14 -4.94 115.22 119.21 2kcx n HIS 61 Ca 0.00 -3.97 0.16 0.00 -0.26 0.00 0.00 57.72 53.64 2kcx n HIS 61 Cb 0.00 -0.36 0.81 0.00 1.12 0.00 0.00 29.99 31.56 2kcx n HIS 61 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2kcx h PRO 62 N 5.15 0.00 -0.21 -0.41 0.11 -1.85 -2.27 132.00 132.51 2kcx h PRO 62 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 2kcx h PRO 62 Cb 0.79 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.90 2kcx h PRO 62 CO 0.63 0.07 0.00 -0.25 -0.21 0.00 0.00 178.00 178.24 2kcx n ASP 63 N -3.42 2.20 -4.69 -2.05 8.00 -1.26 -4.92 116.55 110.41 2kcx n ASP 63 Ca -0.02 -1.79 -0.42 0.00 0.71 0.00 0.00 54.79 53.27 2kcx n ASP 63 Cb 0.22 -0.14 -0.03 0.00 -0.02 0.00 0.00 41.12 41.16 2kcx n ASP 63 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2kcx s LEU 64 N -1.58 4.25 0.14 0.64 2.96 -0.85 -4.96 118.68 119.29 2kcx s LEU 64 Ca 0.34 1.51 0.01 0.00 -0.22 0.00 0.00 54.13 55.77 2kcx s LEU 64 Cb 0.19 -3.52 -0.04 0.00 0.50 0.00 0.00 46.19 43.31 2kcx s LEU 64 CO 0.28 -0.42 0.01 -0.94 -1.32 0.00 0.00 176.35 173.95 2kcx s SER 65 N 1.09 0.93 -0.24 3.68 1.04 -1.26 -4.82 113.70 114.11 2kcx s SER 65 Ca 0.48 -1.15 -0.10 0.00 0.48 0.00 0.00 55.95 55.66 2kcx s SER 65 Cb -0.18 0.17 -0.05 0.00 0.10 0.00 0.00 66.02 66.06 2kcx s SER 65 CO 0.18 -0.60 0.14 0.54 0.98 0.00 0.00 173.24 174.49 2kcx s VAL 66 N -3.77 5.17 -0.18 5.02 0.11 -1.26 -0.77 120.40 124.71 2kcx s VAL 66 Ca 0.21 0.11 -0.17 0.00 -2.93 0.00 0.00 61.98 59.21 2kcx s VAL 66 Cb 0.06 -3.41 -0.13 0.00 -1.53 0.00 0.00 36.38 31.37 2kcx s VAL 66 CO 0.01 0.35 0.08 0.24 -3.33 0.00 0.00 175.10 172.46 2kcx h MET 67 N 7.58 0.00 -3.78 1.54 2.86 -1.89 -3.49 114.93 117.75 2kcx h MET 67 Ca -0.38 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.12 2kcx h MET 67 Cb 1.17 0.00 -0.19 0.00 0.06 0.00 0.00 31.60 32.64 2kcx h MET 67 CO 0.64 0.63 -0.56 1.52 1.06 0.00 0.00 176.91 180.20 2kcx s TYR 68 N -2.30 0.19 0.08 -0.22 -0.85 -1.26 -5.15 117.35 107.83 2kcx s TYR 68 Ca -0.23 -0.44 -0.27 0.00 -0.52 0.00 0.00 57.07 55.61 2kcx s TYR 68 Cb 0.04 -0.14 -0.06 0.00 0.38 0.00 0.00 41.96 42.19 2kcx s TYR 68 CO 0.45 -0.30 0.86 1.03 -1.52 0.00 0.00 175.55 176.06 2kcx s ARG 69 N -2.08 4.59 0.00 -3.49 0.52 -1.26 -3.73 118.95 113.51 2kcx s ARG 69 Ca -0.10 1.25 0.00 0.00 -0.52 0.00 0.00 55.73 56.36 2kcx s ARG 69 Cb -0.04 -3.37 0.00 0.00 0.52 0.00 0.00 34.95 32.06 2kcx s ARG 69 CO -0.02 0.26 0.00 0.41 0.02 0.00 0.00 175.30 175.97 2kcx n GLY 70 N 2.30 0.05 3.87 -3.53 0.00 0.13 -4.92 105.19 103.09 2kcx n GLY 70 Ca -0.00 -2.24 -0.31 0.00 0.00 0.00 0.00 46.02 43.47 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 0.00 3.83 -0.20 1.61 0.52 -1.26 -0.81 118.95 122.64 2kcx s ARG 71 Ca 0.00 0.50 -0.31 0.00 -0.52 0.00 0.00 55.73 55.40 2kcx s ARG 71 Cb 0.00 -2.41 -0.08 0.00 0.52 0.00 0.00 34.95 32.98 2kcx s ARG 71 CO 0.00 0.02 2.14 0.00 0.02 0.00 0.00 175.30 177.48 2kcx s ARG 73 N 5.78 2.10 0.00 0.00 1.70 -1.26 -5.16 118.95 122.12 2kcx s ARG 73 Ca 1.00 -0.94 0.00 0.00 -0.47 0.00 0.00 55.73 55.33 2kcx s ARG 73 Cb -0.51 -2.08 0.00 0.00 -0.57 0.00 0.00 34.95 31.79 2kcx s ARG 73 CO 0.41 0.56 0.23 1.17 -1.08 0.00 0.00 175.30 176.59