#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 6.39 -0.04 6.43 1.11 -1.26 -5.09 116.67 124.20 2kcx s ASP 2 Ca 0.00 0.46 0.03 0.00 0.18 0.00 0.00 52.55 53.22 2kcx s ASP 2 Cb 0.00 -2.14 0.00 0.00 1.07 0.00 0.00 42.92 41.85 2kcx s ASP 2 CO 0.00 0.20 -0.13 -0.55 1.18 0.00 0.00 175.17 175.86 2kcx s SER 3 N 0.04 1.77 -0.09 0.27 0.15 -1.26 -4.95 113.70 109.63 2kcx s SER 3 Ca 0.14 -0.29 0.03 0.00 0.70 0.00 0.00 55.95 56.53 2kcx s SER 3 Cb -0.13 -0.56 0.01 0.00 -1.71 0.00 0.00 66.02 63.63 2kcx s SER 3 CO 0.03 0.10 -0.17 0.00 1.20 0.00 0.00 173.24 174.40 2kcx s ASP 5 N 0.69 6.45 0.00 0.00 1.11 -1.26 -4.46 116.67 119.20 2kcx s ASP 5 Ca -0.13 0.02 0.00 0.00 0.18 0.00 0.00 52.55 52.62 2kcx s ASP 5 Cb -0.16 -2.40 0.00 0.00 1.07 0.00 0.00 42.92 41.43 2kcx s ASP 5 CO 0.03 -0.93 0.00 0.61 1.18 0.00 0.00 175.17 176.07 2kcx n GLY 6 N 4.91 1.00 3.73 0.21 0.00 -1.26 -4.93 105.19 108.85 2kcx n GLY 6 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 2.77 -0.56 1.61 1.01 -1.26 -4.93 120.40 119.03 2kcx s VAL 7 Ca 0.00 0.58 -0.28 0.00 0.00 0.00 0.00 61.98 62.28 2kcx s VAL 7 Cb 0.00 -3.37 0.01 0.00 0.00 0.00 0.00 36.38 33.02 2kcx s VAL 7 CO 0.00 0.06 1.40 -0.70 0.00 0.00 0.00 175.10 175.86 2kcx s GLU 8 N 0.62 3.33 0.35 2.72 2.56 -1.26 -4.83 118.70 122.20 2kcx s GLU 8 Ca 0.65 0.45 0.07 0.00 0.00 0.00 0.00 54.97 56.15 2kcx s GLU 8 Cb -0.42 -4.11 -0.03 0.00 2.00 0.00 0.00 34.13 31.57 2kcx s GLU 8 CO 0.35 -1.90 0.26 0.00 -0.56 0.00 0.00 175.26 173.40 2kcx n GLY 10 N -0.69 2.19 3.56 0.00 0.00 -0.22 -4.93 105.19 105.09 2kcx n GLY 10 Ca 0.05 -0.74 -0.19 0.00 0.00 0.00 0.00 46.02 45.14 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 1.79 -1.34 1.61 0.04 -1.26 -2.60 135.00 133.24 2kcx s PRO 11 Ca 0.00 0.60 0.00 0.00 0.04 0.00 0.00 61.00 61.64 2kcx s PRO 11 Cb 0.00 -4.76 0.00 0.00 0.04 0.00 0.00 34.50 29.78 2kcx s PRO 11 CO 0.00 -4.11 0.00 0.41 0.04 0.00 0.00 177.00 173.34 2kcx n GLY 12 N 6.64 0.80 3.07 0.56 0.00 -1.26 -4.99 105.19 110.02 2kcx n GLY 12 Ca 0.44 -0.36 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.75 0.37 0.01 1.61 1.02 -1.07 -0.60 119.74 117.34 2kcx s LYS 13 Ca 0.00 -0.21 -0.02 0.00 0.02 0.00 0.00 55.97 55.76 2kcx s LYS 13 Cb 0.00 0.16 -0.01 0.00 -0.52 0.00 0.00 37.83 37.46 2kcx s LYS 13 CO 0.00 -0.08 0.02 0.00 -0.92 0.00 0.00 175.35 174.37 2kcx s ALA 14 N -0.91 -0.02 -0.02 5.17 0.00 0.23 -1.06 121.76 125.16 2kcx s ALA 14 Ca -0.10 -0.41 0.03 0.00 0.00 0.00 0.00 51.96 51.48 2kcx s ALA 14 Cb -0.06 0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.16 2kcx s ALA 14 CO 0.01 -0.16 -0.10 0.00 0.00 0.00 0.00 175.76 175.50 2kcx s ARG 16 N -1.15 1.33 -0.63 0.00 1.81 -0.46 -4.63 118.95 115.22 2kcx s ARG 16 Ca 0.14 -1.64 -0.24 0.00 -1.72 0.00 0.00 55.73 52.27 2kcx s ARG 16 Cb -0.11 -0.84 0.05 0.00 -0.45 0.00 0.00 34.95 33.61 2kcx s ARG 16 CO 0.04 0.02 1.02 -1.64 -0.68 0.00 0.00 175.30 174.07 2kcx s MET 17 N -3.77 3.22 -0.35 3.54 -1.94 -1.26 -1.22 119.30 117.52 2kcx s MET 17 Ca 0.25 -0.48 -0.08 0.00 -1.71 0.00 0.00 55.69 53.67 2kcx s MET 17 Cb 0.03 -4.15 0.03 0.00 2.01 0.00 0.00 34.83 32.76 2kcx s MET 17 CO 0.07 -1.75 0.14 -0.51 -0.01 0.00 0.00 175.02 172.97 2kcx s LEU 18 N 4.36 4.44 -1.44 -0.03 1.02 0.21 -4.54 118.68 122.71 2kcx s LEU 18 Ca 0.28 -1.05 0.00 0.00 0.02 0.00 0.00 54.13 53.38 2kcx s LEU 18 Cb -0.13 -1.93 0.00 0.00 0.02 0.00 0.00 46.19 44.14 2kcx s LEU 18 CO 0.15 -0.34 0.00 0.61 0.02 0.00 0.00 176.35 176.79 2kcx n GLY 19 N 4.89 0.31 1.60 -3.19 0.00 -1.26 -1.78 105.19 105.75 2kcx n GLY 19 Ca -0.12 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.03 1.16 3.31 -0.02 0.00 -1.26 -5.04 105.19 102.30 2kcx n GLY 20 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.47 3.30 -0.30 1.61 3.00 -0.74 -5.05 118.95 120.30 2kcx s ARG 21 Ca 0.00 -0.71 -0.29 0.00 0.00 0.00 0.00 55.73 54.73 2kcx s ARG 21 Cb 0.00 -2.68 -0.00 0.00 0.00 0.00 0.00 34.95 32.27 2kcx s ARG 21 CO 0.00 0.06 1.41 -1.25 0.00 0.00 0.00 175.30 175.52 2kcx s PRO 22 N 0.74 3.80 0.16 3.54 0.04 -1.26 -0.62 135.00 141.41 2kcx s PRO 22 Ca -0.06 1.29 0.11 0.00 0.04 0.00 0.00 61.00 62.38 2kcx s PRO 22 Cb -0.15 -3.95 -0.04 0.00 0.04 0.00 0.00 34.50 30.39 2kcx s PRO 22 CO 0.01 -1.27 -0.25 1.03 0.04 0.00 0.00 177.00 176.56 2kcx s ARG 23 N 4.48 1.42 -0.10 4.56 1.81 -0.36 -4.88 118.95 125.88 2kcx s ARG 23 Ca 0.61 -1.42 -0.04 0.00 -1.72 0.00 0.00 55.73 53.16 2kcx s ARG 23 Cb -0.18 -1.79 -0.04 0.00 -0.45 0.00 0.00 34.95 32.49 2kcx s ARG 23 CO 0.27 0.40 0.07 0.00 -0.68 0.00 0.00 175.30 175.36 2kcx s GLU 25 N -0.97 1.19 0.28 0.00 2.02 0.23 -4.95 118.70 116.51 2kcx s GLU 25 Ca 0.14 -1.53 -0.29 0.00 0.02 0.00 0.00 54.97 53.32 2kcx s GLU 25 Cb -0.12 -0.82 -0.09 0.00 0.10 0.00 0.00 34.13 33.20 2kcx s GLU 25 CO 0.03 0.10 1.05 0.00 0.02 0.00 0.00 175.26 176.46 2kcx s ALA 27 N -1.23 2.32 -0.55 0.00 0.00 0.23 -4.83 121.76 117.70 2kcx s ALA 27 Ca 0.45 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 51.33 2kcx s ALA 27 Cb -0.29 -1.06 0.00 0.00 0.00 0.00 0.00 23.12 21.77 2kcx s ALA 27 CO 0.37 -0.03 0.71 -2.30 0.00 0.00 0.00 175.76 174.51 2kcx n PRO 28 N 4.06 0.98 -3.88 0.00 -0.02 -1.26 -4.64 135.00 130.25 2kcx n PRO 28 Ca -0.20 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 60.99 2kcx n PRO 28 Cb 0.52 -1.28 0.03 0.00 -0.02 0.00 0.00 33.50 32.75 2kcx n PRO 28 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2kcx n ASP 29 N 0.23 -4.96 -4.56 2.55 8.00 -1.26 -4.82 116.55 111.73 2kcx n ASP 29 Ca 0.00 -0.75 -0.28 0.00 0.71 0.00 0.00 54.79 54.47 2kcx n ASP 29 Cb 0.35 -4.03 -0.05 0.00 -0.02 0.00 0.00 41.12 37.38 2kcx n ASP 29 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kcx s SER 31 N 7.63 -0.43 0.00 0.00 0.15 -1.26 -4.96 113.70 114.84 2kcx s SER 31 Ca 0.68 0.81 0.00 0.00 0.70 0.00 0.00 55.95 58.14 2kcx s SER 31 Cb -0.05 0.79 0.00 0.00 -1.71 0.00 0.00 66.02 65.04 2kcx s SER 31 CO 0.01 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 174.91 2kcx n GLY 32 N 3.20 1.64 3.76 9.45 0.00 -1.26 -4.97 105.19 117.01 2kcx n GLY 32 Ca -0.16 -0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 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 3.56 -0.10 0.99 2.34 -1.26 -4.91 118.68 119.30 2kcx s LEU 33 Ca 0.00 2.24 -0.34 0.00 0.06 0.00 0.00 54.13 56.09 2kcx s LEU 33 Cb 0.00 -4.58 -0.11 0.00 -0.56 0.00 0.00 46.19 40.94 2kcx s LEU 33 CO 0.00 -1.62 1.92 -2.65 -1.06 0.00 0.00 176.35 172.94 2kcx n PRO 34 N -1.90 2.18 -0.00 1.48 -0.02 -1.26 -4.85 135.00 130.63 2kcx n PRO 34 Ca 0.12 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 2kcx n PRO 34 Cb 0.51 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 2kcx n PRO 34 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kcx n ALA 35 N 7.03 2.05 -0.99 3.55 0.00 -1.26 -3.60 120.51 127.29 2kcx n ALA 35 Ca 0.23 -0.95 0.03 0.00 0.00 0.00 0.00 53.44 52.75 2kcx n ALA 35 Cb 0.31 -0.01 0.04 0.00 0.00 0.00 0.00 19.45 19.79 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 -0.43 1.14 -4.43 0.00 1.74 -1.26 -4.82 116.66 108.59 2kcx n ARG 36 Ca 0.00 -1.45 -0.28 0.00 -0.77 0.00 0.00 57.85 55.35 2kcx n ARG 36 Cb 0.23 -0.91 -0.17 0.00 -1.02 0.00 0.00 32.46 30.60 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 -1.05 1.70 0.55 0.55 0.20 -1.26 -5.00 118.68 114.36 2kcx s LEU 37 Ca 0.09 -0.42 -0.21 0.00 0.69 0.00 0.00 54.13 54.28 2kcx s LEU 37 Cb 0.08 -1.06 -0.05 0.00 -0.43 0.00 0.00 46.19 44.73 2kcx s LEU 37 CO 0.01 0.01 1.27 -1.10 -0.29 0.00 0.00 176.35 176.25 2kcx s GLN 38 N 1.00 3.15 0.02 1.98 -0.21 -1.05 -3.89 119.66 120.66 2kcx s GLN 38 Ca -0.06 2.02 0.01 0.00 0.02 0.00 0.00 55.36 57.34 2kcx s GLN 38 Cb -0.15 -2.15 -0.01 0.00 1.00 0.00 0.00 33.01 31.69 2kcx s GLN 38 CO -0.02 -1.12 -0.04 0.14 -2.12 0.00 0.00 175.29 172.14 2kcx s VAL 39 N -1.43 0.22 -0.16 1.09 -7.23 -0.65 0.42 120.40 112.65 2kcx s VAL 39 Ca 0.73 -0.64 -0.06 0.00 -1.81 0.00 0.00 61.98 60.20 2kcx s VAL 39 Cb -0.35 -0.29 -0.04 0.00 0.56 0.00 0.00 36.38 36.26 2kcx s VAL 39 CO 0.40 -0.28 0.03 0.00 -0.31 0.00 0.00 175.10 174.95 2kcx s GLY 41 N 0.16 1.76 0.56 0.00 0.00 0.02 -2.32 107.32 107.50 2kcx s GLY 41 Ca 0.03 -1.74 0.26 0.00 0.00 0.00 0.00 44.72 43.28 2kcx s GLY 41 CO 0.01 -1.17 2.02 1.76 0.00 0.00 0.00 173.10 175.73 2kcx h SER 42 N -0.53 0.00 -0.06 1.64 0.02 -0.46 0.29 113.55 114.45 2kcx h SER 42 Ca -0.36 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 2kcx h SER 42 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 2kcx h SER 42 CO 0.40 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.56 2kcx n ASP 43 N -4.08 0.35 0.00 3.07 9.92 -1.26 -4.86 116.55 119.70 2kcx n ASP 43 Ca 0.06 -1.82 0.00 0.00 -0.53 0.00 0.00 54.79 52.50 2kcx n ASP 43 Cb 0.49 -0.04 0.00 0.00 -0.64 0.00 0.00 41.12 40.93 2kcx n ASP 43 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kcx n GLY 44 N 0.70 0.32 3.67 0.44 0.00 0.09 -4.99 105.19 105.42 2kcx n GLY 44 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.69 3.53 -0.53 4.61 0.00 -1.25 -4.74 121.76 121.69 2kcx s ALA 45 Ca 0.00 -0.36 -0.21 0.00 0.00 0.00 0.00 51.96 51.39 2kcx s ALA 45 Cb 0.00 -2.79 0.06 0.00 0.00 0.00 0.00 23.12 20.39 2kcx s ALA 45 CO 0.00 -0.37 0.75 0.99 0.00 0.00 0.00 175.76 177.13 2kcx s THR 46 N 1.47 4.68 0.57 0.00 2.01 -1.26 -0.80 115.64 122.32 2kcx s THR 46 Ca 0.25 -0.27 -0.13 0.00 0.31 0.00 0.00 61.69 61.85 2kcx s THR 46 Cb -0.15 -4.41 -0.05 0.00 0.01 0.00 0.00 72.50 67.89 2kcx s THR 46 CO 0.10 -0.96 1.00 -0.31 -0.69 0.00 0.00 174.62 173.75 2kcx s TYR 47 N 3.14 3.56 0.45 4.92 2.02 0.15 -4.86 117.35 126.73 2kcx s TYR 47 Ca 0.20 1.33 0.19 0.00 -0.37 0.00 0.00 57.07 58.42 2kcx s TYR 47 Cb -0.17 -2.72 1.15 0.00 -0.40 0.00 0.00 41.96 39.82 2kcx s TYR 47 CO 0.14 -0.54 1.91 0.00 -1.57 0.00 0.00 175.55 175.49 2kcx h ARG 48 N 0.20 0.30 -2.08 -0.62 3.08 -1.92 -1.72 114.38 111.63 2kcx h ARG 48 Ca -0.45 -0.02 0.24 0.00 0.07 0.00 0.00 59.98 59.82 2kcx h ARG 48 Cb 1.19 -0.07 -0.08 0.00 0.08 0.00 0.00 29.97 31.09 2kcx h ARG 48 CO 0.62 0.20 0.66 0.16 -1.07 0.00 0.00 179.97 180.54 2kcx s ASP 49 N -5.86 -0.08 0.21 7.04 1.47 -1.26 -2.51 116.67 115.68 2kcx s ASP 49 Ca -0.07 -0.36 -0.10 0.00 1.18 0.00 0.00 52.55 53.19 2kcx s ASP 49 Cb 0.21 0.35 0.20 0.00 -0.34 0.00 0.00 42.92 43.35 2kcx s ASP 49 CO 0.77 -0.67 1.83 -0.08 0.68 0.00 0.00 175.17 177.70 2kcx h GLU 50 N 2.00 0.77 -0.84 2.11 4.57 -1.67 -0.11 114.58 121.40 2kcx h GLU 50 Ca -0.27 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 57.83 2kcx h GLU 50 Cb 1.21 -0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 29.59 2kcx h GLU 50 CO 0.30 0.51 0.39 0.00 -1.18 0.00 0.00 179.01 179.03 2kcx h GLU 52 N 1.21 0.69 0.16 0.00 4.57 -1.74 -0.78 114.58 118.69 2kcx h GLU 52 Ca 0.29 -0.13 -0.01 0.00 -1.18 0.00 0.00 59.36 58.33 2kcx h GLU 52 Cb 0.14 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.62 2kcx h GLU 52 CO -0.03 0.63 -0.08 1.25 -1.18 0.00 0.00 179.01 179.60 2kcx h LEU 53 N 0.60 -0.18 -1.12 1.64 6.46 -0.74 -0.70 115.31 121.26 2kcx h LEU 53 Ca 0.15 -0.03 -0.08 0.00 -0.12 0.00 0.00 57.88 57.80 2kcx h LEU 53 Cb 0.20 0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.16 2kcx h LEU 53 CO -0.01 -0.09 -0.21 0.03 -0.62 0.00 0.00 178.44 177.54 2kcx h ARG 54 N -0.26 0.36 0.12 1.25 3.08 -1.26 0.20 114.38 117.86 2kcx h ARG 54 Ca -0.02 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 2kcx h ARG 54 Cb 0.21 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2kcx h ARG 54 CO 0.04 0.56 -0.06 0.00 -1.07 0.00 0.00 179.97 179.44 2kcx h ALA 55 N 1.46 -0.16 -0.49 0.04 0.00 -0.99 -0.16 119.26 118.97 2kcx h ALA 55 Ca 0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2kcx h ALA 55 Cb 0.56 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2kcx h ALA 55 CO 0.04 -0.49 0.26 0.00 0.00 0.00 0.00 179.25 179.05 2kcx h ALA 56 N 0.51 1.54 0.02 0.00 0.00 -0.89 0.63 119.26 121.08 2kcx h ALA 56 Ca -0.02 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2kcx h ALA 56 Cb 0.28 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2kcx h ALA 56 CO 0.03 0.38 -0.01 -0.09 0.00 0.00 0.00 179.25 179.56 2kcx h ARG 57 N 0.68 -0.03 -0.32 0.00 1.12 -0.40 -2.55 114.38 112.88 2kcx h ARG 57 Ca 0.17 0.00 -0.09 0.00 -1.11 0.00 0.00 59.98 58.95 2kcx h ARG 57 Cb 0.03 0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 29.99 2kcx h ARG 57 CO -0.03 0.01 -0.19 0.00 -3.11 0.00 0.00 179.97 176.66 2kcx h ARG 59 N 0.52 -1.12 0.00 0.00 9.65 -0.71 -3.43 114.38 119.29 2kcx h ARG 59 Ca 0.08 0.08 -0.05 0.00 -1.10 0.00 0.00 59.98 58.99 2kcx h ARG 59 Cb 0.62 0.25 -0.05 0.00 -1.39 0.00 0.00 29.97 29.40 2kcx h ARG 59 CO 0.04 -0.75 -0.12 0.41 2.80 0.00 0.00 179.97 182.36 2kcx n GLY 60 N -1.60 0.58 2.79 2.80 0.00 -0.99 -5.05 105.19 103.73 2kcx n GLY 60 Ca -0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 2.83 -0.23 1.61 8.25 -0.69 -4.97 115.22 122.01 2kcx n HIS 61 Ca -0.11 -4.19 -0.06 0.00 -0.26 0.00 0.00 57.72 53.10 2kcx n HIS 61 Cb 0.52 -0.52 0.04 0.00 1.12 0.00 0.00 29.99 31.14 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 5.25 0.85 -0.05 -0.41 0.11 -1.90 -2.86 132.00 132.99 2kcx h PRO 62 Ca 0.17 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.21 2kcx h PRO 62 Cb 0.76 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.68 2kcx h PRO 62 CO 0.69 0.59 0.00 -0.25 -0.21 0.00 0.00 178.00 178.82 2kcx n ASP 63 N -4.61 0.74 -4.70 -2.05 8.00 -1.26 -4.87 116.55 107.80 2kcx n ASP 63 Ca 0.05 -1.44 -0.42 0.00 0.71 0.00 0.00 54.79 53.68 2kcx n ASP 63 Cb 0.04 -0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.08 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 -1.72 4.32 0.02 0.64 2.96 -1.08 -4.83 118.68 118.98 2kcx s LEU 64 Ca 0.34 1.80 -0.04 0.00 -0.22 0.00 0.00 54.13 56.01 2kcx s LEU 64 Cb 0.17 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 43.28 2kcx s LEU 64 CO 0.28 -0.47 0.06 -0.44 -1.32 0.00 0.00 176.35 174.46 2kcx s SER 65 N 1.22 0.17 -0.13 3.68 0.01 -1.26 -4.93 113.70 112.47 2kcx s SER 65 Ca 0.55 -0.45 -0.28 0.00 1.31 0.00 0.00 55.95 57.07 2kcx s SER 65 Cb -0.24 0.18 -0.01 0.00 0.21 0.00 0.00 66.02 66.15 2kcx s SER 65 CO 0.24 -0.41 0.95 0.54 0.41 0.00 0.00 173.24 174.98 2kcx s VAL 66 N -1.96 4.81 -0.15 3.43 0.11 -1.26 0.32 120.40 125.70 2kcx s VAL 66 Ca -0.11 1.91 -0.27 0.00 -2.93 0.00 0.00 61.98 60.59 2kcx s VAL 66 Cb -0.05 -4.26 -0.25 0.00 -1.53 0.00 0.00 36.38 30.29 2kcx s VAL 66 CO -0.02 0.01 0.64 0.24 -3.33 0.00 0.00 175.10 172.64 2kcx h MET 67 N 7.17 0.02 -3.01 1.54 2.86 -1.75 -3.48 114.93 118.28 2kcx h MET 67 Ca -0.30 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.33 2kcx h MET 67 Cb 1.14 0.01 -0.09 0.00 0.06 0.00 0.00 31.60 32.72 2kcx h MET 67 CO 0.86 1.01 0.21 1.52 1.06 0.00 0.00 176.91 181.57 2kcx s TYR 68 N -2.27 -0.38 0.16 -0.22 -0.85 -1.26 -5.10 117.35 107.44 2kcx s TYR 68 Ca -0.21 0.06 -0.30 0.00 -0.52 0.00 0.00 57.07 56.10 2kcx s TYR 68 Cb -0.01 0.62 -0.07 0.00 0.38 0.00 0.00 41.96 42.88 2kcx s TYR 68 CO 0.68 -1.01 1.06 1.03 -1.52 0.00 0.00 175.55 175.78 2kcx s ARG 69 N -3.82 4.63 0.00 -3.49 0.52 -1.26 -2.85 118.95 112.67 2kcx s ARG 69 Ca 0.05 1.64 0.00 0.00 -0.52 0.00 0.00 55.73 56.91 2kcx s ARG 69 Cb -0.03 -3.30 0.00 0.00 0.52 0.00 0.00 34.95 32.14 2kcx s ARG 69 CO -0.04 0.12 0.00 0.41 0.02 0.00 0.00 175.30 175.81 2kcx n GLY 70 N 2.09 -1.77 3.85 -3.53 0.00 0.17 -4.88 105.19 101.12 2kcx n GLY 70 Ca 0.02 -2.14 -0.33 0.00 0.00 0.00 0.00 46.02 43.58 2kcx n GLY 70 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kcx s ARG 71 N -0.29 3.99 -1.04 1.61 1.70 -1.26 -1.07 118.95 122.59 2kcx s ARG 71 Ca 0.00 0.62 -0.25 0.00 -0.47 0.00 0.00 55.73 55.63 2kcx s ARG 71 Cb 0.00 -2.52 -0.12 0.00 -0.57 0.00 0.00 34.95 31.74 2kcx s ARG 71 CO 0.00 0.21 2.05 0.00 -1.08 0.00 0.00 175.30 176.48 2kcx s ARG 73 N 7.44 4.73 0.00 0.00 1.70 -1.26 -5.11 118.95 126.45 2kcx s ARG 73 Ca 0.75 1.63 0.14 0.00 -0.47 0.00 0.00 55.73 57.79 2kcx s ARG 73 Cb -0.05 -3.20 0.11 0.00 -0.57 0.00 0.00 34.95 31.24 2kcx s ARG 73 CO 0.11 0.35 0.94 1.17 -1.08 0.00 0.00 175.30 176.79