#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 6.79 0.10 4.04 2.15 -1.26 -5.05 116.67 123.44 2kcx s ASP 2 Ca 0.00 0.94 -0.31 0.00 0.43 0.00 0.00 52.55 53.61 2kcx s ASP 2 Cb 0.00 -2.29 -0.08 0.00 -0.30 0.00 0.00 42.92 40.25 2kcx s ASP 2 CO 0.00 0.13 1.51 -0.44 -0.17 0.00 0.00 175.17 176.20 2kcx s SER 3 N -0.13 6.71 -0.17 -0.34 0.01 -1.26 -4.83 113.70 113.69 2kcx s SER 3 Ca 0.26 2.41 -0.13 0.00 1.31 0.00 0.00 55.95 59.80 2kcx s SER 3 Cb -0.16 -2.58 -0.05 0.00 0.21 0.00 0.00 66.02 63.44 2kcx s SER 3 CO 0.13 -0.77 0.25 0.00 0.41 0.00 0.00 173.24 173.26 2kcx s ASP 5 N 0.37 6.59 0.00 0.00 2.15 -1.26 -4.03 116.67 120.49 2kcx s ASP 5 Ca 0.15 0.37 0.00 0.00 0.43 0.00 0.00 52.55 53.49 2kcx s ASP 5 Cb -0.13 -2.46 0.00 0.00 -0.30 0.00 0.00 42.92 40.03 2kcx s ASP 5 CO 0.03 -0.97 0.00 0.61 -0.17 0.00 0.00 175.17 174.66 2kcx n GLY 6 N 4.66 0.36 3.64 2.66 0.00 -1.26 -4.82 105.19 110.43 2kcx n GLY 6 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.09 4.21 -0.53 1.61 1.01 -1.26 -5.08 120.40 118.28 2kcx s VAL 7 Ca 0.00 -0.27 -0.22 0.00 0.00 0.00 0.00 61.98 61.48 2kcx s VAL 7 Cb 0.00 -2.79 0.05 0.00 0.00 0.00 0.00 36.38 33.64 2kcx s VAL 7 CO 0.00 0.57 0.81 -1.61 0.00 0.00 0.00 175.10 174.87 2kcx s GLU 8 N -0.56 3.26 0.31 2.72 8.01 -1.26 -4.75 118.70 126.43 2kcx s GLU 8 Ca 0.09 -0.48 0.02 0.00 0.01 0.00 0.00 54.97 54.61 2kcx s GLU 8 Cb -0.12 -4.06 -0.02 0.00 -4.31 0.00 0.00 34.13 25.62 2kcx s GLU 8 CO 0.02 -1.35 0.33 0.00 0.01 0.00 0.00 175.26 174.26 2kcx n GLY 10 N -0.54 1.63 3.56 0.00 0.00 0.64 -4.98 105.19 105.50 2kcx n GLY 10 Ca 0.04 -0.54 -0.23 0.00 0.00 0.00 0.00 46.02 45.30 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 1.90 0.00 1.61 0.04 -1.26 -2.15 135.00 135.13 2kcx s PRO 11 Ca 0.00 0.70 0.00 0.00 0.04 0.00 0.00 61.00 61.74 2kcx s PRO 11 Cb 0.00 -4.73 0.00 0.00 0.04 0.00 0.00 34.50 29.81 2kcx s PRO 11 CO 0.00 -3.90 0.00 0.41 0.04 0.00 0.00 177.00 173.55 2kcx n GLY 12 N 6.51 0.57 3.11 0.56 0.00 -1.26 -5.03 105.19 109.65 2kcx n GLY 12 Ca 0.42 -0.08 -0.13 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.29 0.27 -0.02 1.61 1.02 -0.91 -0.17 119.74 121.25 2kcx s LYS 13 Ca 0.00 0.42 0.08 0.00 0.02 0.00 0.00 55.97 56.49 2kcx s LYS 13 Cb 0.00 0.05 -0.02 0.00 -0.52 0.00 0.00 37.83 37.34 2kcx s LYS 13 CO 0.00 -0.08 -0.25 0.00 -0.92 0.00 0.00 175.35 174.10 2kcx s ALA 14 N 0.56 2.05 -0.46 5.17 0.00 -1.25 -0.26 121.76 127.56 2kcx s ALA 14 Ca -0.03 -1.07 -0.15 0.00 0.00 0.00 0.00 51.96 50.71 2kcx s ALA 14 Cb -0.05 -0.52 0.06 0.00 0.00 0.00 0.00 23.12 22.62 2kcx s ALA 14 CO -0.03 0.50 0.37 0.00 0.00 0.00 0.00 175.76 176.60 2kcx s ARG 16 N 1.65 3.67 -0.56 0.00 3.52 0.21 -4.80 118.95 122.63 2kcx s ARG 16 Ca 0.04 -0.48 -0.28 0.00 -0.13 0.00 0.00 55.73 54.88 2kcx s ARG 16 Cb -0.23 -3.24 0.03 0.00 -1.56 0.00 0.00 34.95 29.95 2kcx s ARG 16 CO 0.07 -0.09 1.16 -1.64 -0.81 0.00 0.00 175.30 173.99 2kcx s MET 17 N 1.34 3.53 -0.26 5.12 -1.94 -1.26 -0.72 119.30 125.10 2kcx s MET 17 Ca 0.05 0.26 -0.00 0.00 -1.71 0.00 0.00 55.69 54.28 2kcx s MET 17 Cb -0.15 -4.00 0.04 0.00 2.01 0.00 0.00 34.83 32.73 2kcx s MET 17 CO 0.03 -1.62 -0.07 -0.51 -0.01 0.00 0.00 175.02 172.83 2kcx s LEU 18 N 4.80 3.34 -0.46 -0.03 1.43 -0.00 -4.62 118.68 123.13 2kcx s LEU 18 Ca 0.43 -1.09 0.00 0.00 -1.03 0.00 0.00 54.13 52.43 2kcx s LEU 18 Cb -0.08 -1.63 0.00 0.00 0.03 0.00 0.00 46.19 44.51 2kcx s LEU 18 CO 0.26 -0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.28 2kcx n GLY 19 N 4.59 0.58 0.00 -3.19 0.00 -1.26 -3.31 105.19 102.60 2kcx n GLY 19 Ca -0.15 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.02 3.37 3.60 -0.02 0.00 -1.26 -5.06 105.19 103.80 2kcx n GLY 20 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 2kcx n GLY 20 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kcx s ARG 21 N -0.84 3.70 -0.35 1.61 1.70 -1.21 -5.05 118.95 118.50 2kcx s ARG 21 Ca 0.00 -0.41 -0.29 0.00 -0.47 0.00 0.00 55.73 54.56 2kcx s ARG 21 Cb 0.00 -3.04 -0.00 0.00 -0.57 0.00 0.00 34.95 31.34 2kcx s ARG 21 CO 0.00 0.34 1.48 -1.25 -1.08 0.00 0.00 175.30 174.79 2kcx s PRO 22 N 0.13 3.63 0.07 3.89 0.04 -1.26 -0.82 135.00 140.68 2kcx s PRO 22 Ca 0.02 1.16 -0.07 0.00 0.04 0.00 0.00 61.00 62.16 2kcx s PRO 22 Cb -0.13 -4.03 -0.05 0.00 0.04 0.00 0.00 34.50 30.33 2kcx s PRO 22 CO 0.02 -1.49 0.33 1.03 0.04 0.00 0.00 177.00 176.93 2kcx s ARG 23 N 4.87 3.64 -0.04 4.56 0.52 0.10 -4.83 118.95 127.77 2kcx s ARG 23 Ca 0.65 -0.02 0.02 0.00 -0.52 0.00 0.00 55.73 55.86 2kcx s ARG 23 Cb -0.17 -2.99 0.01 0.00 0.52 0.00 0.00 34.95 32.32 2kcx s ARG 23 CO 0.31 0.57 -0.08 0.00 0.02 0.00 0.00 175.30 176.12 2kcx s GLU 25 N 0.49 0.78 -0.74 0.00 1.03 -1.26 -4.99 118.70 114.01 2kcx s GLU 25 Ca -0.08 -1.32 -0.24 0.00 0.03 0.00 0.00 54.97 53.36 2kcx s GLU 25 Cb -0.11 0.04 -0.15 0.00 -0.80 0.00 0.00 34.13 33.10 2kcx s GLU 25 CO 0.01 -0.11 2.43 0.00 -1.33 0.00 0.00 175.26 176.26 2kcx s ALA 27 N 10.93 2.22 -0.86 0.00 0.00 0.76 -4.96 121.76 129.85 2kcx s ALA 27 Ca 1.07 -1.05 -0.25 0.00 0.00 0.00 0.00 51.96 51.73 2kcx s ALA 27 Cb -0.42 -0.69 -0.06 0.00 0.00 0.00 0.00 23.12 21.95 2kcx s ALA 27 CO 0.28 0.45 2.00 -2.14 0.00 0.00 0.00 175.76 176.35 2kcx s PRO 28 N -0.30 2.43 0.00 0.00 0.02 -1.26 -3.39 135.00 132.51 2kcx s PRO 28 Ca 0.01 -0.11 0.00 0.00 0.02 0.00 0.00 61.00 60.92 2kcx s PRO 28 Cb -0.13 -4.97 0.00 0.00 0.02 0.00 0.00 34.50 29.42 2kcx s PRO 28 CO 0.02 -3.47 0.60 -3.47 -0.33 0.00 0.00 177.00 170.35 2kcx n ASP 29 N 14.50 0.00 -3.16 2.53 2.03 -1.26 -5.01 116.55 126.18 2kcx n ASP 29 Ca 0.40 0.78 -0.08 0.00 0.52 0.00 0.00 54.79 56.40 2kcx n ASP 29 Cb 0.47 -0.47 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2kcx n ASP 29 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kcx h SER 31 N 0.77 0.00 0.00 0.00 0.02 -1.99 -3.41 113.55 108.94 2kcx h SER 31 Ca -0.14 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 2kcx h SER 31 Cb 1.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.63 2kcx h SER 31 CO 0.29 0.97 -0.09 1.23 -1.14 0.00 0.00 176.83 178.09 2kcx h GLY 32 N 3.28 0.00 -3.50 -3.77 0.00 -2.05 -3.47 103.07 93.56 2kcx h GLY 32 Ca -0.15 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.68 2kcx h GLY 32 CO 0.10 0.00 0.46 0.48 0.00 0.00 0.00 176.54 177.58 2kcx s LEU 33 N -6.09 4.42 -0.09 3.11 2.34 -1.26 -5.00 118.68 116.12 2kcx s LEU 33 Ca -0.03 2.23 -0.30 0.00 0.06 0.00 0.00 54.13 56.09 2kcx s LEU 33 Cb 0.00 -3.79 -0.04 0.00 -0.56 0.00 0.00 46.19 41.80 2kcx s LEU 33 CO 0.04 -0.28 1.47 -2.84 -1.06 0.00 0.00 176.35 173.69 2kcx s PRO 34 N -1.77 4.21 -1.23 1.48 0.02 -1.26 -4.89 135.00 131.56 2kcx s PRO 34 Ca 0.49 1.97 -0.08 0.00 0.02 0.00 0.00 61.00 63.39 2kcx s PRO 34 Cb -0.30 -3.84 -0.07 0.00 0.02 0.00 0.00 34.50 30.31 2kcx s PRO 34 CO 0.38 -0.75 2.48 0.00 -0.33 0.00 0.00 177.00 178.77 2kcx n ALA 35 N 6.67 5.94 0.00 -1.55 0.00 -1.26 -3.13 120.51 127.18 2kcx n ALA 35 Ca 0.15 -2.70 0.00 0.00 0.00 0.00 0.00 53.44 50.89 2kcx n ALA 35 Cb 0.44 -3.18 0.00 0.00 0.00 0.00 0.00 19.45 16.70 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 4.02 0.00 -1.98 0.00 5.12 -1.26 -4.89 116.66 117.67 2kcx n ARG 36 Ca 0.60 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 56.10 2kcx n ARG 36 Cb 0.18 -0.22 -0.03 0.00 -1.16 0.00 0.00 32.46 31.24 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 -2.11 3.47 0.63 0.55 2.96 -1.18 -4.58 118.68 118.40 2kcx s LEU 37 Ca 0.00 1.17 -0.18 0.00 -0.22 0.00 0.00 54.13 54.89 2kcx s LEU 37 Cb 0.00 -3.32 -0.02 0.00 0.50 0.00 0.00 46.19 43.35 2kcx s LEU 37 CO 0.00 -1.86 1.27 -1.10 -1.32 0.00 0.00 176.35 173.35 2kcx s GLN 38 N 5.98 2.70 0.03 1.98 -0.21 -1.18 -2.67 119.66 126.29 2kcx s GLN 38 Ca 0.79 2.01 -0.00 0.00 0.02 0.00 0.00 55.36 58.18 2kcx s GLN 38 Cb -0.21 -1.89 -0.03 0.00 1.00 0.00 0.00 33.01 31.88 2kcx s GLN 38 CO 0.31 -1.47 -0.03 0.14 -2.12 0.00 0.00 175.29 172.12 2kcx s VAL 39 N -1.44 0.17 -0.23 1.09 -7.23 -1.01 -0.40 120.40 111.35 2kcx s VAL 39 Ca 0.81 -1.24 -0.07 0.00 -1.81 0.00 0.00 61.98 59.67 2kcx s VAL 39 Cb -0.36 -0.73 -0.03 0.00 0.56 0.00 0.00 36.38 35.82 2kcx s VAL 39 CO 0.38 -0.67 0.05 0.00 -0.31 0.00 0.00 175.10 174.55 2kcx s GLY 41 N 1.31 1.62 0.37 0.00 0.00 -0.56 -3.20 107.32 106.86 2kcx s GLY 41 Ca 0.05 -0.62 0.11 0.00 0.00 0.00 0.00 44.72 44.25 2kcx s GLY 41 CO 0.03 -0.31 1.86 1.48 0.00 0.00 0.00 173.10 176.16 2kcx h SER 42 N -0.33 0.61 -0.23 1.64 4.64 -1.19 0.33 113.55 119.01 2kcx h SER 42 Ca -0.45 0.04 0.07 0.00 -0.47 0.00 0.00 61.79 60.98 2kcx h SER 42 Cb 1.26 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 2kcx h SER 42 CO 0.61 0.29 0.20 -0.78 -0.87 0.00 0.00 176.83 176.28 2kcx h ASP 43 N 0.63 0.00 0.00 4.97 3.58 -1.85 -3.46 116.42 120.29 2kcx h ASP 43 Ca 0.46 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.91 2kcx h ASP 43 Cb 0.81 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.86 2kcx h ASP 43 CO -0.21 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.76 2kcx n GLY 44 N -1.50 0.66 3.82 -0.78 0.00 0.10 -5.10 105.19 102.39 2kcx n GLY 44 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 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 3.53 -0.26 4.61 0.00 -1.26 -4.86 121.76 121.53 2kcx s ALA 45 Ca 0.00 0.04 -0.18 0.00 0.00 0.00 0.00 51.96 51.82 2kcx s ALA 45 Cb 0.00 -2.67 -0.03 0.00 0.00 0.00 0.00 23.12 20.42 2kcx s ALA 45 CO 0.00 0.39 0.53 0.99 0.00 0.00 0.00 175.76 177.67 2kcx s THR 46 N -1.33 5.06 0.09 0.00 2.01 -1.26 -1.50 115.64 118.70 2kcx s THR 46 Ca 0.36 0.91 -0.04 0.00 0.31 0.00 0.00 61.69 63.23 2kcx s THR 46 Cb -0.18 -3.84 -0.05 0.00 0.01 0.00 0.00 72.50 68.44 2kcx s THR 46 CO 0.20 0.09 0.31 -0.31 -0.69 0.00 0.00 174.62 174.22 2kcx s TYR 47 N 2.28 3.51 0.44 4.92 2.02 0.37 -4.96 117.35 125.92 2kcx s TYR 47 Ca 0.22 0.49 0.22 0.00 -0.37 0.00 0.00 57.07 57.63 2kcx s TYR 47 Cb -0.16 -1.94 1.21 0.00 -0.40 0.00 0.00 41.96 40.67 2kcx s TYR 47 CO 0.09 0.52 1.80 0.07 -1.57 0.00 0.00 175.55 176.46 2kcx h ARG 48 N 3.19 0.29 -2.95 -0.62 0.11 -1.93 -2.68 114.38 109.79 2kcx h ARG 48 Ca -0.47 -0.02 0.02 0.00 0.10 0.00 0.00 59.98 59.61 2kcx h ARG 48 Cb 1.17 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 32.17 2kcx h ARG 48 CO 0.72 0.19 0.29 0.16 0.10 0.00 0.00 179.97 181.43 2kcx s ASP 49 N -5.34 -0.06 0.33 0.08 1.47 -1.26 -3.08 116.67 108.82 2kcx s ASP 49 Ca -0.08 -0.98 0.06 0.00 1.18 0.00 0.00 52.55 52.73 2kcx s ASP 49 Cb 0.24 0.79 0.59 0.00 -0.34 0.00 0.00 42.92 44.20 2kcx s ASP 49 CO 0.79 -1.55 1.83 -0.08 0.68 0.00 0.00 175.17 176.84 2kcx h GLU 50 N 2.00 0.40 -0.37 2.11 4.81 -1.80 -2.88 114.58 118.85 2kcx h GLU 50 Ca -0.29 -0.11 -0.09 0.00 -0.13 0.00 0.00 59.36 58.74 2kcx h GLU 50 Cb 1.25 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 2kcx h GLU 50 CO 0.36 0.55 -0.13 0.00 -0.73 0.00 0.00 179.01 179.06 2kcx h GLU 52 N 0.61 0.17 0.54 0.00 4.57 -1.92 0.31 114.58 118.86 2kcx h GLU 52 Ca 0.10 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.25 2kcx h GLU 52 Cb 0.57 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.13 2kcx h GLU 52 CO 0.04 0.14 -0.28 1.25 -1.18 0.00 0.00 179.01 178.98 2kcx h LEU 53 N 0.14 -0.67 -1.54 1.64 6.46 -1.39 0.16 115.31 120.12 2kcx h LEU 53 Ca 0.05 0.03 0.03 0.00 -0.12 0.00 0.00 57.88 57.87 2kcx h LEU 53 Cb 0.02 0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.10 2kcx h LEU 53 CO -0.01 -0.46 0.35 -0.09 -0.62 0.00 0.00 178.44 177.62 2kcx h ARG 54 N -0.75 0.58 -0.02 1.25 2.43 -1.00 0.06 114.38 116.94 2kcx h ARG 54 Ca -0.07 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.04 2kcx h ARG 54 Cb 0.58 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 2kcx h ARG 54 CO 0.11 0.39 -0.08 0.00 -1.51 0.00 0.00 179.97 178.87 2kcx h ALA 55 N 1.69 0.03 -0.86 2.80 0.00 -0.19 -2.23 119.26 120.50 2kcx h ALA 55 Ca 0.22 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.80 2kcx h ALA 55 Cb 0.11 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 2kcx h ALA 55 CO -0.06 -0.08 0.55 0.00 0.00 0.00 0.00 179.25 179.67 2kcx h ALA 56 N 0.36 1.14 -0.02 0.00 0.00 -0.36 0.43 119.26 120.82 2kcx h ALA 56 Ca -0.01 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2kcx h ALA 56 Cb 0.74 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2kcx h ALA 56 CO 0.02 0.39 -0.01 -0.09 0.00 0.00 0.00 179.25 179.55 2kcx h ARG 57 N 1.07 -0.02 -0.00 0.00 1.12 -1.07 -2.35 114.38 113.14 2kcx h ARG 57 Ca 0.35 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 59.21 2kcx h ARG 57 Cb 0.02 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 29.98 2kcx h ARG 57 CO -0.12 -0.01 -0.03 0.00 -3.11 0.00 0.00 179.97 176.69 2kcx n ARG 59 N -4.49 3.59 -2.94 0.00 3.00 0.14 -4.66 116.66 111.30 2kcx n ARG 59 Ca -0.03 -3.79 -0.21 0.00 -0.00 0.00 0.00 57.85 53.83 2kcx n ARG 59 Cb 0.12 -2.92 0.03 0.00 0.00 0.00 0.00 32.46 29.70 2kcx n ARG 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2kcx n GLY 60 N 3.18 -0.43 2.58 5.14 0.00 -1.24 -4.87 105.19 109.55 2kcx n GLY 60 Ca 0.37 0.05 -0.29 0.00 0.00 0.00 0.00 46.02 46.15 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 -3.13 1.35 -0.43 1.61 3.76 -0.81 -4.98 115.29 112.67 2kcx s HIS 61 Ca 0.27 -2.05 0.26 0.00 -0.15 0.00 0.00 55.06 53.38 2kcx s HIS 61 Cb -0.12 -1.37 0.69 0.00 1.11 0.00 0.00 32.58 32.88 2kcx s HIS 61 CO 0.33 -0.80 1.72 -1.35 -0.85 0.00 0.00 174.74 173.79 2kcx h PRO 62 N 6.76 0.00 0.00 8.40 0.11 -1.92 -3.24 132.00 142.11 2kcx h PRO 62 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 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 0.38 0.00 -0.08 -0.44 -0.21 0.00 0.00 178.00 177.65 2kcx h ASP 63 N 0.00 0.00 -3.40 -2.05 5.19 -1.93 -3.45 116.42 110.77 2kcx h ASP 63 Ca 0.00 -0.00 -0.55 0.00 -0.62 0.00 0.00 57.03 55.86 2kcx h ASP 63 Cb 0.80 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.27 2kcx h ASP 63 CO 0.00 0.00 0.24 -0.22 -3.12 0.00 0.00 179.24 176.14 2kcx s LEU 64 N -6.02 4.36 0.10 1.55 2.96 -1.22 -4.70 118.68 115.72 2kcx s LEU 64 Ca 0.07 1.47 -0.08 0.00 -0.22 0.00 0.00 54.13 55.36 2kcx s LEU 64 Cb 0.06 -3.35 -0.01 0.00 0.50 0.00 0.00 46.19 43.39 2kcx s LEU 64 CO 0.67 -0.17 0.20 -0.44 -1.32 0.00 0.00 176.35 175.30 2kcx s SER 65 N 0.78 0.12 -0.43 3.68 0.01 -1.26 -4.87 113.70 111.72 2kcx s SER 65 Ca 0.45 -0.72 -0.29 0.00 1.31 0.00 0.00 55.95 56.70 2kcx s SER 65 Cb -0.20 0.36 0.03 0.00 0.21 0.00 0.00 66.02 66.41 2kcx s SER 65 CO 0.24 -0.76 1.10 -0.69 0.41 0.00 0.00 173.24 173.54 2kcx s VAL 66 N -3.89 4.32 -0.14 3.43 1.01 -1.26 -0.63 120.40 123.24 2kcx s VAL 66 Ca 0.08 1.34 -0.13 0.00 0.00 0.00 0.00 61.98 63.27 2kcx s VAL 66 Cb 0.05 -4.53 -0.10 0.00 0.00 0.00 0.00 36.38 31.79 2kcx s VAL 66 CO -0.08 -0.83 0.17 0.24 0.00 0.00 0.00 175.10 174.60 2kcx h MET 67 N 8.87 0.00 -2.34 2.72 2.86 -1.85 -3.48 114.93 121.71 2kcx h MET 67 Ca -0.22 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.37 2kcx h MET 67 Cb 1.06 0.00 -0.17 0.00 0.06 0.00 0.00 31.60 32.55 2kcx h MET 67 CO 1.09 0.41 0.17 1.52 1.06 0.00 0.00 176.91 181.16 2kcx s TYR 68 N -2.02 -0.60 0.44 -0.22 1.13 -1.24 -5.09 117.35 109.75 2kcx s TYR 68 Ca -0.13 0.86 -0.20 0.00 -1.41 0.00 0.00 57.07 56.18 2kcx s TYR 68 Cb 0.01 0.44 -0.10 0.00 -1.10 0.00 0.00 41.96 41.20 2kcx s TYR 68 CO 0.32 -0.67 0.96 1.03 -2.51 0.00 0.00 175.55 174.68 2kcx s ARG 69 N -1.95 4.16 0.00 -3.49 0.52 -1.26 -2.24 118.95 114.69 2kcx s ARG 69 Ca -0.08 1.12 0.00 0.00 -0.52 0.00 0.00 55.73 56.26 2kcx s ARG 69 Cb -0.00 -2.17 0.00 0.00 0.52 0.00 0.00 34.95 33.30 2kcx s ARG 69 CO 0.03 -0.09 0.00 0.41 0.02 0.00 0.00 175.30 175.67 2kcx n GLY 70 N -0.71 -3.95 3.81 -3.53 0.00 0.46 -4.82 105.19 96.46 2kcx n GLY 70 Ca 0.07 -2.11 -0.31 0.00 0.00 0.00 0.00 46.02 43.68 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 -0.83 2.60 -0.76 1.61 0.52 -1.26 -1.87 118.95 118.96 2kcx s ARG 71 Ca 0.00 0.83 -0.26 0.00 -0.52 0.00 0.00 55.73 55.78 2kcx s ARG 71 Cb 0.00 -1.96 -0.06 0.00 0.52 0.00 0.00 34.95 33.44 2kcx s ARG 71 CO 0.00 -1.30 2.09 0.00 0.02 0.00 0.00 175.30 176.11 2kcx s ARG 73 N 7.60 1.83 0.00 0.00 1.70 -1.26 -5.10 118.95 123.72 2kcx s ARG 73 Ca 0.78 -1.11 0.00 0.00 -0.47 0.00 0.00 55.73 54.93 2kcx s ARG 73 Cb -0.11 -2.04 0.00 0.00 -0.57 0.00 0.00 34.95 32.24 2kcx s ARG 73 CO 0.10 0.51 0.00 0.36 -1.08 0.00 0.00 175.30 175.19