#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 5.88 -0.17 6.43 1.11 -1.26 -4.96 116.67 123.70 2kcx s ASP 2 Ca 0.00 -1.67 0.00 0.00 0.18 0.00 0.00 52.55 51.06 2kcx s ASP 2 Cb 0.00 -2.08 0.04 0.00 1.07 0.00 0.00 42.92 41.94 2kcx s ASP 2 CO 0.00 -0.68 -0.10 -0.44 1.18 0.00 0.00 175.17 175.12 2kcx s SER 3 N 2.73 3.00 -0.20 0.27 0.01 -1.26 -5.06 113.70 113.18 2kcx s SER 3 Ca 0.04 -0.69 -0.09 0.00 1.31 0.00 0.00 55.95 56.52 2kcx s SER 3 Cb -0.26 -1.13 -0.04 0.00 0.21 0.00 0.00 66.02 64.79 2kcx s SER 3 CO 0.02 -0.12 0.10 0.00 0.41 0.00 0.00 173.24 173.65 2kcx s ASP 5 N 0.56 6.65 0.00 0.00 1.01 -1.26 -4.20 116.67 119.42 2kcx s ASP 5 Ca 0.06 0.54 0.00 0.00 0.71 0.00 0.00 52.55 53.86 2kcx s ASP 5 Cb -0.12 -2.43 0.00 0.00 1.01 0.00 0.00 42.92 41.37 2kcx s ASP 5 CO 0.00 -0.76 0.00 0.61 0.21 0.00 0.00 175.17 175.23 2kcx n GLY 6 N 4.37 1.67 3.58 0.21 0.00 -1.26 -4.92 105.19 108.84 2kcx n GLY 6 Ca 0.05 0.00 -0.41 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 3.38 -0.47 1.61 1.01 -1.26 -4.95 120.40 119.72 2kcx s VAL 7 Ca 0.00 0.33 -0.16 0.00 0.00 0.00 0.00 61.98 62.14 2kcx s VAL 7 Cb 0.00 -3.70 0.06 0.00 0.00 0.00 0.00 36.38 32.74 2kcx s VAL 7 CO 0.00 -0.57 0.43 -1.61 0.00 0.00 0.00 175.10 173.35 2kcx s GLU 8 N 6.44 3.01 -0.02 2.72 2.02 -1.26 -4.82 118.70 126.80 2kcx s GLU 8 Ca 0.77 -1.22 0.02 0.00 0.02 0.00 0.00 54.97 54.56 2kcx s GLU 8 Cb -0.18 -4.11 0.00 0.00 0.10 0.00 0.00 34.13 29.94 2kcx s GLU 8 CO 0.28 -1.04 -0.08 0.00 0.02 0.00 0.00 175.26 174.44 2kcx n GLY 10 N 3.16 -1.94 3.56 0.00 0.00 -0.03 -4.73 105.19 105.21 2kcx n GLY 10 Ca -0.16 0.60 -0.25 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.15 1.17 0.00 1.61 -0.02 -1.26 -2.95 135.00 131.40 2kcx n PRO 11 Ca 0.00 -2.22 0.00 0.00 -2.02 0.00 0.00 63.50 59.26 2kcx n PRO 11 Cb 0.00 -3.74 0.00 0.00 -0.02 0.00 0.00 33.50 29.74 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 5.81 0.56 3.12 -1.23 0.00 -1.26 -5.04 105.19 107.17 2kcx n GLY 12 Ca 0.44 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.34 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 -0.95 0.49 -0.00 1.61 1.02 -1.15 -0.64 119.74 120.11 2kcx s LYS 13 Ca 0.00 -0.30 0.03 0.00 0.02 0.00 0.00 55.97 55.72 2kcx s LYS 13 Cb 0.00 0.21 -0.01 0.00 -0.52 0.00 0.00 37.83 37.51 2kcx s LYS 13 CO 0.00 -0.12 -0.09 0.00 -0.92 0.00 0.00 175.35 174.23 2kcx s ALA 14 N -1.22 0.72 -0.01 5.17 0.00 -0.55 -0.85 121.76 125.02 2kcx s ALA 14 Ca -0.13 -0.41 -0.03 0.00 0.00 0.00 0.00 51.96 51.39 2kcx s ALA 14 Cb -0.07 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.85 2kcx s ALA 14 CO 0.02 0.17 0.18 0.00 0.00 0.00 0.00 175.76 176.12 2kcx s ARG 16 N -1.89 1.37 -0.58 0.00 6.06 0.14 -4.87 118.95 119.17 2kcx s ARG 16 Ca 0.27 -0.40 -0.27 0.00 -2.50 0.00 0.00 55.73 52.82 2kcx s ARG 16 Cb -0.13 -1.20 0.00 0.00 0.06 0.00 0.00 34.95 33.68 2kcx s ARG 16 CO 0.18 0.11 1.58 -1.64 -2.50 0.00 0.00 175.30 173.03 2kcx s MET 17 N 0.32 3.06 -0.15 5.12 -1.94 -1.26 -0.70 119.30 123.75 2kcx s MET 17 Ca -0.07 0.50 -0.00 0.00 -1.71 0.00 0.00 55.69 54.41 2kcx s MET 17 Cb -0.12 -4.23 0.03 0.00 2.01 0.00 0.00 34.83 32.53 2kcx s MET 17 CO 0.02 -2.23 -0.09 -0.51 -0.01 0.00 0.00 175.02 172.20 2kcx s LEU 18 N 7.10 1.60 -1.80 -0.03 1.43 0.05 -4.80 118.68 122.22 2kcx s LEU 18 Ca 0.57 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 2kcx s LEU 18 Cb -0.12 -1.00 0.00 0.00 0.03 0.00 0.00 46.19 45.10 2kcx s LEU 18 CO 0.23 -0.13 0.00 0.61 0.23 0.00 0.00 176.35 177.29 2kcx n GLY 19 N 4.84 0.41 1.34 -3.19 0.00 -1.26 -1.41 105.19 105.92 2kcx n GLY 19 Ca -0.14 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.86 0.72 3.04 -0.02 0.00 -1.26 -5.05 105.19 101.75 2kcx n GLY 20 Ca -0.22 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.55 0.93 -0.26 1.61 0.52 -0.50 -5.12 118.95 115.57 2kcx s ARG 21 Ca 0.00 -0.36 -0.28 0.00 -0.52 0.00 0.00 55.73 54.56 2kcx s ARG 21 Cb 0.00 -0.88 0.01 0.00 0.52 0.00 0.00 34.95 34.60 2kcx s ARG 21 CO 0.00 0.19 1.02 -1.25 0.02 0.00 0.00 175.30 175.28 2kcx s PRO 22 N -0.10 4.19 -0.10 3.54 0.04 -1.26 -0.77 135.00 140.55 2kcx s PRO 22 Ca 0.02 1.21 -0.01 0.00 0.04 0.00 0.00 61.00 62.25 2kcx s PRO 22 Cb -0.06 -3.67 -0.03 0.00 0.04 0.00 0.00 34.50 30.78 2kcx s PRO 22 CO -0.00 -0.69 -0.04 1.03 0.04 0.00 0.00 177.00 177.34 2kcx s ARG 23 N 3.27 3.06 -0.10 4.56 1.81 0.12 -4.78 118.95 126.88 2kcx s ARG 23 Ca 0.43 -0.51 -0.04 0.00 -1.72 0.00 0.00 55.73 53.89 2kcx s ARG 23 Cb -0.14 -2.73 -0.04 0.00 -0.45 0.00 0.00 34.95 31.59 2kcx s ARG 23 CO 0.09 0.56 0.06 0.00 -0.68 0.00 0.00 175.30 175.33 2kcx s GLU 25 N -0.94 1.10 -0.19 0.00 2.02 -0.48 -4.93 118.70 115.28 2kcx s GLU 25 Ca 0.14 -1.48 -0.30 0.00 0.02 0.00 0.00 54.97 53.34 2kcx s GLU 25 Cb -0.12 -0.63 -0.08 0.00 0.10 0.00 0.00 34.13 33.40 2kcx s GLU 25 CO 0.03 0.06 2.14 0.00 0.02 0.00 0.00 175.26 177.51 2kcx s ALA 27 N 7.02 3.39 -1.03 0.00 0.00 0.19 -4.86 121.76 126.47 2kcx s ALA 27 Ca 1.00 -1.12 -0.23 0.00 0.00 0.00 0.00 51.96 51.60 2kcx s ALA 27 Cb -0.49 -2.34 -0.02 0.00 0.00 0.00 0.00 23.12 20.27 2kcx s ALA 27 CO 0.41 -0.55 1.81 -1.25 0.00 0.00 0.00 175.76 176.17 2kcx s PRO 28 N 1.70 2.93 -0.67 0.00 0.04 -1.26 -4.00 135.00 133.75 2kcx s PRO 28 Ca 0.07 -0.85 -0.23 0.00 0.04 0.00 0.00 61.00 60.02 2kcx s PRO 28 Cb -0.16 -5.22 0.06 0.00 0.04 0.00 0.00 34.50 29.22 2kcx s PRO 28 CO 0.08 -3.12 1.02 0.34 0.04 0.00 0.00 177.00 175.36 2kcx s ASP 29 N 6.59 6.18 -0.15 6.66 2.15 -1.26 -5.00 116.67 131.84 2kcx s ASP 29 Ca 0.62 -0.88 -0.10 0.00 0.43 0.00 0.00 52.55 52.63 2kcx s ASP 29 Cb -0.03 -2.44 -0.05 0.00 -0.30 0.00 0.00 42.92 40.10 2kcx s ASP 29 CO 0.01 -1.50 0.19 0.00 -0.17 0.00 0.00 175.17 173.70 2kcx n SER 31 N 2.85 0.00 -2.00 0.00 3.41 -1.26 -4.72 113.62 111.90 2kcx n SER 31 Ca -0.16 0.01 -0.21 0.00 -0.26 0.00 0.00 58.87 58.24 2kcx n SER 31 Cb 0.53 -0.20 0.05 0.00 -0.26 0.00 0.00 64.21 64.33 2kcx n SER 31 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kcx n GLY 32 N 2.11 4.52 3.26 5.00 0.00 -1.26 -4.90 105.19 113.92 2kcx n GLY 32 Ca 0.00 -1.38 -0.31 0.00 0.00 0.00 0.00 46.02 44.33 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 -2.33 2.06 0.29 0.99 1.43 -1.26 -5.12 118.68 114.73 2kcx s LEU 33 Ca 0.40 -0.50 -0.29 0.00 -1.03 0.00 0.00 54.13 52.70 2kcx s LEU 33 Cb 0.31 -1.35 -0.10 0.00 0.03 0.00 0.00 46.19 45.09 2kcx s LEU 33 CO -0.00 0.25 1.16 -2.16 0.23 0.00 0.00 176.35 175.82 2kcx s PRO 34 N -0.19 4.56 -0.04 1.29 0.04 -1.26 -4.84 135.00 134.56 2kcx s PRO 34 Ca -0.02 1.91 -0.08 0.00 0.04 0.00 0.00 61.00 62.84 2kcx s PRO 34 Cb -0.13 -3.16 -0.05 0.00 0.04 0.00 0.00 34.50 31.20 2kcx s PRO 34 CO 0.03 0.10 0.24 0.00 0.04 0.00 0.00 177.00 177.41 2kcx s ALA 35 N -1.08 3.83 0.00 8.56 0.00 -1.26 -4.01 121.76 127.80 2kcx s ALA 35 Ca 0.46 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.88 2kcx s ALA 35 Cb -0.34 -2.08 0.00 0.00 0.00 0.00 0.00 23.12 20.70 2kcx s ALA 35 CO 0.44 0.61 0.00 0.54 0.00 0.00 0.00 175.76 177.34 2kcx n ARG 36 N 1.59 -0.98 -3.06 0.00 1.74 -1.26 -4.93 116.66 109.76 2kcx n ARG 36 Ca -0.15 0.24 -0.45 0.00 -0.77 0.00 0.00 57.85 56.73 2kcx n ARG 36 Cb 0.54 -4.38 -0.03 0.00 -1.02 0.00 0.00 32.46 27.56 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 0.00 5.39 0.28 0.55 1.98 -1.22 -4.85 118.68 120.80 2kcx s LEU 37 Ca 0.00 -1.77 -0.30 0.00 -2.89 0.00 0.00 54.13 49.18 2kcx s LEU 37 Cb 0.00 -2.33 -0.13 0.00 0.66 0.00 0.00 46.19 44.39 2kcx s LEU 37 CO 0.00 -1.05 1.34 0.00 -1.89 0.00 0.00 176.35 174.74 2kcx n GLN 38 N 6.19 2.02 -4.25 1.98 6.02 -0.80 -3.76 117.38 124.78 2kcx n GLN 38 Ca 0.05 0.72 -0.17 0.00 -0.01 0.00 0.00 57.00 57.59 2kcx n GLN 38 Cb 0.45 -2.32 -0.11 0.00 1.02 0.00 0.00 30.24 29.28 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 -0.51 1.30 -0.30 5.09 -7.23 -0.90 0.34 120.40 118.18 2kcx s VAL 39 Ca 0.63 -1.86 -0.11 0.00 -1.81 0.00 0.00 61.98 58.82 2kcx s VAL 39 Cb -0.62 -1.66 -0.04 0.00 0.56 0.00 0.00 36.38 34.62 2kcx s VAL 39 CO 0.55 -0.54 0.20 0.00 -0.31 0.00 0.00 175.10 175.00 2kcx s GLY 41 N 1.73 1.68 0.38 0.00 0.00 -0.75 -1.40 107.32 108.96 2kcx s GLY 41 Ca 0.07 -0.92 0.15 0.00 0.00 0.00 0.00 44.72 44.02 2kcx s GLY 41 CO 0.10 -0.56 1.78 0.23 0.00 0.00 0.00 173.10 174.65 2kcx h SER 42 N -0.38 0.52 -0.56 1.64 0.87 -1.13 0.29 113.55 114.80 2kcx h SER 42 Ca -0.44 0.08 0.07 0.00 -1.23 0.00 0.00 61.79 60.27 2kcx h SER 42 Cb 1.30 -0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.22 2kcx h SER 42 CO 0.59 0.13 0.38 -0.78 -0.53 0.00 0.00 176.83 176.62 2kcx h ASP 43 N 0.48 0.41 0.00 6.23 3.58 -1.88 -3.46 116.42 121.77 2kcx h ASP 43 Ca 0.57 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.03 2kcx h ASP 43 Cb 1.32 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.29 2kcx h ASP 43 CO -0.30 0.26 0.00 0.61 -2.88 0.00 0.00 179.24 176.92 2kcx n GLY 44 N -1.50 1.04 3.51 -0.78 0.00 0.09 -5.11 105.19 102.44 2kcx n GLY 44 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 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 2.75 -0.24 4.61 0.00 -1.26 -4.87 121.76 120.76 2kcx s ALA 45 Ca 0.00 -1.20 -0.24 0.00 0.00 0.00 0.00 51.96 50.52 2kcx s ALA 45 Cb 0.00 -0.82 -0.01 0.00 0.00 0.00 0.00 23.12 22.29 2kcx s ALA 45 CO 0.00 0.60 0.78 0.99 0.00 0.00 0.00 175.76 178.13 2kcx s THR 46 N -1.03 4.87 0.20 0.00 2.01 -1.26 -1.81 115.64 118.62 2kcx s THR 46 Ca 0.17 1.47 0.04 0.00 0.31 0.00 0.00 61.69 63.67 2kcx s THR 46 Cb -0.11 -4.07 -0.03 0.00 0.01 0.00 0.00 72.50 68.30 2kcx s THR 46 CO 0.08 -0.04 0.33 -0.31 -0.69 0.00 0.00 174.62 173.99 2kcx s TYR 47 N 2.72 3.47 0.28 4.92 1.51 -0.09 -4.95 117.35 125.20 2kcx s TYR 47 Ca 0.33 0.06 0.03 0.00 -1.01 0.00 0.00 57.07 56.48 2kcx s TYR 47 Cb -0.15 -1.63 0.68 0.00 -0.11 0.00 0.00 41.96 40.74 2kcx s TYR 47 CO 0.08 0.47 1.72 0.00 -1.11 0.00 0.00 175.55 176.70 2kcx h ARG 48 N 1.63 0.45 -2.03 -0.62 2.47 -1.92 -2.40 114.38 111.97 2kcx h ARG 48 Ca -0.50 -0.03 0.28 0.00 -1.26 0.00 0.00 59.98 58.47 2kcx h ARG 48 Cb 1.21 -0.10 -0.08 0.00 -1.65 0.00 0.00 29.97 29.35 2kcx h ARG 48 CO 0.65 0.30 0.77 0.16 0.56 0.00 0.00 179.97 182.40 2kcx s ASP 49 N -5.25 -0.03 0.44 7.04 1.47 -1.26 -1.90 116.67 117.18 2kcx s ASP 49 Ca -0.12 -0.31 0.12 0.00 1.18 0.00 0.00 52.55 53.42 2kcx s ASP 49 Cb 0.24 0.27 0.97 0.00 -0.34 0.00 0.00 42.92 44.05 2kcx s ASP 49 CO 0.78 -0.51 2.02 -0.08 0.68 0.00 0.00 175.17 178.05 2kcx h GLU 50 N 2.00 0.19 -0.54 2.11 4.81 -1.70 0.83 114.58 122.27 2kcx h GLU 50 Ca -0.26 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 58.84 2kcx h GLU 50 Cb 1.20 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.53 2kcx h GLU 50 CO 0.31 0.24 -0.07 0.00 -0.73 0.00 0.00 179.01 178.76 2kcx h GLU 52 N 0.88 0.79 -0.70 0.00 4.57 -1.72 -2.81 114.58 115.59 2kcx h GLU 52 Ca 0.15 -0.37 0.04 0.00 -1.18 0.00 0.00 59.36 57.99 2kcx h GLU 52 Cb 0.63 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 29.16 2kcx h GLU 52 CO 0.04 1.00 0.43 1.25 -1.18 0.00 0.00 179.01 180.54 2kcx h LEU 53 N 0.67 0.69 -1.13 1.64 6.46 -0.64 -0.50 115.31 122.49 2kcx h LEU 53 Ca 0.07 0.01 0.05 0.00 -0.12 0.00 0.00 57.88 57.89 2kcx h LEU 53 Cb 0.86 -0.14 -0.06 0.00 -0.73 0.00 0.00 40.66 40.59 2kcx h LEU 53 CO 0.07 0.47 0.59 0.03 -0.62 0.00 0.00 178.44 178.99 2kcx h ARG 54 N 0.82 1.05 0.34 1.25 2.47 -1.21 -0.37 114.38 118.73 2kcx h ARG 54 Ca 0.29 -0.06 -0.02 0.00 -1.26 0.00 0.00 59.98 58.93 2kcx h ARG 54 Cb 0.06 -0.24 0.00 0.00 -1.65 0.00 0.00 29.97 28.15 2kcx h ARG 54 CO -0.13 0.69 -0.16 0.00 0.56 0.00 0.00 179.97 180.93 2kcx h ALA 55 N 1.49 -0.46 -0.62 0.04 0.00 -0.94 -0.30 119.26 118.48 2kcx h ALA 55 Ca 0.38 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.16 2kcx h ALA 55 Cb 0.13 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2kcx h ALA 55 CO -0.13 -0.67 0.41 0.00 0.00 0.00 0.00 179.25 178.85 2kcx h ALA 56 N -0.02 1.60 0.03 0.00 0.00 -0.96 0.24 119.26 120.15 2kcx h ALA 56 Ca -0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2kcx h ALA 56 Cb 0.45 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2kcx h ALA 56 CO 0.08 0.36 -0.01 -0.09 0.00 0.00 0.00 179.25 179.58 2kcx h ARG 57 N 0.80 -0.04 -0.25 0.00 2.43 -0.96 -2.97 114.38 113.39 2kcx h ARG 57 Ca 0.24 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.37 2kcx h ARG 57 Cb -0.03 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 2kcx h ARG 57 CO -0.06 0.20 -0.00 0.00 -1.51 0.00 0.00 179.97 178.59 2kcx h ARG 59 N 0.36 0.18 0.00 0.00 9.65 -0.44 -3.44 114.38 120.70 2kcx h ARG 59 Ca 0.08 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.91 2kcx h ARG 59 Cb 0.25 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.82 2kcx h ARG 59 CO 0.01 0.42 0.00 0.41 2.80 0.00 0.00 179.97 183.60 2kcx n GLY 60 N -0.66 0.00 2.52 2.80 0.00 -1.08 -5.09 105.19 103.68 2kcx n GLY 60 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 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 1.54 0.36 1.61 3.76 -0.34 -4.98 115.29 117.24 2kcx s HIS 61 Ca 0.00 -2.40 0.23 0.00 -0.15 0.00 0.00 55.06 52.74 2kcx s HIS 61 Cb 0.00 -1.31 1.20 0.00 1.11 0.00 0.00 32.58 33.58 2kcx s HIS 61 CO 0.00 -0.78 1.98 -1.00 -0.85 0.00 0.00 174.74 174.10 2kcx h PRO 62 N 5.92 0.00 0.00 8.40 0.13 -1.91 -2.57 132.00 141.97 2kcx h PRO 62 Ca 0.19 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.32 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 0.42 0.19 -0.00 0.22 -0.23 0.00 0.00 178.00 178.60 2kcx h ASP 63 N 0.00 0.00 -2.79 1.44 3.58 -1.93 -3.45 116.42 113.27 2kcx h ASP 63 Ca -0.00 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 56.88 2kcx h ASP 63 Cb 0.46 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.48 2kcx h ASP 63 CO 0.02 0.00 1.18 -0.22 -2.88 0.00 0.00 179.24 177.34 2kcx s LEU 64 N -6.19 3.72 0.21 2.28 2.96 -0.97 -4.69 118.68 116.00 2kcx s LEU 64 Ca 0.03 1.42 0.04 0.00 -0.22 0.00 0.00 54.13 55.40 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 0.58 -1.44 -0.03 -0.94 -1.32 0.00 0.00 176.35 173.20 2kcx s SER 65 N 4.87 1.84 -0.40 3.68 1.04 -1.26 -4.89 113.70 118.57 2kcx s SER 65 Ca 0.73 -1.17 -0.24 0.00 0.48 0.00 0.00 55.95 55.76 2kcx s SER 65 Cb -0.23 0.00 0.02 0.00 0.10 0.00 0.00 66.02 65.91 2kcx s SER 65 CO 0.31 -0.46 0.81 -0.69 0.98 0.00 0.00 173.24 174.19 2kcx s VAL 66 N -3.39 4.66 -0.03 5.02 1.01 -1.26 -0.60 120.40 125.82 2kcx s VAL 66 Ca 0.26 0.75 -0.18 0.00 0.00 0.00 0.00 61.98 62.81 2kcx s VAL 66 Cb 0.05 -4.28 -0.32 0.00 0.00 0.00 0.00 36.38 31.82 2kcx s VAL 66 CO 0.07 -0.58 0.87 0.24 0.00 0.00 0.00 175.10 175.70 2kcx h MET 67 N 8.71 0.39 -1.89 2.72 2.86 -1.52 -3.48 114.93 122.72 2kcx h MET 67 Ca -0.25 -0.66 0.13 0.00 -2.06 0.00 0.00 59.70 56.86 2kcx h MET 67 Cb 1.09 0.25 -0.19 0.00 0.06 0.00 0.00 31.60 32.81 2kcx h MET 67 CO 0.95 1.32 0.58 1.52 1.06 0.00 0.00 176.91 182.33 2kcx s TYR 68 N -2.51 -0.31 -0.12 -0.22 -0.85 -1.23 -5.04 117.35 107.07 2kcx s TYR 68 Ca -0.13 0.31 -0.27 0.00 -0.52 0.00 0.00 57.07 56.46 2kcx s TYR 68 Cb 0.03 0.51 -0.02 0.00 0.38 0.00 0.00 41.96 42.86 2kcx s TYR 68 CO 0.87 -0.41 0.89 1.03 -1.52 0.00 0.00 175.55 176.40 2kcx s ARG 69 N -2.33 4.38 0.00 -3.49 0.52 -1.26 -1.08 118.95 115.69 2kcx s ARG 69 Ca 0.04 1.16 0.00 0.00 -0.52 0.00 0.00 55.73 56.41 2kcx s ARG 69 Cb -0.01 -3.54 0.00 0.00 0.52 0.00 0.00 34.95 31.92 2kcx s ARG 69 CO -0.05 -0.25 0.00 0.41 0.02 0.00 0.00 175.30 175.43 2kcx n GLY 70 N 3.25 0.85 3.79 -3.53 0.00 0.15 -4.90 105.19 104.80 2kcx n GLY 70 Ca 0.05 -2.09 -0.39 0.00 0.00 0.00 0.00 46.02 43.59 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 -1.08 4.42 -0.64 1.61 0.52 -1.26 -2.30 118.95 120.22 2kcx s ARG 71 Ca 0.00 0.99 -0.26 0.00 -0.52 0.00 0.00 55.73 55.95 2kcx s ARG 71 Cb 0.00 -3.24 -0.11 0.00 0.52 0.00 0.00 34.95 32.13 2kcx s ARG 71 CO 0.00 0.59 2.42 0.00 0.02 0.00 0.00 175.30 178.33 2kcx s ARG 73 N 8.61 3.04 0.00 0.00 1.81 -1.26 -4.97 118.95 126.19 2kcx s ARG 73 Ca 0.96 -0.83 0.08 0.00 -1.72 0.00 0.00 55.73 54.22 2kcx s ARG 73 Cb -0.16 -2.51 0.07 0.00 -0.45 0.00 0.00 34.95 31.90 2kcx s ARG 73 CO 0.17 -0.07 0.77 1.17 -0.68 0.00 0.00 175.30 176.66