#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k14 n ASP 2 N 0.00 5.96 -4.81 3.17 2.03 -1.26 -5.00 116.55 116.65 3k14 n ASP 2 Ca 0.00 -3.31 -0.34 0.00 0.52 0.00 0.00 54.79 51.66 3k14 n ASP 2 Cb 0.00 -1.34 -0.06 0.00 -0.72 0.00 0.00 41.12 38.99 3k14 n ASP 2 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3k14 s PHE 3 N -1.68 3.33 0.01 -0.67 0.08 -1.26 -1.02 117.98 116.78 3k14 s PHE 3 Ca 0.34 1.64 0.00 0.00 0.12 0.00 0.00 56.93 59.03 3k14 s PHE 3 Cb 0.07 -2.92 -0.01 0.00 -0.57 0.00 0.00 43.02 39.59 3k14 s PHE 3 CO 0.07 -0.20 -0.03 1.03 -0.10 0.00 0.00 175.22 175.99 3k14 s ARG 4 N -2.94 0.25 0.11 0.44 1.81 -0.33 -4.96 118.95 113.33 3k14 s ARG 4 Ca 0.60 -0.39 0.05 0.00 -1.72 0.00 0.00 55.73 54.28 3k14 s ARG 4 Cb -0.13 -0.03 -0.04 0.00 -0.45 0.00 0.00 34.95 34.30 3k14 s ARG 4 CO 0.17 -0.00 -0.01 0.96 -0.68 0.00 0.00 175.30 175.74 3k14 s ILE 5 N -0.84 3.91 0.07 1.52 -4.36 -1.26 -1.20 121.20 119.05 3k14 s ILE 5 Ca -0.08 -1.09 0.02 0.00 -0.26 0.00 0.00 60.65 59.24 3k14 s ILE 5 Cb -0.06 -2.88 -0.03 0.00 1.25 0.00 0.00 42.46 40.74 3k14 s ILE 5 CO -0.00 0.07 -0.07 -0.83 0.24 0.00 0.00 174.94 174.35 3k14 s GLY 6 N -2.43 0.64 0.05 6.27 0.00 0.16 -3.98 107.32 108.02 3k14 s GLY 6 Ca 0.26 -1.05 0.03 0.00 0.00 0.00 0.00 44.72 43.96 3k14 s GLY 6 CO 0.18 -1.12 -0.09 -0.86 0.00 0.00 0.00 173.10 171.21 3k14 s GLN 7 N -2.65 0.57 0.02 2.90 1.03 -1.26 -1.09 119.66 119.18 3k14 s GLN 7 Ca 0.00 -0.78 -0.00 0.00 0.04 0.00 0.00 55.36 54.63 3k14 s GLN 7 Cb -0.03 -0.37 -0.02 0.00 0.03 0.00 0.00 33.01 32.62 3k14 s GLN 7 CO -0.02 0.07 -0.03 0.20 -2.54 0.00 0.00 175.29 172.97 3k14 s GLY 8 N -1.58 0.25 -0.00 2.60 0.00 0.13 -3.81 107.32 104.92 3k14 s GLY 8 Ca -0.09 -0.62 0.00 0.00 0.00 0.00 0.00 44.72 44.02 3k14 s GLY 8 CO 0.01 -0.69 -0.00 -0.47 0.00 0.00 0.00 173.10 171.94 3k14 s TYR 9 N -1.57 0.03 0.04 1.90 6.14 -1.26 -1.20 117.35 121.43 3k14 s TYR 9 Ca -0.15 0.00 -0.15 0.00 0.64 0.00 0.00 57.07 57.41 3k14 s TYR 9 Cb -0.09 -0.03 0.03 0.00 0.42 0.00 0.00 41.96 42.29 3k14 s TYR 9 CO -0.01 -0.00 0.35 0.34 0.64 0.00 0.00 175.55 176.86 3k14 s ASP 10 N 0.04 -0.19 -0.05 4.32 2.15 -0.40 -4.66 116.67 117.88 3k14 s ASP 10 Ca -0.00 -0.11 -0.13 0.00 0.43 0.00 0.00 52.55 52.73 3k14 s ASP 10 Cb -0.01 0.38 0.03 0.00 -0.30 0.00 0.00 42.92 43.02 3k14 s ASP 10 CO -0.00 -0.63 0.31 0.54 -0.17 0.00 0.00 175.17 175.21 3k14 s VAL 11 N -2.51 0.04 0.03 1.11 0.11 -1.26 -0.68 120.40 117.23 3k14 s VAL 11 Ca -0.05 -0.31 0.01 0.00 -2.93 0.00 0.00 61.98 58.70 3k14 s VAL 11 Cb -0.01 -0.55 -0.02 0.00 -1.53 0.00 0.00 36.38 34.27 3k14 s VAL 11 CO -0.03 -0.17 -0.05 -1.00 -3.33 0.00 0.00 175.10 170.53 3k14 s HIS 12 N -0.77 0.39 0.43 1.54 3.76 -0.93 -5.01 115.29 114.71 3k14 s HIS 12 Ca -0.09 -0.47 -0.24 0.00 -0.15 0.00 0.00 55.06 54.11 3k14 s HIS 12 Cb -0.04 -0.25 -0.08 0.00 1.11 0.00 0.00 32.58 33.31 3k14 s HIS 12 CO 0.03 -0.14 1.19 -0.65 -0.85 0.00 0.00 174.74 174.32 3k14 s GLN 13 N -1.37 3.90 -0.28 1.40 -0.21 -1.26 -1.57 119.66 120.27 3k14 s GLN 13 Ca -0.12 1.87 -0.00 0.00 0.02 0.00 0.00 55.36 57.12 3k14 s GLN 13 Cb -0.09 -2.57 0.05 0.00 1.00 0.00 0.00 33.01 31.40 3k14 s GLN 13 CO -0.00 -0.46 -0.04 -1.17 -2.12 0.00 0.00 175.29 171.50 3k14 s LEU 14 N -2.72 3.71 0.07 2.90 2.96 0.08 -1.49 118.68 124.19 3k14 s LEU 14 Ca 0.60 -1.29 0.00 0.00 -0.22 0.00 0.00 54.13 53.23 3k14 s LEU 14 Cb -0.31 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 3k14 s LEU 14 CO 0.39 -0.23 -0.05 0.68 -1.32 0.00 0.00 176.35 175.82 3k14 s VAL 15 N 1.21 0.43 0.56 1.68 -7.23 -0.76 -4.55 120.40 111.74 3k14 s VAL 15 Ca -0.06 -1.80 -0.21 0.00 -1.81 0.00 0.00 61.98 58.10 3k14 s VAL 15 Cb -0.20 -1.50 -0.04 0.00 0.56 0.00 0.00 36.38 35.20 3k14 s VAL 15 CO -0.02 -0.90 1.31 -2.84 -0.31 0.00 0.00 175.10 172.33 3k14 s PRO 16 N -3.70 3.07 0.00 4.82 0.02 -1.26 -0.90 135.00 137.05 3k14 s PRO 16 Ca 0.07 2.11 0.00 0.00 0.02 0.00 0.00 61.00 63.20 3k14 s PRO 16 Cb 0.05 -2.15 0.00 0.00 0.02 0.00 0.00 34.50 32.42 3k14 s PRO 16 CO -0.07 -1.21 0.00 0.41 -0.33 0.00 0.00 177.00 175.80 3k14 n GLY 17 N 0.71 1.21 3.20 0.52 0.00 -1.26 -4.85 105.19 104.72 3k14 n GLY 17 Ca 0.12 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.96 3k14 n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k14 s ARG 18 N -0.18 0.92 0.67 1.61 1.81 -1.26 -5.01 118.95 117.50 3k14 s ARG 18 Ca 0.00 -1.12 -0.13 0.00 -1.72 0.00 0.00 55.73 52.77 3k14 s ARG 18 Cb 0.00 -0.82 -0.00 0.00 -0.45 0.00 0.00 34.95 33.68 3k14 s ARG 18 CO 0.00 0.16 1.06 -1.25 -0.68 0.00 0.00 175.30 174.60 3k14 s PRO 19 N -2.33 3.00 -0.43 3.54 0.04 -1.26 -2.29 135.00 135.27 3k14 s PRO 19 Ca 0.04 1.07 -0.13 0.00 0.04 0.00 0.00 61.00 62.02 3k14 s PRO 19 Cb -0.07 -1.99 0.05 0.00 0.04 0.00 0.00 34.50 32.53 3k14 s PRO 19 CO 0.02 -1.05 0.31 -1.17 0.04 0.00 0.00 177.00 175.15 3k14 s LEU 20 N -5.21 5.22 -0.21 -3.56 2.96 -1.26 -3.14 118.68 113.49 3k14 s LEU 20 Ca 0.60 -1.18 0.02 0.00 -0.22 0.00 0.00 54.13 53.35 3k14 s LEU 20 Cb -0.15 -2.11 0.04 0.00 0.50 0.00 0.00 46.19 44.46 3k14 s LEU 20 CO 0.49 -0.52 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.20 3k14 s ILE 21 N 1.60 2.06 -0.06 6.68 1.01 -1.26 -0.35 121.20 130.88 3k14 s ILE 21 Ca 0.04 -1.18 0.01 0.00 0.00 0.00 0.00 60.65 59.51 3k14 s ILE 21 Cb -0.22 -1.99 0.02 0.00 0.01 0.00 0.00 42.46 40.29 3k14 s ILE 21 CO 0.07 0.32 -0.05 -0.63 0.00 0.00 0.00 174.94 174.65 3k14 s ILE 22 N 1.24 0.61 -1.49 2.92 1.01 -0.60 -4.23 121.20 120.66 3k14 s ILE 22 Ca -0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 60.65 60.48 3k14 s ILE 22 Cb -0.16 -0.65 0.00 0.00 0.01 0.00 0.00 42.46 41.67 3k14 s ILE 22 CO -0.10 0.26 0.45 0.61 0.00 0.00 0.00 174.94 176.16 3k14 n GLY 23 N 4.31 -0.43 2.83 6.18 0.00 -1.26 -1.85 105.19 114.97 3k14 n GLY 23 Ca -0.20 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3k14 n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k14 n GLY 24 N -1.38 0.53 3.52 -0.02 0.00 -1.26 -4.40 105.19 102.17 3k14 n GLY 24 Ca -0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 3k14 n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k14 s VAL 25 N -2.42 4.29 -0.22 1.61 1.01 -0.77 -5.06 120.40 118.83 3k14 s VAL 25 Ca 0.00 -0.20 -0.27 0.00 0.00 0.00 0.00 61.98 61.51 3k14 s VAL 25 Cb 0.00 -2.94 -0.00 0.00 0.00 0.00 0.00 36.38 33.44 3k14 s VAL 25 CO 0.00 0.43 0.93 -0.89 0.00 0.00 0.00 175.10 175.57 3k14 s THR 26 N 0.78 4.77 -0.17 3.92 2.01 -1.26 -1.55 115.64 124.14 3k14 s THR 26 Ca 0.02 1.80 -0.02 0.00 0.31 0.00 0.00 61.69 63.80 3k14 s THR 26 Cb -0.14 -4.21 -0.01 0.00 0.01 0.00 0.00 72.50 68.15 3k14 s THR 26 CO 0.02 -0.10 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.12 3k14 s ILE 27 N 2.87 3.12 0.12 1.82 1.01 0.53 -5.01 121.20 125.65 3k14 s ILE 27 Ca 0.40 -0.61 -0.31 0.00 0.00 0.00 0.00 60.65 60.13 3k14 s ILE 27 Cb -0.15 -2.36 -0.08 0.00 0.01 0.00 0.00 42.46 39.87 3k14 s ILE 27 CO 0.08 0.49 1.47 -2.16 0.00 0.00 0.00 174.94 174.81 3k14 s PRO 28 N 0.87 4.28 -0.01 2.79 0.04 -1.26 -4.17 135.00 137.53 3k14 s PRO 28 Ca -0.03 2.17 -0.28 0.00 0.04 0.00 0.00 61.00 62.90 3k14 s PRO 28 Cb -0.15 -3.28 0.10 0.00 0.04 0.00 0.00 34.50 31.21 3k14 s PRO 28 CO 0.00 -0.52 0.82 -0.47 0.04 0.00 0.00 177.00 176.87 3k14 s TYR 29 N 1.35 -0.43 -1.01 0.56 5.04 -1.26 -4.97 117.35 116.63 3k14 s TYR 29 Ca 0.67 0.45 0.18 0.00 -2.44 0.00 0.00 57.07 55.93 3k14 s TYR 29 Cb -0.39 0.51 0.77 0.00 0.35 0.00 0.00 41.96 43.20 3k14 s TYR 29 CO 0.30 -0.58 1.58 -0.85 -1.34 0.00 0.00 175.55 174.66 3k14 n GLU 30 N 0.08 0.00 -4.26 4.97 0.28 -1.26 -4.80 120.64 115.66 3k14 n GLU 30 Ca -0.12 0.19 -0.14 0.00 -0.16 0.00 0.00 57.16 56.92 3k14 n GLU 30 Cb 0.61 -1.50 -0.10 0.00 1.43 0.00 0.00 31.44 31.88 3k14 n GLU 30 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 3k14 s ARG 31 N -2.99 1.11 0.22 3.44 0.52 -1.26 -4.29 118.95 115.70 3k14 s ARG 31 Ca 0.09 -1.50 -0.08 0.00 -0.52 0.00 0.00 55.73 53.72 3k14 s ARG 31 Cb 0.12 -0.54 -0.02 0.00 0.52 0.00 0.00 34.95 35.03 3k14 s ARG 31 CO 0.33 0.00 0.33 0.20 0.02 0.00 0.00 175.30 176.18 3k14 s GLY 32 N -3.19 0.90 -0.04 -3.53 0.00 -0.08 -4.16 107.32 97.22 3k14 s GLY 32 Ca 0.20 -1.21 -0.17 0.00 0.00 0.00 0.00 44.72 43.54 3k14 s GLY 32 CO 0.02 -0.95 0.47 1.08 0.00 0.00 0.00 173.10 173.72 3k14 s LEU 33 N -3.07 4.40 -1.15 0.66 1.43 -1.19 -1.83 118.68 117.93 3k14 s LEU 33 Ca 0.29 0.96 -0.13 0.00 -1.03 0.00 0.00 54.13 54.22 3k14 s LEU 33 Cb 0.03 -2.69 0.20 0.00 0.03 0.00 0.00 46.19 43.76 3k14 s LEU 33 CO 0.10 0.18 1.30 -0.76 0.23 0.00 0.00 176.35 177.39 3k14 s LEU 34 N -0.36 5.50 0.00 1.79 1.43 -0.56 -4.72 118.68 121.77 3k14 s LEU 34 Ca 0.26 -3.13 0.00 0.00 -1.03 0.00 0.00 54.13 50.23 3k14 s LEU 34 Cb -0.17 -2.34 0.00 0.00 0.03 0.00 0.00 46.19 43.72 3k14 s LEU 34 CO 0.13 -0.61 0.16 -0.90 0.23 0.00 0.00 176.35 175.36 3k14 n ASP 38 N 4.72 0.00 -3.69 2.29 5.68 -1.26 -4.30 116.55 119.99 3k14 n ASP 38 Ca 0.31 0.00 -0.27 0.00 -0.50 0.00 0.00 54.79 54.33 3k14 n ASP 38 Cb 0.42 0.00 0.04 0.00 -1.14 0.00 0.00 41.12 40.44 3k14 n ASP 38 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3k14 n ALA 39 N -0.61 -1.24 -2.46 2.12 0.00 -1.26 -4.63 120.51 112.42 3k14 n ALA 39 Ca 0.00 0.26 -0.38 0.00 0.00 0.00 0.00 53.44 53.32 3k14 n ALA 39 Cb 0.16 -4.64 -0.03 0.00 0.00 0.00 0.00 19.45 14.93 3k14 n ALA 39 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3k14 s ASP 40 N -3.20 6.25 0.34 0.00 -1.08 -1.26 -4.84 116.67 112.88 3k14 s ASP 40 Ca 0.59 -1.36 0.06 0.00 -0.52 0.00 0.00 52.55 51.32 3k14 s ASP 40 Cb -0.28 -2.57 0.73 0.00 -1.46 0.00 0.00 42.92 39.33 3k14 s ASP 40 CO 0.73 -1.74 1.90 1.62 0.52 0.00 0.00 175.17 178.20 3k14 h VAL 41 N 6.81 0.94 -0.12 1.11 3.04 -1.90 -1.18 116.25 124.94 3k14 h VAL 41 Ca 0.19 -0.27 -0.08 0.00 -1.01 0.00 0.00 66.70 65.53 3k14 h VAL 41 Cb 1.00 0.08 0.00 0.00 -2.01 0.00 0.00 31.29 30.36 3k14 h VAL 41 CO 1.39 0.14 -0.23 0.25 -1.01 0.00 0.00 177.57 178.11 3k14 h LEU 42 N 0.79 0.41 -0.92 3.16 5.85 -1.90 -2.25 115.31 120.46 3k14 h LEU 42 Ca 0.40 -0.56 -0.09 0.00 0.84 0.00 0.00 57.88 58.48 3k14 h LEU 42 Cb 0.48 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 3k14 h LEU 42 CO -0.17 0.89 -0.13 -0.07 -0.34 0.00 0.00 178.44 178.63 3k14 h LEU 43 N -0.05 0.64 -0.38 2.25 3.38 -1.83 -2.10 115.31 117.21 3k14 h LEU 43 Ca 0.00 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3k14 h LEU 43 Cb 0.82 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 3k14 h LEU 43 CO 0.05 0.79 0.24 0.45 0.09 0.00 0.00 178.44 180.06 3k14 h HIS 44 N 0.59 0.49 -0.72 1.13 3.86 -1.23 -0.50 115.15 118.76 3k14 h HIS 44 Ca 0.10 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.30 3k14 h HIS 44 Cb 0.56 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.84 3k14 h HIS 44 CO 0.02 0.33 0.39 0.00 0.86 0.00 0.00 177.93 179.53 3k14 h ALA 45 N 1.12 0.93 -0.43 2.45 0.00 -1.13 -1.06 119.26 121.13 3k14 h ALA 45 Ca 0.14 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3k14 h ALA 45 Cb -0.03 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3k14 h ALA 45 CO -0.03 0.45 0.03 0.82 0.00 0.00 0.00 179.25 180.52 3k14 h ILE 46 N 1.00 1.25 -0.23 0.00 2.04 -1.20 -1.13 117.51 119.24 3k14 h ILE 46 Ca 0.25 -0.97 0.05 0.00 1.00 0.00 0.00 64.86 65.19 3k14 h ILE 46 Cb 0.05 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 37.12 3k14 h ILE 46 CO -0.04 0.34 -0.07 0.74 0.00 0.00 0.00 178.15 179.12 3k14 h THR 47 N 0.59 0.75 -0.72 -0.27 2.02 -0.82 -0.50 112.91 113.97 3k14 h THR 47 Ca 0.13 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.33 3k14 h THR 47 Cb 0.44 0.75 -0.04 0.00 -1.74 0.00 0.00 68.15 67.56 3k14 h THR 47 CO 0.02 0.00 0.46 0.44 0.37 0.00 0.00 175.52 176.81 3k14 h ASP 48 N -0.01 0.78 -0.79 4.18 3.45 -1.04 -1.17 116.42 121.82 3k14 h ASP 48 Ca 0.11 -0.01 -0.02 0.00 0.43 0.00 0.00 57.03 57.54 3k14 h ASP 48 Cb 0.19 -0.18 -0.04 0.00 -0.56 0.00 0.00 39.33 38.74 3k14 h ASP 48 CO -0.25 0.55 0.41 0.00 -1.57 0.00 0.00 179.24 178.39 3k14 h ALA 49 N 1.29 1.23 -0.04 3.45 0.00 -0.70 -0.06 119.26 124.42 3k14 h ALA 49 Ca 0.28 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3k14 h ALA 49 Cb -0.04 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.43 3k14 h ALA 49 CO -0.09 0.61 -0.01 -0.07 0.00 0.00 0.00 179.25 179.69 3k14 h LEU 50 N 1.12 0.08 -1.19 0.00 3.38 -0.72 -1.04 115.31 116.93 3k14 h LEU 50 Ca 0.28 -0.37 0.08 0.00 0.09 0.00 0.00 57.88 57.96 3k14 h LEU 50 Cb 0.06 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.73 3k14 h LEU 50 CO -0.04 0.43 0.57 -0.26 0.09 0.00 0.00 178.44 179.23 3k14 h PHE 51 N -0.28 0.97 -0.39 1.13 0.04 -1.12 -2.49 116.94 114.81 3k14 h PHE 51 Ca 0.01 0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.74 3k14 h PHE 51 Cb 0.40 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 38.22 3k14 h PHE 51 CO 0.05 0.48 -0.03 0.78 -0.60 0.00 0.00 178.31 178.99 3k14 h GLY 52 N 0.93 0.76 1.58 -1.45 0.00 -0.78 -0.14 103.07 103.96 3k14 h GLY 52 Ca 0.40 -0.58 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 3k14 h GLY 52 CO -0.16 0.53 0.15 0.00 0.00 0.00 0.00 176.54 177.07 3k14 h ALA 53 N 0.86 1.54 -0.01 3.60 0.00 -0.93 -1.99 119.26 122.34 3k14 h ALA 53 Ca 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3k14 h ALA 53 Cb 0.52 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3k14 h ALA 53 CO 0.03 0.36 -0.12 0.00 0.00 0.00 0.00 179.25 179.52 3k14 n ALA 54 N -2.47 2.79 -3.80 0.00 0.00 -0.96 -4.63 120.51 111.43 3k14 n ALA 54 Ca 0.03 -0.30 -0.26 0.00 0.00 0.00 0.00 53.44 52.90 3k14 n ALA 54 Cb 0.14 -1.30 0.04 0.00 0.00 0.00 0.00 19.45 18.33 3k14 n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k14 n ALA 55 N -0.80 -1.56 -0.62 0.00 0.00 -0.67 -4.92 120.51 111.95 3k14 n ALA 55 Ca 0.15 0.09 0.09 0.00 0.00 0.00 0.00 53.44 53.77 3k14 n ALA 55 Cb 0.29 -3.66 0.32 0.00 0.00 0.00 0.00 19.45 16.40 3k14 n ALA 55 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3k14 n LEU 56 N -4.56 4.46 0.00 0.00 4.77 -0.15 -5.03 117.00 116.48 3k14 n LEU 56 Ca -0.09 -2.47 0.00 0.00 -0.03 0.00 0.00 56.01 53.43 3k14 n LEU 56 Cb 0.59 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3k14 n LEU 56 CO 0.72 0.79 0.00 0.61 -1.33 0.00 0.00 177.39 178.17 3k14 n GLY 57 N 0.86 0.86 3.55 -0.72 0.00 -1.26 -4.90 105.19 103.58 3k14 n GLY 57 Ca 0.24 -1.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.10 3k14 n GLY 57 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3k14 s ASP 58 N -4.00 0.55 0.29 1.61 1.47 -1.26 -4.11 116.67 111.22 3k14 s ASP 58 Ca 0.00 -1.31 -0.00 0.00 1.18 0.00 0.00 52.55 52.41 3k14 s ASP 58 Cb 0.00 0.67 0.49 0.00 -0.34 0.00 0.00 42.92 43.74 3k14 s ASP 58 CO 0.00 -1.32 1.90 -0.29 0.68 0.00 0.00 175.17 176.15 3k14 h ILE 59 N 2.13 1.07 -0.13 2.11 2.10 -1.91 -2.23 117.51 120.65 3k14 h ILE 59 Ca -0.28 -0.37 -0.10 0.00 1.08 0.00 0.00 64.86 65.19 3k14 h ILE 59 Cb 1.24 -0.10 -0.01 0.00 -1.09 0.00 0.00 36.82 36.87 3k14 h ILE 59 CO 0.39 0.20 -0.35 1.23 -1.08 0.00 0.00 178.15 178.53 3k14 h GLY 60 N 1.07 0.29 1.60 8.18 0.00 -1.97 0.04 103.07 112.28 3k14 h GLY 60 Ca 0.40 -0.25 -0.19 0.00 0.00 0.00 0.00 47.33 47.29 3k14 h GLY 60 CO -0.15 0.23 -0.78 3.21 0.00 0.00 0.00 176.54 179.04 3k14 h ARG 61 N 0.23 0.38 0.19 4.80 3.08 -1.82 -3.33 114.38 117.91 3k14 h ARG 61 Ca 0.03 -0.34 -0.29 0.00 0.07 0.00 0.00 59.98 59.45 3k14 h ARG 61 Cb 0.73 0.08 0.02 0.00 0.08 0.00 0.00 29.97 30.88 3k14 h ARG 61 CO 0.06 0.99 -1.36 0.45 -1.07 0.00 0.00 179.97 179.03 3k14 h HIS 62 N 0.25 0.72 -3.14 3.04 3.86 -1.24 -3.43 115.15 115.21 3k14 h HIS 62 Ca -0.04 -0.52 -0.62 0.00 -1.16 0.00 0.00 60.37 58.02 3k14 h HIS 62 Cb 1.37 -0.03 -0.41 0.00 1.06 0.00 0.00 27.41 29.41 3k14 h HIS 62 CO 0.05 1.53 -0.68 -0.06 0.86 0.00 0.00 177.93 179.62 3k14 s PHE 63 N -2.53 2.67 0.11 2.45 0.08 -0.02 -5.09 117.98 115.65 3k14 s PHE 63 Ca -0.14 -2.87 -0.30 0.00 0.12 0.00 0.00 56.93 53.74 3k14 s PHE 63 Cb 0.04 -2.35 -0.06 0.00 -0.57 0.00 0.00 43.02 40.07 3k14 s PHE 63 CO 0.86 -0.73 1.13 0.45 -0.10 0.00 0.00 175.22 176.83 3k14 s SER 64 N -0.19 7.19 0.00 1.36 0.15 -1.25 -4.57 113.70 116.38 3k14 s SER 64 Ca 0.19 2.01 0.10 0.00 0.70 0.00 0.00 55.95 58.95 3k14 s SER 64 Cb -0.21 -2.59 0.44 0.00 -1.71 0.00 0.00 66.02 61.95 3k14 s SER 64 CO -0.03 -0.34 1.26 -0.90 1.20 0.00 0.00 173.24 174.43 3k14 n ASP 65 N 3.24 0.00 -2.04 5.45 3.85 -1.26 -5.16 116.55 120.63 3k14 n ASP 65 Ca 0.06 0.36 -0.23 0.00 -0.71 0.00 0.00 54.79 54.27 3k14 n ASP 65 Cb 0.47 -0.42 0.06 0.00 -1.35 0.00 0.00 41.12 39.88 3k14 n ASP 65 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.20 176.60 3k14 n THR 66 N -1.42 3.06 -0.01 2.12 -1.04 -1.26 -5.32 114.28 110.42 3k14 n THR 66 Ca 0.03 -2.08 0.00 0.00 -2.04 0.00 0.00 64.05 59.96 3k14 n THR 66 Cb 0.10 -1.22 0.00 0.00 -1.82 0.00 0.00 70.33 67.38 3k14 n THR 66 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3k14 n ALA 73 N -0.17 -1.08 -1.94 2.41 0.00 -1.26 -5.22 120.51 113.25 3k14 n ALA 73 Ca 0.42 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.60 3k14 n ALA 73 Cb 0.66 -0.18 0.10 0.00 0.00 0.00 0.00 19.45 20.03 3k14 n ALA 73 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3k14 s ASP 74 N -0.34 4.40 0.51 0.00 1.47 -1.26 -4.85 116.67 116.61 3k14 s ASP 74 Ca 0.00 0.31 0.29 0.00 1.18 0.00 0.00 52.55 54.32 3k14 s ASP 74 Cb 0.00 -0.79 1.35 0.00 -0.34 0.00 0.00 42.92 43.14 3k14 s ASP 74 CO 0.00 -1.87 2.01 0.28 0.68 0.00 0.00 175.17 176.27 3k14 h SER 75 N -0.81 0.00 -0.29 2.11 0.02 -1.97 -2.09 113.55 110.53 3k14 h SER 75 Ca -0.43 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.34 3k14 h SER 75 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 3k14 h SER 75 CO 0.53 0.12 -0.51 0.03 -1.14 0.00 0.00 176.83 175.86 3k14 h ARG 76 N 0.00 0.86 -0.60 3.45 3.08 -1.98 -0.80 114.38 118.40 3k14 h ARG 76 Ca -0.00 -0.54 0.01 0.00 0.07 0.00 0.00 59.98 59.52 3k14 h ARG 76 Cb 0.47 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.55 3k14 h ARG 76 CO 0.02 1.17 0.39 0.00 -1.07 0.00 0.00 179.97 180.48 3k14 h ALA 77 N 0.68 0.76 -0.56 0.04 0.00 -1.77 -0.57 119.26 117.84 3k14 h ALA 77 Ca 0.02 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3k14 h ALA 77 Cb 1.12 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 3k14 h ALA 77 CO 0.12 0.18 0.35 -0.07 0.00 0.00 0.00 179.25 179.82 3k14 h LEU 78 N 0.80 0.67 -0.53 0.00 3.38 -1.39 -1.61 115.31 116.62 3k14 h LEU 78 Ca 0.22 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.15 3k14 h LEU 78 Cb -0.08 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 3k14 h LEU 78 CO -0.06 0.52 0.34 0.25 0.09 0.00 0.00 178.44 179.59 3k14 h LEU 79 N 0.76 0.58 -0.79 1.67 5.85 -0.83 0.06 115.31 122.60 3k14 h LEU 79 Ca 0.20 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 3k14 h LEU 79 Cb -0.03 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 3k14 h LEU 79 CO -0.04 0.41 0.39 0.03 -0.34 0.00 0.00 178.44 178.89 3k14 h ARG 80 N 0.69 1.13 -0.43 1.25 3.08 -0.83 -1.13 114.38 118.14 3k14 h ARG 80 Ca 0.20 -0.16 -0.15 0.00 0.07 0.00 0.00 59.98 59.94 3k14 h ARG 80 Cb -0.05 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.79 3k14 h ARG 80 CO -0.06 0.87 -0.31 1.49 -1.07 0.00 0.00 179.97 180.89 3k14 h GLU 81 N 1.11 0.97 -0.33 0.04 4.57 -1.02 -1.71 114.58 118.22 3k14 h GLU 81 Ca 0.27 -0.47 0.07 0.00 -1.18 0.00 0.00 59.36 58.06 3k14 h GLU 81 Cb 0.11 -0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 28.62 3k14 h GLU 81 CO -0.04 1.14 -0.16 0.00 -1.18 0.00 0.00 179.01 178.77 3k14 h ALA 83 N 1.15 1.23 -0.73 0.00 0.00 -0.91 -0.69 119.26 119.31 3k14 h ALA 83 Ca 0.17 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3k14 h ALA 83 Cb 0.36 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3k14 h ALA 83 CO -0.40 0.63 0.39 1.03 0.00 0.00 0.00 179.25 180.90 3k14 h SER 84 N 1.21 0.92 -0.35 0.00 0.87 -0.79 -1.05 113.55 114.37 3k14 h SER 84 Ca 0.31 -0.11 -0.16 0.00 -1.23 0.00 0.00 61.79 60.60 3k14 h SER 84 Cb -0.00 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 61.72 3k14 h SER 84 CO -0.05 0.77 -0.42 0.03 -0.53 0.00 0.00 176.83 176.63 3k14 h ARG 85 N 1.01 0.89 -0.60 2.24 3.08 -0.61 -1.50 114.38 118.90 3k14 h ARG 85 Ca 0.25 -0.50 0.01 0.00 0.07 0.00 0.00 59.98 59.82 3k14 h ARG 85 Cb 0.06 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 3k14 h ARG 85 CO -0.04 1.14 0.39 0.28 -1.07 0.00 0.00 179.97 180.67 3k14 h VAL 86 N 0.69 1.12 -0.66 2.04 2.07 -1.02 -1.32 116.25 119.18 3k14 h VAL 86 Ca 0.05 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 3k14 h VAL 86 Cb 1.01 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 3k14 h VAL 86 CO 0.10 0.14 0.34 0.00 0.02 0.00 0.00 177.57 178.17 3k14 h ALA 87 N 1.23 0.84 0.00 1.67 0.00 -1.06 -2.04 119.26 119.91 3k14 h ALA 87 Ca 0.23 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3k14 h ALA 87 Cb -0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3k14 h ALA 87 CO -0.07 0.38 -0.44 1.96 0.00 0.00 0.00 179.25 181.08 3k14 h GLN 88 N 0.90 0.00 0.00 0.00 1.08 -0.95 -1.69 115.11 114.44 3k14 h GLN 88 Ca 0.23 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.43 3k14 h GLN 88 Cb 0.08 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 3k14 h GLN 88 CO -0.03 0.44 0.00 0.00 -0.95 0.00 0.00 178.83 178.29 3k14 n ALA 89 N -2.41 1.90 0.00 3.87 0.00 -0.53 -4.87 120.51 118.47 3k14 n ALA 89 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3k14 n ALA 89 Cb 0.49 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.62 3k14 n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k14 n GLY 90 N 0.53 1.26 3.60 0.00 0.00 -0.64 -5.09 105.19 104.85 3k14 n GLY 90 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 3k14 n GLY 90 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k14 s PHE 91 N -2.00 3.04 -0.13 1.61 0.08 -0.78 -4.32 117.98 115.48 3k14 s PHE 91 Ca 0.00 0.00 -0.07 0.00 0.12 0.00 0.00 56.93 56.99 3k14 s PHE 91 Cb 0.00 -1.81 -0.04 0.00 -0.57 0.00 0.00 43.02 40.60 3k14 s PHE 91 CO 0.00 0.28 0.11 0.00 -0.10 0.00 0.00 175.22 175.51 3k14 s ALA 92 N -0.52 3.71 0.05 5.36 0.00 0.25 -3.66 121.76 126.95 3k14 s ALA 92 Ca 0.08 -0.68 -0.29 0.00 0.00 0.00 0.00 51.96 51.07 3k14 s ALA 92 Cb -0.12 -1.92 -0.05 0.00 0.00 0.00 0.00 23.12 21.03 3k14 s ALA 92 CO 0.02 0.49 0.93 0.42 0.00 0.00 0.00 175.76 177.62 3k14 s ILE 93 N -0.63 4.70 -0.25 0.00 1.01 -1.26 -0.84 121.20 123.94 3k14 s ILE 93 Ca 0.12 1.98 -0.01 0.00 0.00 0.00 0.00 60.65 62.74 3k14 s ILE 93 Cb -0.12 -4.28 -0.15 0.00 0.01 0.00 0.00 42.46 37.92 3k14 s ILE 93 CO 0.02 0.26 -0.24 0.54 0.00 0.00 0.00 174.94 175.52 3k14 n ARG 94 N 3.28 0.60 -3.48 2.79 5.12 0.45 -4.95 116.66 120.47 3k14 n ARG 94 Ca 0.03 0.16 -0.10 0.00 -1.93 0.00 0.00 57.85 56.01 3k14 n ARG 94 Cb 0.50 -1.48 -0.02 0.00 -1.16 0.00 0.00 32.46 30.30 3k14 n ARG 94 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3k14 s ASN 95 N -6.56 -0.44 -0.03 0.55 4.22 -1.11 -4.85 114.94 106.72 3k14 s ASN 95 Ca -0.34 -0.01 0.03 0.00 -2.14 0.00 0.00 52.86 50.40 3k14 s ASN 95 Cb 0.10 0.48 0.00 0.00 1.28 0.00 0.00 41.25 43.10 3k14 s ASN 95 CO 0.54 -0.77 -0.10 -0.69 -2.04 0.00 0.00 177.10 174.04 3k14 s VAL 96 N -3.38 0.84 0.12 3.54 1.01 -0.14 -1.65 120.40 120.75 3k14 s VAL 96 Ca 0.04 -0.40 0.05 0.00 0.00 0.00 0.00 61.98 61.67 3k14 s VAL 96 Cb -0.01 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 3k14 s VAL 96 CO -0.10 0.26 -0.13 -0.62 0.00 0.00 0.00 175.10 174.51 3k14 s ASP 97 N 0.14 1.85 0.18 3.32 2.15 -0.45 -0.99 116.67 122.87 3k14 s ASP 97 Ca -0.03 -0.84 -0.23 0.00 0.43 0.00 0.00 52.55 51.89 3k14 s ASP 97 Cb -0.08 -0.05 0.06 0.00 -0.30 0.00 0.00 42.92 42.55 3k14 s ASP 97 CO 0.01 -0.19 0.65 -0.94 -0.17 0.00 0.00 175.17 174.52 3k14 s SER 98 N -2.55 -0.48 -0.02 -0.34 1.04 -0.96 -0.57 113.70 109.82 3k14 s SER 98 Ca 0.09 -0.16 0.01 0.00 0.48 0.00 0.00 55.95 56.38 3k14 s SER 98 Cb -0.04 0.62 0.01 0.00 0.10 0.00 0.00 66.02 66.72 3k14 s SER 98 CO 0.02 -1.05 -0.03 -0.89 0.98 0.00 0.00 173.24 172.28 3k14 s THR 99 N -3.76 0.33 -0.18 2.02 2.01 -0.04 -0.87 115.64 115.14 3k14 s THR 99 Ca 0.04 -0.07 -0.07 0.00 0.31 0.00 0.00 61.69 61.89 3k14 s THR 99 Cb -0.02 -0.35 -0.04 0.00 0.01 0.00 0.00 72.50 72.10 3k14 s THR 99 CO -0.08 0.15 0.07 -0.63 -0.69 0.00 0.00 174.62 173.44 3k14 s ILE 100 N 0.56 4.85 -0.29 1.82 1.01 0.42 -0.86 121.20 128.70 3k14 s ILE 100 Ca -0.06 -0.01 -0.05 0.00 0.00 0.00 0.00 60.65 60.52 3k14 s ILE 100 Cb -0.09 -3.18 0.02 0.00 0.01 0.00 0.00 42.46 39.22 3k14 s ILE 100 CO -0.01 0.47 0.05 -0.63 0.00 0.00 0.00 174.94 174.82 3k14 s ILE 101 N 0.29 3.65 -0.11 2.92 1.01 0.14 -0.58 121.20 128.51 3k14 s ILE 101 Ca 0.04 -0.89 -0.06 0.00 0.00 0.00 0.00 60.65 59.74 3k14 s ILE 101 Cb -0.12 -2.93 0.05 0.00 0.01 0.00 0.00 42.46 39.47 3k14 s ILE 101 CO 0.00 0.04 0.27 0.00 0.00 0.00 0.00 174.94 175.25 3k14 s ALA 102 N 1.43 -0.64 0.28 9.38 0.00 -0.39 -1.81 121.76 130.01 3k14 s ALA 102 Ca 0.01 1.07 0.06 0.00 0.00 0.00 0.00 51.96 53.10 3k14 s ALA 102 Cb -0.18 -0.67 0.42 0.00 0.00 0.00 0.00 23.12 22.69 3k14 s ALA 102 CO 0.01 -0.20 1.67 0.37 0.00 0.00 0.00 175.76 177.61 3k14 h GLN 103 N 7.09 0.24 -2.53 0.00 5.75 -1.82 -3.35 115.11 120.49 3k14 h GLN 103 Ca -0.39 -0.12 -0.05 0.00 -0.15 0.00 0.00 58.65 57.94 3k14 h GLN 103 Cb 1.16 0.00 -0.16 0.00 1.07 0.00 0.00 27.48 29.55 3k14 h GLN 103 CO 0.36 0.64 0.14 0.00 -2.65 0.00 0.00 178.83 177.32 3k14 s ALA 104 N -4.07 -1.56 0.83 3.38 0.00 -1.26 -4.87 121.76 114.21 3k14 s ALA 104 Ca -0.04 0.85 -0.04 0.00 0.00 0.00 0.00 51.96 52.72 3k14 s ALA 104 Cb 0.13 0.35 0.08 0.00 0.00 0.00 0.00 23.12 23.69 3k14 s ALA 104 CO 0.78 -0.51 0.50 -0.35 0.00 0.00 0.00 175.76 176.18 3k14 n PRO 105 N 0.42 -0.24 -2.09 0.00 -0.04 -1.26 -5.06 135.00 126.73 3k14 n PRO 105 Ca -0.18 -0.95 -0.42 0.00 -0.04 0.00 0.00 63.50 61.90 3k14 n PRO 105 Cb 0.60 -0.47 -0.03 0.00 -0.04 0.00 0.00 33.50 33.57 3k14 n PRO 105 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 3k14 s LYS 106 N -3.96 4.24 -0.00 0.54 0.00 -1.26 -4.92 119.74 114.38 3k14 s LYS 106 Ca 0.30 2.13 0.22 0.00 0.00 0.00 0.00 55.97 58.62 3k14 s LYS 106 Cb -0.01 -3.58 -0.25 0.00 0.00 0.00 0.00 37.83 33.99 3k14 s LYS 106 CO 0.21 -0.64 0.69 1.28 0.00 0.00 0.00 175.35 176.88 3k14 n LEU 107 N 5.44 0.40 -0.29 2.77 4.77 -1.26 -4.58 117.00 124.26 3k14 n LEU 107 Ca 0.14 -0.15 0.10 0.00 -0.03 0.00 0.00 56.01 56.08 3k14 n LEU 107 Cb 0.42 -0.01 0.26 0.00 -2.33 0.00 0.00 43.42 41.76 3k14 n LEU 107 CO 0.60 0.08 1.01 0.00 -1.33 0.00 0.00 177.39 177.75 3k14 h ALA 108 N 2.37 1.27 0.00 -1.18 0.00 -1.97 -1.19 119.26 118.56 3k14 h ALA 108 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3k14 h ALA 108 Cb 0.82 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3k14 h ALA 108 CO 0.00 -0.32 0.00 -1.35 0.00 0.00 0.00 179.25 177.58 3k14 h PRO 109 N 0.37 0.00 -0.02 0.00 0.11 -2.02 -2.87 132.00 127.57 3k14 h PRO 109 Ca 0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.62 3k14 h PRO 109 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 3k14 h PRO 109 CO -0.52 0.00 -0.16 0.72 -0.21 0.00 0.00 178.00 177.83 3k14 n HIS 110 N -2.66 0.00 -0.08 0.65 8.25 -0.45 -4.62 115.22 116.31 3k14 n HIS 110 Ca -0.01 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.35 3k14 n HIS 110 Cb 0.13 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.22 3k14 n HIS 110 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3k14 h ILE 111 N 2.97 1.13 -0.44 1.59 1.08 -1.48 -1.88 117.51 120.48 3k14 h ILE 111 Ca 0.00 -0.34 -0.04 0.00 -0.39 0.00 0.00 64.86 64.10 3k14 h ILE 111 Cb 0.71 0.86 -0.02 0.00 -3.07 0.00 0.00 36.82 35.30 3k14 h ILE 111 CO 0.00 0.13 0.13 0.44 -0.69 0.00 0.00 178.15 178.15 3k14 h ASP 112 N 0.32 0.60 -0.54 1.72 3.32 -1.82 -0.35 116.42 119.68 3k14 h ASP 112 Ca 0.09 -0.08 -0.06 0.00 0.02 0.00 0.00 57.03 57.00 3k14 h ASP 112 Cb 0.07 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 3k14 h ASP 112 CO -0.01 0.58 0.08 0.00 -1.72 0.00 0.00 179.24 178.17 3k14 h ALA 113 N 1.50 0.71 -0.33 3.45 0.00 -1.78 -0.22 119.26 122.60 3k14 h ALA 113 Ca 0.15 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3k14 h ALA 113 Cb 0.21 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3k14 h ALA 113 CO -0.01 0.46 0.08 0.52 0.00 0.00 0.00 179.25 180.30 3k14 h MET 114 N 0.78 0.53 -0.71 0.00 2.86 -0.78 -1.88 114.93 115.73 3k14 h MET 114 Ca 0.16 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 3k14 h MET 114 Cb 0.41 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.97 3k14 h MET 114 CO 0.01 0.59 0.45 0.00 1.06 0.00 0.00 176.91 179.03 3k14 h ARG 115 N 0.38 0.96 -0.65 1.72 3.08 -0.92 -0.67 114.38 118.27 3k14 h ARG 115 Ca 0.10 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3k14 h ARG 115 Cb 0.30 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 3k14 h ARG 115 CO 0.00 0.65 0.42 0.00 -1.07 0.00 0.00 179.97 179.98 3k14 h ALA 116 N 1.24 0.83 -0.34 0.04 0.00 -0.91 0.64 119.26 120.77 3k14 h ALA 116 Ca 0.26 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3k14 h ALA 116 Cb -0.07 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 3k14 h ALA 116 CO -0.05 0.28 0.07 -0.91 0.00 0.00 0.00 179.25 178.63 3k14 h ASN 117 N 0.89 0.52 -0.20 0.00 2.35 -0.88 -1.67 115.58 116.59 3k14 h ASN 117 Ca 0.24 -0.24 -0.03 0.00 -0.55 0.00 0.00 56.30 55.71 3k14 h ASN 117 Cb -0.08 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.15 3k14 h ASN 117 CO -0.05 0.63 0.01 0.40 -1.65 0.00 0.00 177.43 176.77 3k14 h ILE 118 N 0.39 1.25 -0.86 2.81 2.04 -0.98 -1.59 117.51 120.56 3k14 h ILE 118 Ca 0.10 -0.84 0.01 0.00 1.00 0.00 0.00 64.86 65.13 3k14 h ILE 118 Cb 0.32 1.41 -0.04 0.00 -0.74 0.00 0.00 36.82 37.77 3k14 h ILE 118 CO 0.00 0.26 0.57 0.00 0.00 0.00 0.00 178.15 178.98 3k14 h ALA 119 N 0.80 1.09 -0.14 1.87 0.00 -0.87 -1.04 119.26 120.97 3k14 h ALA 119 Ca 0.06 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3k14 h ALA 119 Cb 0.37 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3k14 h ALA 119 CO 0.01 0.50 0.03 0.00 0.00 0.00 0.00 179.25 179.79 3k14 h ALA 120 N 1.32 0.14 -0.11 0.00 0.00 -1.18 0.11 119.26 119.54 3k14 h ALA 120 Ca 0.32 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.18 3k14 h ALA 120 Cb -0.14 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3k14 h ALA 120 CO -0.07 -0.42 -0.25 -0.44 0.00 0.00 0.00 179.25 178.08 3k14 h ASP 121 N 0.09 0.18 -0.04 0.00 3.32 -0.84 -2.55 116.42 116.59 3k14 h ASP 121 Ca 0.06 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3k14 h ASP 121 Cb 0.05 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3k14 h ASP 121 CO -0.08 0.44 0.00 0.18 -1.72 0.00 0.00 179.24 178.07 3k14 n LEU 122 N -4.18 2.20 -3.89 1.55 4.77 -0.44 -4.50 117.00 112.53 3k14 n LEU 122 Ca -0.01 -0.75 -0.25 0.00 -0.03 0.00 0.00 56.01 54.97 3k14 n LEU 122 Cb 0.35 -0.01 -0.00 0.00 -2.33 0.00 0.00 43.42 41.43 3k14 n LEU 122 CO 0.39 0.37 -0.17 -0.67 -1.33 0.00 0.00 177.39 175.99 3k14 n ASP 123 N 0.72 -0.80 -4.50 -1.43 2.03 -0.33 -4.99 116.55 107.26 3k14 n ASP 123 Ca 0.17 -0.94 -0.30 0.00 0.52 0.00 0.00 54.79 54.23 3k14 n ASP 123 Cb 0.47 -3.36 -0.11 0.00 -0.72 0.00 0.00 41.12 37.39 3k14 n ASP 123 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3k14 s LEU 124 N -6.90 2.77 0.50 -2.67 1.43 -0.12 -5.04 118.68 108.63 3k14 s LEU 124 Ca 0.05 -0.48 -0.23 0.00 -1.03 0.00 0.00 54.13 52.44 3k14 s LEU 124 Cb -0.03 -1.61 -0.07 0.00 0.03 0.00 0.00 46.19 44.52 3k14 s LEU 124 CO 0.87 0.20 1.36 -2.65 0.23 0.00 0.00 176.35 176.36 3k14 n PRO 125 N 0.98 1.90 -0.20 1.29 -0.02 -1.26 -4.57 135.00 133.12 3k14 n PRO 125 Ca -0.15 0.69 0.14 0.00 -2.02 0.00 0.00 63.50 62.15 3k14 n PRO 125 Cb 0.52 -2.56 0.46 0.00 -0.02 0.00 0.00 33.50 31.91 3k14 n PRO 125 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3k14 h LEU 126 N 1.80 0.48 0.00 2.45 5.85 -1.94 -1.50 115.31 122.45 3k14 h LEU 126 Ca -0.50 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.24 3k14 h LEU 126 Cb 1.29 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.25 3k14 h LEU 126 CO 0.59 0.25 0.00 -0.90 -0.34 0.00 0.00 178.44 178.04 3k14 n ASP 127 N -4.50 0.00 -0.65 1.25 5.75 -1.26 -2.08 116.55 115.05 3k14 n ASP 127 Ca 0.15 -1.27 0.06 0.00 -0.01 0.00 0.00 54.79 53.72 3k14 n ASP 127 Cb 0.50 0.00 0.15 0.00 -1.03 0.00 0.00 41.12 40.74 3k14 n ASP 127 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3k14 n ARG 128 N -0.67 2.64 -4.40 0.11 1.74 -0.57 -4.97 116.66 110.54 3k14 n ARG 128 Ca 0.06 -1.99 -0.28 0.00 -0.77 0.00 0.00 57.85 54.88 3k14 n ARG 128 Cb 0.03 -1.28 -0.17 0.00 -1.02 0.00 0.00 32.46 30.03 3k14 n ARG 128 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3k14 s VAL 129 N -1.00 1.40 0.00 1.55 1.01 -0.88 -0.96 120.40 121.51 3k14 s VAL 129 Ca 0.23 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 61.67 3k14 s VAL 129 Cb 0.12 -1.29 -0.01 0.00 0.00 0.00 0.00 36.38 35.20 3k14 s VAL 129 CO 0.16 0.42 -0.11 0.21 0.00 0.00 0.00 175.10 175.78 3k14 s ASN 130 N 1.03 1.32 -0.06 3.32 2.47 -0.16 -4.98 114.94 117.89 3k14 s ASN 130 Ca -0.06 -0.25 0.02 0.00 0.42 0.00 0.00 52.86 52.99 3k14 s ASN 130 Cb -0.15 -0.13 0.02 0.00 -1.45 0.00 0.00 41.25 39.54 3k14 s ASN 130 CO -0.02 0.11 -0.09 -0.69 -3.72 0.00 0.00 177.10 172.69 3k14 s VAL 131 N -0.39 0.90 0.20 -5.21 1.01 -1.26 -2.27 120.40 113.38 3k14 s VAL 131 Ca 0.03 -0.34 0.10 0.00 0.00 0.00 0.00 61.98 61.78 3k14 s VAL 131 Cb -0.05 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 3k14 s VAL 131 CO -0.00 0.30 -0.16 -0.54 0.00 0.00 0.00 175.10 174.70 3k14 s LYS 132 N 0.75 1.81 -0.02 2.72 1.02 -0.05 -4.97 119.74 120.99 3k14 s LYS 132 Ca -0.13 -1.42 0.05 0.00 0.02 0.00 0.00 55.97 54.48 3k14 s LYS 132 Cb -0.15 -2.00 -0.01 0.00 -0.52 0.00 0.00 37.83 35.15 3k14 s LYS 132 CO 0.02 0.41 -0.18 0.00 -0.92 0.00 0.00 175.35 174.69 3k14 s ALA 133 N -1.78 1.50 0.02 5.17 0.00 -1.26 -0.44 121.76 124.97 3k14 s ALA 133 Ca 0.24 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.46 3k14 s ALA 133 Cb -0.08 -0.42 -0.02 0.00 0.00 0.00 0.00 23.12 22.60 3k14 s ALA 133 CO 0.13 0.33 -0.03 0.15 0.00 0.00 0.00 175.76 176.34 3k14 s LYS 134 N -0.25 0.31 0.61 0.00 -0.14 0.25 -4.94 119.74 115.58 3k14 s LYS 134 Ca 0.03 -0.60 0.02 0.00 -1.36 0.00 0.00 55.97 54.06 3k14 s LYS 134 Cb -0.09 0.10 0.08 0.00 -1.68 0.00 0.00 37.83 36.24 3k14 s LYS 134 CO 0.00 -0.05 0.85 0.95 -0.76 0.00 0.00 175.35 176.35 3k14 s THR 135 N -1.43 2.41 -0.25 2.17 -4.23 -1.26 -1.26 115.64 111.79 3k14 s THR 135 Ca -0.16 -0.71 0.13 0.00 -1.18 0.00 0.00 61.69 59.78 3k14 s THR 135 Cb -0.10 -2.70 0.66 0.00 1.34 0.00 0.00 72.50 71.70 3k14 s THR 135 CO -0.01 0.00 1.62 -3.20 -0.54 0.00 0.00 174.62 172.49 3k14 n ASN 136 N -2.49 4.40 -4.01 3.99 5.15 -1.26 -4.83 115.26 116.22 3k14 n ASN 136 Ca 0.12 -3.16 -0.32 0.00 -0.60 0.00 0.00 54.58 50.62 3k14 n ASN 136 Cb 0.60 -0.65 0.01 0.00 -0.53 0.00 0.00 39.78 39.21 3k14 n ASN 136 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3k14 n GLU 137 N -0.26 -4.79 -1.27 1.20 -0.58 -1.26 -1.36 120.64 112.32 3k14 n GLU 137 Ca 0.31 0.53 -0.09 0.00 -0.42 0.00 0.00 57.16 57.48 3k14 n GLU 137 Cb 1.14 -5.36 -0.04 0.00 -0.57 0.00 0.00 31.44 26.61 3k14 n GLU 137 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3k14 n LYS 138 N -4.59 -1.22 -3.77 3.49 5.02 -1.26 -4.99 118.16 110.84 3k14 n LYS 138 Ca 0.04 0.78 -0.36 0.00 -2.02 0.00 0.00 58.31 56.75 3k14 n LYS 138 Cb 0.52 -4.91 -0.07 0.00 -0.02 0.00 0.00 35.03 30.55 3k14 n LYS 138 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3k14 s LEU 139 N -2.14 4.33 0.00 -0.35 1.43 -0.47 -4.57 118.68 116.91 3k14 s LEU 139 Ca 0.00 0.45 0.00 0.00 -1.03 0.00 0.00 54.13 53.55 3k14 s LEU 139 Cb 0.00 -2.15 0.00 0.00 0.03 0.00 0.00 46.19 44.07 3k14 s LEU 139 CO 0.00 0.31 0.00 0.61 0.23 0.00 0.00 176.35 177.50 3k14 n GLY 140 N 2.53 -1.80 0.32 -3.19 0.00 -1.26 -0.83 105.19 100.96 3k14 n GLY 140 Ca -0.18 -1.30 0.07 0.00 0.00 0.00 0.00 46.02 44.62 3k14 n GLY 140 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 3k14 h TYR 141 N -0.22 0.49 -0.30 1.61 -0.00 -1.97 -0.71 116.97 115.87 3k14 h TYR 141 Ca 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 58.73 58.72 3k14 h TYR 141 Cb 0.22 -0.16 -0.01 0.00 0.00 0.00 0.00 36.73 36.77 3k14 h TYR 141 CO 0.00 0.28 0.06 -0.07 -0.00 0.00 0.00 178.16 178.44 3k14 h LEU 142 N 0.50 0.46 -1.78 0.10 3.38 -1.81 -0.09 115.31 116.08 3k14 h LEU 142 Ca 0.19 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3k14 h LEU 142 Cb 0.15 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3k14 h LEU 142 CO -0.05 0.58 -0.15 1.23 0.09 0.00 0.00 178.44 180.14 3k14 h GLY 143 N 0.32 0.00 -1.09 0.83 0.00 -0.03 -2.14 103.07 100.96 3k14 h GLY 143 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 3k14 h GLY 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.08 3k14 n ARG 144 N -3.76 1.89 -1.90 4.80 1.74 -0.36 -4.37 116.66 114.70 3k14 n ARG 144 Ca -0.02 -1.33 -0.07 0.00 -0.77 0.00 0.00 57.85 55.66 3k14 n ARG 144 Cb 0.26 -1.43 -0.01 0.00 -1.02 0.00 0.00 32.46 30.26 3k14 n ARG 144 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k14 n GLY 145 N 1.22 0.29 0.05 -0.13 0.00 -0.80 -4.92 105.19 100.88 3k14 n GLY 145 Ca 0.17 -0.63 0.11 0.00 0.00 0.00 0.00 46.02 45.67 3k14 n GLY 145 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3k14 n GLU 146 N -1.94 0.13 -3.77 1.61 1.02 -0.06 -4.65 120.64 112.98 3k14 n GLU 146 Ca -0.08 -0.09 -0.03 0.00 -0.02 0.00 0.00 57.16 56.93 3k14 n GLU 146 Cb 0.48 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.39 3k14 n GLU 146 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3k14 s GLY 147 N -2.93 -0.19 -0.03 0.62 0.00 -1.23 -0.74 107.32 102.82 3k14 s GLY 147 Ca 0.11 0.07 0.03 0.00 0.00 0.00 0.00 44.72 44.92 3k14 s GLY 147 CO 0.75 0.22 -0.09 -0.42 0.00 0.00 0.00 173.10 173.56 3k14 s ILE 148 N -3.15 0.80 0.10 0.90 1.01 -0.61 -4.56 121.20 115.70 3k14 s ILE 148 Ca 0.13 -0.37 0.06 0.00 0.00 0.00 0.00 60.65 60.47 3k14 s ILE 148 Cb -0.01 -0.71 -0.04 0.00 0.01 0.00 0.00 42.46 41.70 3k14 s ILE 148 CO 0.03 0.25 -0.05 -0.70 0.00 0.00 0.00 174.94 174.47 3k14 s GLU 149 N 0.18 2.32 0.04 2.79 2.12 -0.75 -2.18 118.70 123.22 3k14 s GLU 149 Ca -0.03 -0.95 0.04 0.00 0.36 0.00 0.00 54.97 54.39 3k14 s GLU 149 Cb -0.09 -2.41 -0.02 0.00 0.26 0.00 0.00 34.13 31.88 3k14 s GLU 149 CO 0.00 0.52 -0.13 0.00 -0.54 0.00 0.00 175.26 175.11 3k14 s ALA 150 N -1.29 1.09 0.03 6.30 0.00 0.14 -0.68 121.76 127.35 3k14 s ALA 150 Ca 0.24 -0.81 0.06 0.00 0.00 0.00 0.00 51.96 51.45 3k14 s ALA 150 Cb -0.11 -0.15 -0.02 0.00 0.00 0.00 0.00 23.12 22.83 3k14 s ALA 150 CO 0.16 0.19 -0.18 -0.65 0.00 0.00 0.00 175.76 175.29 3k14 s GLN 151 N -1.17 1.24 0.02 0.00 -0.21 -0.04 -1.28 119.66 118.22 3k14 s GLN 151 Ca 0.00 -0.80 -0.01 0.00 0.02 0.00 0.00 55.36 54.58 3k14 s GLN 151 Cb -0.08 -1.28 -0.02 0.00 1.00 0.00 0.00 33.01 32.63 3k14 s GLN 151 CO 0.01 0.33 -0.00 0.00 -2.12 0.00 0.00 175.29 173.51 3k14 s ALA 152 N -0.71 0.07 -0.01 6.09 0.00 -0.34 -0.86 121.76 126.00 3k14 s ALA 152 Ca 0.05 -0.55 0.03 0.00 0.00 0.00 0.00 51.96 51.50 3k14 s ALA 152 Cb -0.08 0.15 -0.01 0.00 0.00 0.00 0.00 23.12 23.18 3k14 s ALA 152 CO 0.01 -0.18 -0.10 0.00 0.00 0.00 0.00 175.76 175.49 3k14 s ALA 153 N -1.55 0.86 -0.00 0.00 0.00 0.26 -0.69 121.76 120.64 3k14 s ALA 153 Ca -0.15 -0.44 0.02 0.00 0.00 0.00 0.00 51.96 51.38 3k14 s ALA 153 Cb -0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 3k14 s ALA 153 CO -0.01 0.21 -0.05 0.00 0.00 0.00 0.00 175.76 175.91 3k14 s ALA 154 N -0.23 0.41 -0.12 0.00 0.00 -0.25 -1.35 121.76 120.22 3k14 s ALA 154 Ca 0.04 -0.25 0.02 0.00 0.00 0.00 0.00 51.96 51.76 3k14 s ALA 154 Cb -0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 3k14 s ALA 154 CO -0.00 0.09 -0.18 -1.17 0.00 0.00 0.00 175.76 174.49 3k14 s LEU 155 N -0.23 2.40 0.32 0.00 2.96 -0.66 -0.67 118.68 122.81 3k14 s LEU 155 Ca 0.01 -0.45 0.04 0.00 -0.22 0.00 0.00 54.13 53.50 3k14 s LEU 155 Cb -0.03 -1.52 -0.06 0.00 0.50 0.00 0.00 46.19 45.09 3k14 s LEU 155 CO -0.00 0.15 0.06 0.68 -1.32 0.00 0.00 176.35 175.92 3k14 s VAL 156 N 0.42 1.16 -0.04 1.68 -7.23 -0.34 -0.41 120.40 115.64 3k14 s VAL 156 Ca -0.13 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.02 3k14 s VAL 156 Cb -0.17 -2.78 0.03 0.00 0.56 0.00 0.00 36.38 34.02 3k14 s VAL 156 CO 0.06 -0.01 0.09 0.54 -0.31 0.00 0.00 175.10 175.47 3k14 s VAL 157 N -3.32 -0.04 -2.00 1.32 0.11 -0.02 -1.19 120.40 115.26 3k14 s VAL 157 Ca 0.36 0.14 0.20 0.00 -2.93 0.00 0.00 61.98 59.76 3k14 s VAL 157 Cb 0.09 -0.15 0.58 0.00 -1.53 0.00 0.00 36.38 35.36 3k14 s VAL 157 CO 0.15 0.06 1.60 -1.14 -3.33 0.00 0.00 175.10 172.44