#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dt4 s VAL 2 N 0.00 4.31 -0.04 3.17 1.01 -1.26 -4.89 120.40 122.70 2dt4 s VAL 2 Ca 0.00 1.64 0.09 0.00 0.00 0.00 0.00 61.98 63.70 2dt4 s VAL 2 Cb 0.00 -4.05 -0.13 0.00 0.00 0.00 0.00 36.38 32.20 2dt4 s VAL 2 CO 0.00 0.04 0.15 0.35 0.00 0.00 0.00 175.10 175.64 2dt4 n THR 3 N 4.40 0.19 -0.92 3.92 -2.24 -1.26 -4.89 114.28 113.47 2dt4 n THR 3 Ca 0.10 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 2dt4 n THR 3 Cb 0.47 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 2dt4 n THR 3 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dt4 n GLY 4 N 2.14 0.58 3.75 3.38 0.00 -1.26 -4.99 105.19 108.78 2dt4 n GLY 4 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 2dt4 n GLY 4 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2dt4 s MET 5 N -0.39 3.78 0.10 1.61 1.75 -1.26 -5.09 119.30 119.80 2dt4 s MET 5 Ca 0.00 -0.24 0.02 0.00 -1.25 0.00 0.00 55.69 54.22 2dt4 s MET 5 Cb 0.00 -3.24 -0.04 0.00 2.84 0.00 0.00 34.83 34.39 2dt4 s MET 5 CO 0.00 0.49 -0.06 -0.06 -0.65 0.00 0.00 175.02 174.74 2dt4 s PHE 6 N -0.22 0.89 0.30 4.11 0.08 -1.26 -4.51 117.98 117.36 2dt4 s PHE 6 Ca 0.10 -0.92 -0.00 0.00 0.12 0.00 0.00 56.93 56.22 2dt4 s PHE 6 Cb -0.12 -0.52 -0.04 0.00 -0.57 0.00 0.00 43.02 41.78 2dt4 s PHE 6 CO 0.01 -0.16 0.49 -1.54 -0.10 0.00 0.00 175.22 173.92 2dt4 s SER 7 N -3.04 6.34 -0.30 1.36 1.04 0.40 -4.88 113.70 114.61 2dt4 s SER 7 Ca 0.12 0.43 -0.26 0.00 0.48 0.00 0.00 55.95 56.73 2dt4 s SER 7 Cb 0.05 -2.02 0.01 0.00 0.10 0.00 0.00 66.02 64.16 2dt4 s SER 7 CO -0.05 -0.20 0.90 -0.76 0.98 0.00 0.00 173.24 174.11 2dt4 s LEU 8 N -3.96 4.04 0.00 2.42 1.43 -1.26 -1.01 118.68 120.34 2dt4 s LEU 8 Ca 0.39 0.84 0.00 0.00 -1.03 0.00 0.00 54.13 54.33 2dt4 s LEU 8 Cb -0.10 -3.26 0.00 0.00 0.03 0.00 0.00 46.19 42.86 2dt4 s LEU 8 CO 0.33 -0.70 0.00 0.61 0.23 0.00 0.00 176.35 176.82 2dt4 n GLY 9 N 4.03 1.30 3.77 -3.19 0.00 0.00 -4.90 105.19 106.19 2dt4 n GLY 9 Ca 0.07 -1.58 -0.37 0.00 0.00 0.00 0.00 46.02 44.14 2dt4 n GLY 9 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dt4 s ARG 10 N 1.82 3.50 -0.04 1.61 0.52 -1.26 -4.65 118.95 120.44 2dt4 s ARG 10 Ca 0.00 1.85 0.06 0.00 -0.52 0.00 0.00 55.73 57.12 2dt4 s ARG 10 Cb 0.00 -2.28 -0.01 0.00 0.52 0.00 0.00 34.95 33.18 2dt4 s ARG 10 CO 0.00 -0.78 -0.23 0.99 0.02 0.00 0.00 175.30 175.30 2dt4 s THR 11 N -1.53 1.85 0.02 0.02 2.01 -1.26 -0.64 115.64 116.11 2dt4 s THR 11 Ca 0.68 -0.97 0.00 0.00 0.31 0.00 0.00 61.69 61.71 2dt4 s THR 11 Cb -0.30 -1.56 -0.02 0.00 0.01 0.00 0.00 72.50 70.62 2dt4 s THR 11 CO 0.36 0.52 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.46 2dt4 s TYR 12 N -0.24 0.33 -0.12 4.92 2.02 0.07 -5.01 117.35 119.31 2dt4 s TYR 12 Ca 0.00 -0.53 -0.05 0.00 -0.37 0.00 0.00 57.07 56.13 2dt4 s TYR 12 Cb -0.12 -0.23 0.06 0.00 -0.40 0.00 0.00 41.96 41.28 2dt4 s TYR 12 CO 0.02 -0.17 0.25 -1.17 -1.57 0.00 0.00 175.55 172.91 2dt4 s LEU 13 N -1.48 -0.13 0.12 -1.29 2.96 -1.26 -1.26 118.68 116.35 2dt4 s LEU 13 Ca -0.15 0.56 -0.20 0.00 -0.22 0.00 0.00 54.13 54.12 2dt4 s LEU 13 Cb -0.10 0.68 0.05 0.00 0.50 0.00 0.00 46.19 47.32 2dt4 s LEU 13 CO -0.01 -0.22 0.50 0.72 -1.32 0.00 0.00 176.35 176.01 2dt4 s PHE 14 N 2.15 -0.37 -0.22 5.38 -0.12 -0.45 -5.01 117.98 119.35 2dt4 s PHE 14 Ca -0.01 0.15 -0.10 0.00 -0.05 0.00 0.00 56.93 56.92 2dt4 s PHE 14 Cb -0.12 0.38 -0.05 0.00 -0.63 0.00 0.00 43.02 42.61 2dt4 s PHE 14 CO -0.08 -0.75 0.15 0.50 -0.05 0.00 0.00 175.22 174.99 2dt4 s ARG 15 N -3.54 4.13 0.04 1.99 3.52 -1.26 -0.82 118.95 123.01 2dt4 s ARG 15 Ca 0.01 -0.24 -0.30 0.00 -0.13 0.00 0.00 55.73 55.06 2dt4 s ARG 15 Cb 0.00 -3.48 -0.04 0.00 -1.56 0.00 0.00 34.95 29.87 2dt4 s ARG 15 CO -0.11 0.17 0.99 0.08 -0.81 0.00 0.00 175.30 175.62 2dt4 s VAL 16 N 0.73 4.68 0.42 7.11 1.01 0.08 -5.00 120.40 129.43 2dt4 s VAL 16 Ca 0.08 2.02 -0.25 0.00 0.00 0.00 0.00 61.98 63.83 2dt4 s VAL 16 Cb -0.12 -4.30 -0.10 0.00 0.00 0.00 0.00 36.38 31.86 2dt4 s VAL 16 CO 0.01 0.21 1.21 -2.65 0.00 0.00 0.00 175.10 173.89 2dt4 n PRO 17 N 3.50 1.80 -1.62 2.72 -0.02 -1.26 -4.22 135.00 135.90 2dt4 n PRO 17 Ca 0.05 0.64 -0.46 0.00 -2.02 0.00 0.00 63.50 61.71 2dt4 n PRO 17 Cb 0.50 -2.30 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 2dt4 n PRO 17 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2dt4 n GLU 18 N 0.07 1.56 -0.05 -0.52 2.13 -1.26 -2.45 120.64 120.13 2dt4 n GLU 18 Ca 0.07 0.55 0.00 0.00 0.66 0.00 0.00 57.16 58.45 2dt4 n GLU 18 Cb 0.39 -2.09 0.00 0.00 0.27 0.00 0.00 31.44 30.01 2dt4 n GLU 18 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2dt4 n GLY 19 N 1.87 1.39 3.80 8.31 0.00 0.82 -5.01 105.19 116.36 2dt4 n GLY 19 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 2dt4 n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dt4 s GLU 20 N -0.52 2.87 -0.23 1.61 0.41 -1.03 -4.69 118.70 117.13 2dt4 s GLU 20 Ca 0.00 1.11 -0.17 0.00 -0.41 0.00 0.00 54.97 55.50 2dt4 s GLU 20 Cb 0.00 -1.98 -0.03 0.00 -1.78 0.00 0.00 34.13 30.34 2dt4 s GLU 20 CO 0.00 -1.16 0.45 -2.00 -0.49 0.00 0.00 175.26 172.06 2dt4 s GLU 21 N -4.66 4.13 0.16 1.61 -6.30 -1.26 0.04 118.70 112.41 2dt4 s GLU 21 Ca 0.61 0.26 -0.17 0.00 -2.50 0.00 0.00 54.97 53.17 2dt4 s GLU 21 Cb -0.16 -3.59 0.09 0.00 0.00 0.00 0.00 34.13 30.47 2dt4 s GLU 21 CO 0.49 -0.18 1.68 1.25 0.02 0.00 0.00 175.26 178.51 2dt4 h LEU 22 N 8.16 -0.32 -0.66 2.70 5.85 -1.30 -0.61 115.31 129.13 2dt4 h LEU 22 Ca -0.33 0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.47 2dt4 h LEU 22 Cb 1.15 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 42.38 2dt4 h LEU 22 CO 0.71 -0.11 0.29 -0.07 -0.34 0.00 0.00 178.44 178.92 2dt4 h LEU 23 N 0.02 0.88 -0.33 2.25 3.38 -1.94 -1.73 115.31 117.84 2dt4 h LEU 23 Ca 0.19 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2dt4 h LEU 23 Cb 0.28 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2dt4 h LEU 23 CO -0.38 0.79 0.21 0.74 0.09 0.00 0.00 178.44 179.89 2dt4 h THR 24 N 0.92 1.10 -0.51 0.22 2.02 -1.87 -1.10 112.91 113.68 2dt4 h THR 24 Ca 0.22 -0.20 -0.02 0.00 0.77 0.00 0.00 66.41 67.18 2dt4 h THR 24 Cb 0.16 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 2dt4 h THR 24 CO -0.02 0.09 0.23 0.22 0.37 0.00 0.00 175.52 176.41 2dt4 h TYR 25 N 0.44 0.75 -0.59 3.16 3.20 -0.87 -0.51 116.97 122.56 2dt4 h TYR 25 Ca 0.12 -0.05 -0.07 0.00 3.14 0.00 0.00 58.73 61.87 2dt4 h TYR 25 Cb -0.03 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 37.99 2dt4 h TYR 25 CO -0.05 0.61 0.09 0.82 -1.64 0.00 0.00 178.16 177.99 2dt4 h ILE 26 N 0.68 1.26 -0.19 1.81 2.04 -1.01 0.17 117.51 122.27 2dt4 h ILE 26 Ca 0.17 -0.99 0.02 0.00 1.00 0.00 0.00 64.86 65.06 2dt4 h ILE 26 Cb 0.15 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 2dt4 h ILE 26 CO -0.02 0.36 0.04 0.50 0.00 0.00 0.00 178.15 179.04 2dt4 h LYS 27 N 0.88 0.12 -0.55 2.37 3.64 -0.89 -1.47 116.57 120.68 2dt4 h LYS 27 Ca 0.18 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.47 2dt4 h LYS 27 Cb 0.42 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 2dt4 h LYS 27 CO 0.01 0.08 0.03 -0.91 -2.27 0.00 0.00 179.45 176.39 2dt4 h ASN 28 N 0.12 0.88 -0.04 4.20 2.35 -0.61 0.14 115.58 122.63 2dt4 h ASN 28 Ca 0.08 -0.22 0.03 0.00 -0.55 0.00 0.00 56.30 55.64 2dt4 h ASN 28 Cb 0.07 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.17 2dt4 h ASN 28 CO -0.11 0.93 -0.15 0.15 -1.65 0.00 0.00 177.43 176.60 2dt4 h PHE 29 N 0.85 -0.39 -0.60 1.19 3.04 -0.50 -1.27 116.94 119.26 2dt4 h PHE 29 Ca 0.16 0.02 -0.05 0.00 3.98 0.00 0.00 57.97 62.08 2dt4 h PHE 29 Cb 0.47 0.18 -0.03 0.00 2.56 0.00 0.00 35.95 39.13 2dt4 h PHE 29 CO 0.03 -0.22 0.17 0.00 -2.02 0.00 0.00 178.31 176.26 2dt4 h LYS 31 N 0.89 0.67 -0.47 0.00 1.57 -0.74 -0.14 116.57 118.36 2dt4 h LYS 31 Ca 0.20 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 2dt4 h LYS 31 Cb 0.29 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 2dt4 h LYS 31 CO -0.00 0.48 0.24 -0.22 -0.57 0.00 0.00 179.45 179.37 2dt4 h LYS 32 N 0.67 0.67 -0.00 3.15 1.63 -0.83 -2.89 116.57 118.97 2dt4 h LYS 32 Ca 0.18 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 59.89 2dt4 h LYS 32 Cb -0.03 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.48 2dt4 h LYS 32 CO -0.04 0.55 -0.06 0.39 -3.45 0.00 0.00 179.45 176.84 2dt4 n GLU 33 N -4.65 0.19 -3.02 1.90 -0.58 -0.28 -4.92 120.64 109.28 2dt4 n GLU 33 Ca 0.01 -0.02 -0.15 0.00 -0.42 0.00 0.00 57.16 56.58 2dt4 n GLU 33 Cb 0.10 -1.50 0.04 0.00 -0.57 0.00 0.00 31.44 29.51 2dt4 n GLU 33 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2dt4 n GLY 34 N 1.42 -0.07 3.73 0.62 0.00 -0.23 -5.01 105.19 105.66 2dt4 n GLY 34 Ca 0.10 -0.11 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 2dt4 n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dt4 s ILE 35 N -3.10 5.23 -0.16 -0.61 1.01 -0.26 -4.96 121.20 118.35 2dt4 s ILE 35 Ca 0.31 0.78 0.03 0.00 0.00 0.00 0.00 60.65 61.76 2dt4 s ILE 35 Cb -0.13 -3.73 -0.11 0.00 0.01 0.00 0.00 42.46 38.49 2dt4 s ILE 35 CO 0.38 0.37 -0.12 -0.62 0.00 0.00 0.00 174.94 174.95 2dt4 n GLU 36 N 3.52 0.64 -4.56 2.79 1.02 -1.26 -4.58 120.64 118.20 2dt4 n GLU 36 Ca -0.09 0.08 -0.23 0.00 -0.02 0.00 0.00 57.16 56.89 2dt4 n GLU 36 Cb 0.52 -1.32 -0.16 0.00 -0.02 0.00 0.00 31.44 30.45 2dt4 n GLU 36 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2dt4 s THR 37 N -2.32 1.05 0.25 2.62 2.01 -1.26 -3.09 115.64 114.90 2dt4 s THR 37 Ca -0.20 -0.49 -0.22 0.00 0.31 0.00 0.00 61.69 61.10 2dt4 s THR 37 Cb 0.05 -0.93 0.04 0.00 0.01 0.00 0.00 72.50 71.67 2dt4 s THR 37 CO 0.40 0.32 0.80 0.00 -0.69 0.00 0.00 174.62 175.44 2dt4 s ALA 38 N 0.27 -1.31 0.08 7.40 0.00 -0.46 -1.08 121.76 126.67 2dt4 s ALA 38 Ca -0.06 -0.23 0.09 0.00 0.00 0.00 0.00 51.96 51.76 2dt4 s ALA 38 Cb -0.11 0.78 -0.03 0.00 0.00 0.00 0.00 23.12 23.75 2dt4 s ALA 38 CO 0.02 -1.04 -0.23 0.96 0.00 0.00 0.00 175.76 175.47 2dt4 s ILE 39 N -3.59 1.88 0.09 0.00 -5.25 -0.39 -0.71 121.20 113.23 2dt4 s ILE 39 Ca 0.12 -1.48 0.04 0.00 -0.99 0.00 0.00 60.65 58.35 2dt4 s ILE 39 Cb -0.05 -1.66 -0.03 0.00 2.95 0.00 0.00 42.46 43.67 2dt4 s ILE 39 CO 0.06 0.10 -0.12 0.27 -1.79 0.00 0.00 174.94 173.47 2dt4 s ILE 40 N -0.99 1.03 -0.02 8.37 -4.36 -0.55 -1.04 121.20 123.64 2dt4 s ILE 40 Ca 0.09 -1.51 -0.19 0.00 -0.26 0.00 0.00 60.65 58.78 2dt4 s ILE 40 Cb -0.10 -1.24 0.04 0.00 1.25 0.00 0.00 42.46 42.41 2dt4 s ILE 40 CO 0.04 -0.42 0.41 0.54 0.24 0.00 0.00 174.94 175.75 2dt4 s ASN 41 N -2.16 -0.31 0.00 4.36 2.20 -0.48 -1.91 114.94 116.64 2dt4 s ASN 41 Ca 0.03 0.24 -0.28 0.00 -0.94 0.00 0.00 52.86 51.90 2dt4 s ASN 41 Cb -0.06 0.37 0.10 0.00 -2.00 0.00 0.00 41.25 39.66 2dt4 s ASN 41 CO 0.01 -0.50 1.27 -0.83 -2.94 0.00 0.00 177.10 174.11 2dt4 s GLY 42 N -1.32 -0.19 0.22 0.45 0.00 -0.55 -0.55 107.32 105.37 2dt4 s GLY 42 Ca -0.13 0.19 -0.02 0.00 0.00 0.00 0.00 44.72 44.76 2dt4 s GLY 42 CO 0.05 3.80 0.20 -0.26 0.00 0.00 0.00 173.10 176.90 2dt4 s ILE 43 N -2.15 0.00 0.00 0.90 -4.36 -0.89 -1.16 121.20 113.54 2dt4 s ILE 43 Ca 0.24 -1.90 0.00 0.00 -0.26 0.00 0.00 60.65 58.74 2dt4 s ILE 43 Cb 0.01 -2.46 0.00 0.00 1.25 0.00 0.00 42.46 41.26 2dt4 s ILE 43 CO -0.01 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.78 2dt4 n GLY 44 N -0.32 -0.06 3.02 6.27 0.00 -0.92 -0.54 105.19 112.64 2dt4 n GLY 44 Ca 0.02 -0.69 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 2dt4 n GLY 44 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dt4 s THR 45 N -2.43 -0.03 0.14 2.61 2.01 0.67 -0.29 115.64 118.32 2dt4 s THR 45 Ca 0.00 0.12 0.07 0.00 0.31 0.00 0.00 61.69 62.19 2dt4 s THR 45 Cb 0.00 -0.32 -0.04 0.00 0.01 0.00 0.00 72.50 72.15 2dt4 s THR 45 CO 0.00 0.05 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.17 2dt4 s LEU 46 N 0.95 3.18 -0.09 4.42 1.43 -0.46 -0.69 118.68 127.43 2dt4 s LEU 46 Ca -0.07 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 52.64 2dt4 s LEU 46 Cb -0.08 -1.90 -0.02 0.00 0.03 0.00 0.00 46.19 44.22 2dt4 s LEU 46 CO -0.06 0.13 -0.11 -0.54 0.23 0.00 0.00 176.35 176.00 2dt4 s LYS 47 N -2.62 2.95 -1.45 1.70 1.02 0.54 -0.91 119.74 120.97 2dt4 s LYS 47 Ca 0.25 -0.65 -0.01 0.00 0.02 0.00 0.00 55.97 55.58 2dt4 s LYS 47 Cb -0.10 -2.55 0.01 0.00 -0.52 0.00 0.00 37.83 34.66 2dt4 s LYS 47 CO 0.16 0.46 0.35 0.09 -0.92 0.00 0.00 175.35 175.50 2dt4 n ASN 48 N 2.81 -0.21 -4.77 2.83 3.02 -0.21 -2.75 115.26 115.99 2dt4 n ASN 48 Ca -0.18 -1.06 -0.38 0.00 -0.03 0.00 0.00 54.58 52.93 2dt4 n ASN 48 Cb 0.53 -2.75 -0.00 0.00 -0.61 0.00 0.00 39.78 36.95 2dt4 n ASN 48 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2dt4 s PRO 49 N -6.74 3.85 -0.16 3.52 0.04 -1.25 -4.65 135.00 129.61 2dt4 s PRO 49 Ca 0.04 2.00 -0.04 0.00 0.04 0.00 0.00 61.00 63.05 2dt4 s PRO 49 Cb -0.02 -2.60 -0.03 0.00 0.04 0.00 0.00 34.50 31.89 2dt4 s PRO 49 CO 0.91 -0.54 -0.04 0.15 0.04 0.00 0.00 177.00 177.52 2dt4 s LYS 50 N -2.43 3.66 0.26 4.56 1.02 0.25 -0.79 119.74 126.27 2dt4 s LYS 50 Ca 0.60 -0.52 0.11 0.00 0.02 0.00 0.00 55.97 56.17 2dt4 s LYS 50 Cb -0.34 -2.92 -0.05 0.00 -0.52 0.00 0.00 37.83 34.00 2dt4 s LYS 50 CO 0.43 0.22 -0.12 0.96 -0.92 0.00 0.00 175.35 175.93 2dt4 s ILE 51 N 0.41 2.91 0.01 2.17 -4.36 -0.63 -1.10 121.20 120.62 2dt4 s ILE 51 Ca -0.04 -2.14 0.05 0.00 -0.26 0.00 0.00 60.65 58.26 2dt4 s ILE 51 Cb -0.14 -2.53 -0.02 0.00 1.25 0.00 0.00 42.46 41.02 2dt4 s ILE 51 CO 0.03 -0.36 -0.16 -0.83 0.24 0.00 0.00 174.94 173.87 2dt4 s GLY 52 N -3.49 0.80 -0.17 6.27 0.00 0.87 -0.35 107.32 111.27 2dt4 s GLY 52 Ca 0.30 -0.75 0.01 0.00 0.00 0.00 0.00 44.72 44.28 2dt4 s GLY 52 CO 0.17 -0.67 -0.19 -0.47 0.00 0.00 0.00 173.10 171.94 2dt4 s TYR 53 N -0.55 2.62 0.15 1.90 5.04 -0.49 -1.06 117.35 124.97 2dt4 s TYR 53 Ca 0.05 -1.51 -0.30 0.00 -2.44 0.00 0.00 57.07 52.87 2dt4 s TYR 53 Cb -0.07 -1.83 -0.07 0.00 0.35 0.00 0.00 41.96 40.34 2dt4 s TYR 53 CO 0.00 -0.75 1.11 0.12 -1.34 0.00 0.00 175.55 174.69 2dt4 s PHE 54 N 1.26 3.57 -0.45 4.97 5.36 -1.26 -0.51 117.98 130.91 2dt4 s PHE 54 Ca 0.03 1.56 -0.10 0.00 -0.96 0.00 0.00 56.93 57.46 2dt4 s PHE 54 Cb -0.13 -3.29 0.10 0.00 -0.34 0.00 0.00 43.02 39.36 2dt4 s PHE 54 CO -0.11 -0.68 0.32 -0.51 -1.46 0.00 0.00 175.22 172.78 2dt4 s LEU 55 N -0.10 5.49 0.22 6.12 1.43 -0.03 -4.91 118.68 126.90 2dt4 s LEU 55 Ca 0.51 -1.69 -0.08 0.00 -1.03 0.00 0.00 54.13 51.84 2dt4 s LEU 55 Cb -0.29 -2.03 0.18 0.00 0.03 0.00 0.00 46.19 44.08 2dt4 s LEU 55 CO 0.34 -0.63 1.83 -0.08 0.23 0.00 0.00 176.35 178.03 2dt4 h GLU 56 N 8.48 1.16 -0.32 1.70 4.81 -1.94 0.82 114.58 129.29 2dt4 h GLU 56 Ca -0.23 -0.15 -0.07 0.00 -0.13 0.00 0.00 59.36 58.78 2dt4 h GLU 56 Cb 1.08 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 30.22 2dt4 h GLU 56 CO 0.83 0.87 -0.10 0.93 -0.73 0.00 0.00 179.01 180.80 2dt4 h GLU 57 N 1.16 0.55 -0.00 1.92 5.08 -1.95 -2.76 114.58 118.58 2dt4 h GLU 57 Ca 0.29 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2dt4 h GLU 57 Cb 0.05 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2dt4 h GLU 57 CO -0.04 0.65 -0.47 1.63 -1.00 0.00 0.00 179.01 179.77 2dt4 n LYS 58 N -4.21 0.05 -3.92 2.33 5.02 -0.84 -4.97 118.16 111.63 2dt4 n LYS 58 Ca 0.01 -0.03 -0.30 0.00 -2.02 0.00 0.00 58.31 55.97 2dt4 n LYS 58 Cb 0.32 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.86 2dt4 n LYS 58 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2dt4 n LYS 59 N -1.45 -5.56 -3.77 1.97 5.02 0.22 -4.97 118.16 109.62 2dt4 n LYS 59 Ca 0.06 0.60 -0.09 0.00 -2.02 0.00 0.00 58.31 56.86 2dt4 n LYS 59 Cb 0.34 -5.50 -0.03 0.00 -0.02 0.00 0.00 35.03 29.82 2dt4 n LYS 59 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2dt4 s GLU 60 N -6.62 1.48 0.13 1.97 -1.05 -1.17 -4.82 118.70 108.61 2dt4 s GLU 60 Ca 0.67 -0.91 -0.18 0.00 -0.15 0.00 0.00 54.97 54.40 2dt4 s GLU 60 Cb -0.33 0.54 -0.07 0.00 -0.44 0.00 0.00 34.13 33.82 2dt4 s GLU 60 CO 0.83 -0.64 0.60 0.71 0.95 0.00 0.00 175.26 177.71 2dt4 s TYR 61 N -3.89 3.71 -0.15 4.83 2.02 -1.26 -0.85 117.35 121.75 2dt4 s TYR 61 Ca 0.11 1.23 -0.23 0.00 -0.37 0.00 0.00 57.07 57.81 2dt4 s TYR 61 Cb -0.02 -2.48 -0.02 0.00 -0.40 0.00 0.00 41.96 39.03 2dt4 s TYR 61 CO -0.00 0.49 0.72 0.21 -1.57 0.00 0.00 175.55 175.39 2dt4 s LYS 62 N -1.56 4.30 -0.22 -0.62 2.20 0.33 -4.89 119.74 119.28 2dt4 s LYS 62 Ca 0.35 0.83 -0.07 0.00 -0.36 0.00 0.00 55.97 56.71 2dt4 s LYS 62 Cb -0.18 -3.54 -0.04 0.00 -1.51 0.00 0.00 37.83 32.57 2dt4 s LYS 62 CO 0.20 -0.19 0.07 0.08 -0.36 0.00 0.00 175.35 175.15 2dt4 s VAL 63 N 1.69 4.55 -0.35 4.02 1.01 -1.26 -1.40 120.40 128.66 2dt4 s VAL 63 Ca 0.34 -0.11 -0.06 0.00 0.00 0.00 0.00 61.98 62.16 2dt4 s VAL 63 Cb -0.17 -3.09 0.05 0.00 0.00 0.00 0.00 36.38 33.18 2dt4 s VAL 63 CO 0.13 0.39 0.11 -0.63 0.00 0.00 0.00 175.10 175.11 2dt4 s ILE 64 N 1.01 3.67 -0.41 2.22 1.01 0.53 -4.98 121.20 124.24 2dt4 s ILE 64 Ca 0.04 -1.28 -0.25 0.00 0.00 0.00 0.00 60.65 59.17 2dt4 s ILE 64 Cb -0.14 -3.13 0.02 0.00 0.01 0.00 0.00 42.46 39.21 2dt4 s ILE 64 CO 0.03 -0.24 0.87 -2.16 0.00 0.00 0.00 174.94 173.43 2dt4 s PRO 65 N 1.36 3.64 0.52 2.79 0.04 -1.26 -1.60 135.00 140.49 2dt4 s PRO 65 Ca -0.01 0.25 -0.04 0.00 0.04 0.00 0.00 61.00 61.24 2dt4 s PRO 65 Cb -0.20 -3.87 -0.01 0.00 0.04 0.00 0.00 34.50 30.46 2dt4 s PRO 65 CO 0.02 -1.05 0.82 -0.51 0.04 0.00 0.00 177.00 176.31 2dt4 s LEU 66 N 3.45 3.46 0.01 -3.56 1.43 0.03 -5.00 118.68 118.49 2dt4 s LEU 66 Ca 0.35 0.71 0.06 0.00 -1.03 0.00 0.00 54.13 54.22 2dt4 s LEU 66 Cb -0.12 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.49 2dt4 s LEU 66 CO 0.22 -0.82 -0.17 -0.54 0.23 0.00 0.00 176.35 175.27 2dt4 s LYS 67 N -4.82 1.29 0.90 1.70 1.02 -1.26 -3.90 119.74 114.67 2dt4 s LYS 67 Ca 0.50 -0.71 0.00 0.00 0.02 0.00 0.00 55.97 55.78 2dt4 s LYS 67 Cb -0.10 -1.29 0.00 0.00 -0.52 0.00 0.00 37.83 35.92 2dt4 s LYS 67 CO 0.44 0.34 0.00 0.41 -0.92 0.00 0.00 175.35 175.62 2dt4 n GLY 68 N 2.33 -1.96 3.72 -3.33 0.00 -1.26 -4.76 105.19 99.93 2dt4 n GLY 68 Ca -0.16 -1.54 -0.41 0.00 0.00 0.00 0.00 46.02 43.91 2dt4 n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dt4 s SER 69 N -4.00 7.19 -0.04 1.61 0.01 -1.26 -1.04 113.70 116.17 2dt4 s SER 69 Ca 0.00 1.43 0.05 0.00 1.31 0.00 0.00 55.95 58.75 2dt4 s SER 69 Cb 0.00 -2.49 -0.01 0.00 0.21 0.00 0.00 66.02 63.74 2dt4 s SER 69 CO 0.00 -0.13 -0.20 -0.31 0.41 0.00 0.00 173.24 173.01 2dt4 s TYR 70 N 0.62 1.96 0.11 2.43 1.51 -0.09 -4.75 117.35 119.13 2dt4 s TYR 70 Ca 0.43 -0.52 -0.31 0.00 -1.01 0.00 0.00 57.07 55.66 2dt4 s TYR 70 Cb -0.20 -1.29 -0.09 0.00 -0.11 0.00 0.00 41.96 40.27 2dt4 s TYR 70 CO 0.23 -0.15 1.57 -1.21 -1.11 0.00 0.00 175.55 174.89 2dt4 s GLU 71 N -0.15 4.22 -0.89 -0.62 0.41 0.01 -1.35 118.70 120.32 2dt4 s GLU 71 Ca -0.01 2.29 -0.21 0.00 -0.41 0.00 0.00 54.97 56.63 2dt4 s GLU 71 Cb -0.11 -3.38 0.09 0.00 -1.78 0.00 0.00 34.13 28.95 2dt4 s GLU 71 CO 0.02 -0.64 1.20 -1.17 -0.49 0.00 0.00 175.26 174.18 2dt4 s LEU 72 N 1.84 4.35 0.08 1.80 0.20 0.60 -0.17 118.68 127.38 2dt4 s LEU 72 Ca 0.71 -1.57 -0.14 0.00 0.69 0.00 0.00 54.13 53.82 2dt4 s LEU 72 Cb -0.41 -2.46 -0.22 0.00 -0.43 0.00 0.00 46.19 42.68 2dt4 s LEU 72 CO 0.31 -1.32 1.21 0.40 -0.29 0.00 0.00 176.35 176.67 2dt4 h ILE 73 N 6.16 1.28 -2.99 6.68 2.04 -1.32 -2.43 117.51 126.93 2dt4 h ILE 73 Ca 0.06 -2.19 -0.14 0.00 1.00 0.00 0.00 64.86 63.58 2dt4 h ILE 73 Cb 1.03 2.30 -0.24 0.00 -0.74 0.00 0.00 36.82 39.17 2dt4 h ILE 73 CO 1.23 0.68 -0.34 -0.94 0.00 0.00 0.00 178.15 178.78 2dt4 s SER 74 N -7.26 -0.31 -0.06 1.72 1.04 -1.13 -4.81 113.70 102.89 2dt4 s SER 74 Ca -0.10 0.57 0.02 0.00 0.48 0.00 0.00 55.95 56.92 2dt4 s SER 74 Cb 0.07 0.61 0.02 0.00 0.10 0.00 0.00 66.02 66.82 2dt4 s SER 74 CO 0.92 -0.14 -0.09 -0.22 0.98 0.00 0.00 173.24 174.68 2dt4 s LEU 75 N 0.00 1.54 -0.01 2.42 0.20 -0.31 -1.51 118.68 121.01 2dt4 s LEU 75 Ca -0.01 -0.24 0.00 0.00 0.69 0.00 0.00 54.13 54.57 2dt4 s LEU 75 Cb -0.03 -0.69 0.01 0.00 -0.43 0.00 0.00 46.19 45.06 2dt4 s LEU 75 CO 0.01 0.00 0.01 -0.63 -0.29 0.00 0.00 176.35 175.45 2dt4 s ILE 76 N 0.74 0.02 0.00 6.68 1.01 -0.96 -1.49 121.20 127.20 2dt4 s ILE 76 Ca -0.14 0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.60 2dt4 s ILE 76 Cb -0.15 -0.08 0.00 0.00 0.01 0.00 0.00 42.46 42.23 2dt4 s ILE 76 CO 0.02 0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.63 2dt4 n GLY 77 N 3.63 0.88 3.39 6.18 0.00 -0.80 -1.63 105.19 116.84 2dt4 n GLY 77 Ca -0.20 -0.60 -0.10 0.00 0.00 0.00 0.00 46.02 45.12 2dt4 n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dt4 s ASN 78 N 2.00 -0.13 -0.07 1.61 2.20 0.09 -1.48 114.94 119.15 2dt4 s ASN 78 Ca 0.00 -0.57 0.05 0.00 -0.94 0.00 0.00 52.86 51.40 2dt4 s ASN 78 Cb 0.00 0.49 -0.01 0.00 -2.00 0.00 0.00 41.25 39.73 2dt4 s ASN 78 CO 0.00 -0.93 -0.24 -0.69 -2.94 0.00 0.00 177.10 172.30 2dt4 s VAL 79 N -3.88 2.16 0.11 3.54 1.01 0.11 -1.14 120.40 122.30 2dt4 s VAL 79 Ca 0.10 -1.02 -0.21 0.00 0.00 0.00 0.00 61.98 60.85 2dt4 s VAL 79 Cb 0.01 -1.79 0.05 0.00 0.00 0.00 0.00 36.38 34.65 2dt4 s VAL 79 CO -0.05 0.57 0.51 -0.94 0.00 0.00 0.00 175.10 175.19 2dt4 s SER 80 N -0.09 -0.42 0.23 3.32 1.04 -0.61 -1.35 113.70 115.82 2dt4 s SER 80 Ca -0.05 -0.04 -0.31 0.00 0.48 0.00 0.00 55.95 56.03 2dt4 s SER 80 Cb -0.14 0.52 -0.11 0.00 0.10 0.00 0.00 66.02 66.39 2dt4 s SER 80 CO 0.04 -0.85 1.56 -0.22 0.98 0.00 0.00 173.24 174.76 2dt4 s LEU 81 N -2.49 4.37 -0.07 2.42 2.96 -1.18 -0.83 118.68 123.86 2dt4 s LEU 81 Ca -0.01 2.75 -0.03 0.00 -0.22 0.00 0.00 54.13 56.63 2dt4 s LEU 81 Cb 0.00 -3.61 0.04 0.00 0.50 0.00 0.00 46.19 43.12 2dt4 s LEU 81 CO -0.09 -0.83 0.14 -0.75 -1.32 0.00 0.00 176.35 173.50 2dt4 s LYS 82 N 0.31 0.04 -1.68 1.98 2.20 -0.22 -0.90 119.74 121.48 2dt4 s LYS 82 Ca 0.66 0.46 -0.18 0.00 -0.36 0.00 0.00 55.97 56.55 2dt4 s LYS 82 Cb -0.45 -0.25 0.15 0.00 -1.51 0.00 0.00 37.83 35.76 2dt4 s LYS 82 CO 0.39 -0.25 0.83 -0.25 -0.36 0.00 0.00 175.35 175.71 2dt4 n ASP 83 N 4.86 -3.60 0.00 1.43 8.00 -1.26 -2.03 116.55 123.94 2dt4 n ASP 83 Ca -0.14 -0.97 0.00 0.00 0.71 0.00 0.00 54.79 54.39 2dt4 n ASP 83 Cb 0.50 -2.96 0.00 0.00 -0.02 0.00 0.00 41.12 38.64 2dt4 n ASP 83 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dt4 n GLY 84 N -1.45 0.84 3.13 0.44 0.00 -1.26 -5.03 105.19 101.87 2dt4 n GLY 84 Ca 0.07 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.93 2dt4 n GLY 84 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dt4 s GLU 85 N -0.52 0.72 0.32 1.61 0.41 -0.86 -5.10 118.70 115.28 2dt4 s GLU 85 Ca 0.00 -0.93 -0.29 0.00 -0.41 0.00 0.00 54.97 53.34 2dt4 s GLU 85 Cb 0.00 -0.58 -0.11 0.00 -1.78 0.00 0.00 34.13 31.66 2dt4 s GLU 85 CO 0.00 0.12 1.47 -1.25 -0.49 0.00 0.00 175.26 175.11 2dt4 s PRO 86 N -1.89 4.19 -0.05 0.39 0.04 -1.26 -1.05 135.00 135.36 2dt4 s PRO 86 Ca -0.03 2.46 0.02 0.00 0.04 0.00 0.00 61.00 63.48 2dt4 s PRO 86 Cb -0.09 -3.03 0.02 0.00 0.04 0.00 0.00 34.50 31.44 2dt4 s PRO 86 CO 0.01 -0.48 -0.08 0.12 0.04 0.00 0.00 177.00 176.62 2dt4 s PHE 87 N -0.62 1.04 -0.23 0.56 5.36 -0.01 -4.86 117.98 119.22 2dt4 s PHE 87 Ca 0.56 -0.34 -0.09 0.00 -0.96 0.00 0.00 56.93 56.10 2dt4 s PHE 87 Cb -0.45 -0.83 -0.04 0.00 -0.34 0.00 0.00 43.02 41.36 2dt4 s PHE 87 CO 0.54 -0.22 0.12 0.08 -1.46 0.00 0.00 175.22 174.28 2dt4 s VAL 88 N 0.78 5.06 -0.15 3.12 1.01 -1.26 -1.57 120.40 127.40 2dt4 s VAL 88 Ca -0.13 0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.93 2dt4 s VAL 88 Cb -0.15 -3.35 0.03 0.00 0.00 0.00 0.00 36.38 32.91 2dt4 s VAL 88 CO 0.02 0.37 -0.12 -2.28 0.00 0.00 0.00 175.10 173.08 2dt4 s HIS 89 N 1.02 2.04 0.05 5.22 2.46 -0.29 -5.01 115.29 120.76 2dt4 s HIS 89 Ca 0.06 -1.16 -0.06 0.00 0.47 0.00 0.00 55.06 54.37 2dt4 s HIS 89 Cb -0.14 -1.52 -0.01 0.00 -0.13 0.00 0.00 32.58 30.79 2dt4 s HIS 89 CO 0.04 -0.65 0.11 0.00 -2.47 0.00 0.00 174.74 171.77 2dt4 s ALA 90 N 1.53 -0.08 0.10 1.58 0.00 -1.26 -0.74 121.76 122.90 2dt4 s ALA 90 Ca 0.04 -0.58 0.10 0.00 0.00 0.00 0.00 51.96 51.52 2dt4 s ALA 90 Cb -0.13 0.28 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 2dt4 s ALA 90 CO -0.10 -0.35 -0.25 -1.01 0.00 0.00 0.00 175.76 174.05 2dt4 s HIS 91 N -2.86 2.35 0.08 0.00 3.76 -0.65 -0.65 115.29 117.32 2dt4 s HIS 91 Ca -0.03 -0.37 0.04 0.00 -0.15 0.00 0.00 55.06 54.55 2dt4 s HIS 91 Cb 0.00 -1.31 -0.03 0.00 1.11 0.00 0.00 32.58 32.35 2dt4 s HIS 91 CO -0.06 0.28 -0.11 0.14 -0.85 0.00 0.00 174.74 174.15 2dt4 s VAL 92 N -0.99 0.95 -0.09 -0.90 -7.23 -0.07 -2.27 120.40 109.80 2dt4 s VAL 92 Ca 0.14 -1.47 0.04 0.00 -1.81 0.00 0.00 61.98 58.88 2dt4 s VAL 92 Cb -0.10 -1.17 -0.00 0.00 0.56 0.00 0.00 36.38 35.66 2dt4 s VAL 92 CO 0.05 -0.43 -0.23 -0.94 -0.31 0.00 0.00 175.10 173.24 2dt4 s SER 93 N -2.12 2.93 -0.07 4.85 1.04 -0.57 -1.93 113.70 117.83 2dt4 s SER 93 Ca 0.01 -0.52 0.03 0.00 0.48 0.00 0.00 55.95 55.95 2dt4 s SER 93 Cb -0.06 -1.20 0.01 0.00 0.10 0.00 0.00 66.02 64.87 2dt4 s SER 93 CO 0.01 0.17 -0.15 -0.76 0.98 0.00 0.00 173.24 173.48 2dt4 s LEU 94 N 0.25 1.77 -0.17 2.42 1.43 0.11 -0.98 118.68 123.51 2dt4 s LEU 94 Ca -0.15 -0.37 -0.08 0.00 -1.03 0.00 0.00 54.13 52.51 2dt4 s LEU 94 Cb -0.17 -0.98 -0.04 0.00 0.03 0.00 0.00 46.19 45.03 2dt4 s LEU 94 CO 0.07 0.07 0.10 -0.83 0.23 0.00 0.00 176.35 175.99 2dt4 s GLY 95 N 0.56 2.01 0.72 -3.19 0.00 0.76 -0.71 107.32 107.47 2dt4 s GLY 95 Ca -0.15 -0.70 0.01 0.00 0.00 0.00 0.00 44.72 43.87 2dt4 s GLY 95 CO 0.05 -0.04 0.99 0.54 0.00 0.00 0.00 173.10 174.65 2dt4 s ASN 96 N -0.01 4.32 0.34 1.64 6.03 -0.38 -0.81 114.94 126.07 2dt4 s ASN 96 Ca 0.08 -0.52 0.25 0.00 -1.03 0.00 0.00 52.86 51.65 2dt4 s ASN 96 Cb -0.12 0.19 1.19 0.00 -3.03 0.00 0.00 41.25 39.49 2dt4 s ASN 96 CO 0.00 -1.90 1.75 1.05 -2.03 0.00 0.00 177.10 175.98 2dt4 h GLU 97 N -0.50 0.00 -0.31 3.55 4.11 -1.89 0.15 114.58 119.69 2dt4 h GLU 97 Ca -0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.09 2dt4 h GLU 97 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2dt4 h GLU 97 CO 0.38 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.85 2dt4 n GLU 98 N -2.37 2.48 -0.97 1.06 -0.58 -1.26 -4.97 120.64 114.04 2dt4 n GLU 98 Ca 0.00 -2.22 0.00 0.00 -0.42 0.00 0.00 57.16 54.53 2dt4 n GLU 98 Cb 0.14 -1.51 0.00 0.00 -0.57 0.00 0.00 31.44 29.50 2dt4 n GLU 98 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2dt4 n GLY 99 N 1.48 0.49 3.80 0.62 0.00 0.04 -5.04 105.19 106.58 2dt4 n GLY 99 Ca 0.18 -0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 2dt4 n GLY 99 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dt4 s ILE 100 N -2.00 4.42 -0.14 -0.61 -1.09 -1.26 -4.77 121.20 115.75 2dt4 s ILE 100 Ca 0.00 1.51 -0.02 0.00 -2.23 0.00 0.00 60.65 59.90 2dt4 s ILE 100 Cb 0.00 -3.90 -0.02 0.00 -1.58 0.00 0.00 42.46 36.95 2dt4 s ILE 100 CO 0.00 0.15 -0.07 -0.69 -1.23 0.00 0.00 174.94 173.10 2dt4 s VAL 101 N -1.60 3.65 0.30 2.92 1.01 -1.26 -1.24 120.40 124.17 2dt4 s VAL 101 Ca 0.47 -0.45 0.09 0.00 0.00 0.00 0.00 61.98 62.09 2dt4 s VAL 101 Cb -0.17 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 2dt4 s VAL 101 CO 0.22 0.51 0.03 -0.36 0.00 0.00 0.00 175.10 175.50 2dt4 s PHE 102 N 0.22 2.66 0.00 5.22 0.40 0.11 -4.94 117.98 121.64 2dt4 s PHE 102 Ca -0.04 -0.30 0.00 0.00 -0.60 0.00 0.00 56.93 55.99 2dt4 s PHE 102 Cb -0.14 -1.34 0.00 0.00 0.51 0.00 0.00 43.02 42.04 2dt4 s PHE 102 CO 0.04 0.53 0.00 0.41 0.70 0.00 0.00 175.22 176.90 2dt4 n GLY 103 N -0.96 -0.51 0.00 4.36 0.00 -1.26 0.09 105.19 106.92 2dt4 n GLY 103 Ca -0.05 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.92 2dt4 n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dt4 n GLY 104 N -0.29 -0.50 3.76 -0.02 0.00 -0.81 -4.88 105.19 102.45 2dt4 n GLY 104 Ca 0.00 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.61 2dt4 n GLY 104 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2dt4 s HIS 105 N -3.28 2.97 -0.32 1.61 5.65 -0.23 -0.89 115.29 120.80 2dt4 s HIS 105 Ca 0.00 1.25 -0.26 0.00 0.25 0.00 0.00 55.06 56.30 2dt4 s HIS 105 Cb 0.00 -3.78 0.01 0.00 -1.18 0.00 0.00 32.58 27.63 2dt4 s HIS 105 CO 0.00 -2.30 0.91 -1.17 -0.65 0.00 0.00 174.74 171.53 2dt4 s LEU 106 N -1.36 4.03 -0.16 8.88 2.96 0.17 -0.09 118.68 133.11 2dt4 s LEU 106 Ca 0.53 0.80 -0.19 0.00 -0.22 0.00 0.00 54.13 55.05 2dt4 s LEU 106 Cb -0.41 -3.27 -0.23 0.00 0.50 0.00 0.00 46.19 42.78 2dt4 s LEU 106 CO 0.51 -0.74 0.39 0.58 -1.32 0.00 0.00 176.35 175.77 2dt4 h VAL 107 N 5.67 1.01 -2.40 1.68 2.07 -1.43 -3.44 116.25 119.41 2dt4 h VAL 107 Ca -0.23 -2.28 0.08 0.00 0.82 0.00 0.00 66.70 65.09 2dt4 h VAL 107 Cb 1.08 2.52 -0.15 0.00 -1.52 0.00 0.00 31.29 33.22 2dt4 h VAL 107 CO 0.95 0.52 0.43 -1.83 0.02 0.00 0.00 177.57 177.66 2dt4 s GLU 108 N -2.40 0.92 -0.29 1.57 -1.05 -1.08 -4.99 118.70 111.38 2dt4 s GLU 108 Ca -0.25 -0.31 -0.17 0.00 -0.15 0.00 0.00 54.97 54.10 2dt4 s GLU 108 Cb 0.05 0.42 0.12 0.00 -0.44 0.00 0.00 34.13 34.28 2dt4 s GLU 108 CO 0.67 -0.40 0.89 0.20 0.95 0.00 0.00 175.26 177.58 2dt4 s GLY 109 N -2.45 -0.21 -0.02 -3.83 0.00 -1.26 -0.58 107.32 98.96 2dt4 s GLY 109 Ca 0.03 2.87 -0.29 0.00 0.00 0.00 0.00 44.72 47.33 2dt4 s GLY 109 CO -0.09 2.46 0.95 1.85 0.00 0.00 0.00 173.10 178.27 2dt4 s GLU 110 N 1.31 4.52 -0.02 2.90 2.12 -1.11 -0.75 118.70 127.67 2dt4 s GLU 110 Ca -0.08 1.36 -0.30 0.00 0.36 0.00 0.00 54.97 56.31 2dt4 s GLU 110 Cb -0.04 -3.47 -0.03 0.00 0.26 0.00 0.00 34.13 30.85 2dt4 s GLU 110 CO -0.15 -0.08 1.02 0.08 -0.54 0.00 0.00 175.26 175.58 2dt4 s VAL 111 N 1.15 4.74 -0.16 3.70 1.01 0.11 -0.34 120.40 130.61 2dt4 s VAL 111 Ca 0.50 1.97 -0.14 0.00 0.00 0.00 0.00 61.98 64.32 2dt4 s VAL 111 Cb -0.20 -4.27 -0.05 0.00 0.00 0.00 0.00 36.38 31.86 2dt4 s VAL 111 CO 0.25 0.11 -0.26 0.33 0.00 0.00 0.00 175.10 175.53 2dt4 n PHE 112 N 4.23 0.48 -4.39 5.22 7.35 0.14 -0.13 117.46 130.36 2dt4 n PHE 112 Ca 0.07 0.21 -0.19 0.00 -0.76 0.00 0.00 57.45 56.77 2dt4 n PHE 112 Cb 0.50 -0.65 -0.15 0.00 0.35 0.00 0.00 39.48 39.53 2dt4 n PHE 112 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 2dt4 s VAL 113 N -2.57 0.75 -0.16 -2.13 1.01 -1.05 -4.04 120.40 112.22 2dt4 s VAL 113 Ca -0.22 -0.38 -0.06 0.00 0.00 0.00 0.00 61.98 61.32 2dt4 s VAL 113 Cb 0.03 -0.65 0.07 0.00 0.00 0.00 0.00 36.38 35.83 2dt4 s VAL 113 CO 0.33 0.22 0.33 0.00 0.00 0.00 0.00 175.10 175.98 2dt4 s ALA 114 N -0.03 -0.82 -0.38 5.51 0.00 -1.26 -0.24 121.76 124.55 2dt4 s ALA 114 Ca 0.01 1.20 -0.02 0.00 0.00 0.00 0.00 51.96 53.14 2dt4 s ALA 114 Cb -0.06 -1.11 0.09 0.00 0.00 0.00 0.00 23.12 22.04 2dt4 s ALA 114 CO -0.00 -0.64 0.15 -1.21 0.00 0.00 0.00 175.76 174.06 2dt4 s GLU 115 N 2.37 2.08 -0.09 0.00 2.02 0.29 -0.74 118.70 124.63 2dt4 s GLU 115 Ca -0.01 -1.68 -0.01 0.00 0.02 0.00 0.00 54.97 53.29 2dt4 s GLU 115 Cb -0.12 -3.47 -0.03 0.00 0.10 0.00 0.00 34.13 30.61 2dt4 s GLU 115 CO -0.10 -0.95 -0.04 0.42 0.02 0.00 0.00 175.26 174.60 2dt4 s ILE 116 N 1.16 3.93 -0.15 -1.63 -1.09 -0.00 -2.10 121.20 121.32 2dt4 s ILE 116 Ca 0.05 -0.38 -0.03 0.00 -2.23 0.00 0.00 60.65 58.05 2dt4 s ILE 116 Cb -0.22 -2.64 -0.03 0.00 -1.58 0.00 0.00 42.46 37.99 2dt4 s ILE 116 CO -0.03 0.58 -0.03 0.12 -1.23 0.00 0.00 174.94 174.34 2dt4 s PHE 117 N -0.58 3.03 -0.05 3.97 2.19 0.28 -1.34 117.98 125.49 2dt4 s PHE 117 Ca 0.09 -0.24 -0.00 0.00 0.33 0.00 0.00 56.93 57.11 2dt4 s PHE 117 Cb -0.12 -1.94 0.03 0.00 -1.31 0.00 0.00 43.02 39.68 2dt4 s PHE 117 CO 0.02 0.02 -0.01 -1.17 1.83 0.00 0.00 175.22 175.91 2dt4 s LEU 118 N 0.22 0.96 -0.23 6.12 0.20 -0.39 -1.38 118.68 124.18 2dt4 s LEU 118 Ca -0.02 -0.07 0.02 0.00 0.69 0.00 0.00 54.13 54.75 2dt4 s LEU 118 Cb -0.14 -0.37 0.05 0.00 -0.43 0.00 0.00 46.19 45.30 2dt4 s LEU 118 CO 0.03 -0.13 -0.13 -1.58 -0.29 0.00 0.00 176.35 174.25 2dt4 s GLN 119 N 1.38 2.36 0.38 1.98 2.00 -0.21 -0.75 119.66 126.80 2dt4 s GLN 119 Ca -0.04 -1.11 -0.26 0.00 -2.00 0.00 0.00 55.36 51.96 2dt4 s GLN 119 Cb -0.13 -2.71 -0.09 0.00 0.80 0.00 0.00 33.01 30.88 2dt4 s GLN 119 CO -0.02 -0.46 1.12 -2.00 -0.50 0.00 0.00 175.29 173.43 2dt4 s GLU 120 N 1.22 4.19 -0.02 1.67 2.12 0.18 -1.26 118.70 126.80 2dt4 s GLU 120 Ca -0.04 1.73 0.07 0.00 0.36 0.00 0.00 54.97 57.09 2dt4 s GLU 120 Cb -0.17 -2.72 -0.02 0.00 0.26 0.00 0.00 34.13 31.48 2dt4 s GLU 120 CO -0.08 -0.17 -0.24 -0.51 -0.54 0.00 0.00 175.26 173.73 2dt4 s LEU 121 N -2.36 2.04 -0.05 2.70 1.43 -0.24 -0.82 118.68 121.38 2dt4 s LEU 121 Ca 0.55 -0.44 0.06 0.00 -1.03 0.00 0.00 54.13 53.27 2dt4 s LEU 121 Cb -0.28 -1.24 -0.01 0.00 0.03 0.00 0.00 46.19 44.69 2dt4 s LEU 121 CO 0.35 0.28 -0.24 -0.54 0.23 0.00 0.00 176.35 176.44 2dt4 s LYS 122 N -0.49 2.36 0.00 1.70 -0.14 -0.18 -4.38 119.74 118.60 2dt4 s LYS 122 Ca 0.07 -0.86 0.00 0.00 -1.36 0.00 0.00 55.97 53.83 2dt4 s LYS 122 Cb -0.10 -2.03 0.00 0.00 -1.68 0.00 0.00 37.83 34.02 2dt4 s LYS 122 CO -0.00 0.38 0.00 0.41 -0.76 0.00 0.00 175.35 175.37 2dt4 n GLY 123 N 2.92 -0.40 3.66 -3.33 0.00 -1.26 -0.45 105.19 106.33 2dt4 n GLY 123 Ca -0.17 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 44.90 2dt4 n GLY 123 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2dt4 s GLU 124 N -2.00 0.84 0.49 1.61 -1.05 -1.26 -4.95 118.70 112.38 2dt4 s GLU 124 Ca 0.00 1.08 -0.23 0.00 -0.15 0.00 0.00 54.97 55.67 2dt4 s GLU 124 Cb 0.00 -1.74 -0.07 0.00 -0.44 0.00 0.00 34.13 31.88 2dt4 s GLU 124 CO 0.00 -2.60 1.31 0.15 0.95 0.00 0.00 175.26 175.07 2dt4 s LYS 125 N -4.75 3.50 -0.40 -4.83 1.02 -1.26 -4.99 119.74 108.04 2dt4 s LYS 125 Ca 0.65 2.14 0.05 0.00 0.02 0.00 0.00 55.97 58.83 2dt4 s LYS 125 Cb -0.21 -2.43 0.17 0.00 -0.52 0.00 0.00 37.83 34.83 2dt4 s LYS 125 CO 0.59 -0.87 0.47 -1.50 -0.92 0.00 0.00 175.35 173.12 2dt4 s ILE 126 N -1.34 -0.52 -0.03 2.17 2.07 -1.26 -5.03 121.20 117.26 2dt4 s ILE 126 Ca 0.66 -0.85 0.07 0.00 -1.41 0.00 0.00 60.65 59.12 2dt4 s ILE 126 Cb -0.38 -0.47 -0.02 0.00 0.13 0.00 0.00 42.46 41.72 2dt4 s ILE 126 CO 0.46 -0.43 -0.24 -0.70 -1.91 0.00 0.00 174.94 172.13 2dt4 s GLU 127 N 1.38 2.22 -0.21 3.50 2.12 -1.26 -3.84 118.70 122.61 2dt4 s GLU 127 Ca 0.19 -0.89 -0.28 0.00 0.36 0.00 0.00 54.97 54.35 2dt4 s GLU 127 Cb -0.10 -2.11 0.00 0.00 0.26 0.00 0.00 34.13 32.18 2dt4 s GLU 127 CO -0.05 0.55 0.99 1.03 -0.54 0.00 0.00 175.26 177.25 2dt4 s ARG 128 N -0.58 4.28 0.14 4.30 0.52 -0.08 -3.75 118.95 123.77 2dt4 s ARG 128 Ca 0.09 1.28 0.07 0.00 -0.52 0.00 0.00 55.73 56.65 2dt4 s ARG 128 Cb -0.10 -3.62 -0.04 0.00 0.52 0.00 0.00 34.95 31.71 2dt4 s ARG 128 CO -0.00 -0.54 -0.15 0.15 0.02 0.00 0.00 175.30 174.77 2dt4 s LYS 129 N 2.89 1.11 0.57 3.54 1.02 -0.41 -4.44 119.74 124.03 2dt4 s LYS 129 Ca 0.43 -1.31 -0.20 0.00 0.02 0.00 0.00 55.97 54.91 2dt4 s LYS 129 Cb -0.16 -1.04 -0.06 0.00 -0.52 0.00 0.00 37.83 36.06 2dt4 s LYS 129 CO 0.08 0.20 1.06 -2.30 -0.92 0.00 0.00 175.35 173.47 2dt4 n PRO 130 N 0.42 1.12 -4.25 -1.68 -0.02 -1.26 -1.15 135.00 128.18 2dt4 n PRO 130 Ca -0.14 0.42 -0.14 0.00 -2.02 0.00 0.00 63.50 61.62 2dt4 n PRO 130 Cb 0.57 -2.24 -0.10 0.00 -0.02 0.00 0.00 33.50 31.71 2dt4 n PRO 130 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2dt4 s THR 131 N -1.43 0.43 0.57 3.45 -4.23 -1.04 -4.84 115.64 108.54 2dt4 s THR 131 Ca 0.73 -1.98 0.26 0.00 -1.18 0.00 0.00 61.69 59.52 2dt4 s THR 131 Cb -0.44 -2.36 0.33 0.00 1.34 0.00 0.00 72.50 71.38 2dt4 s THR 131 CO 0.49 -0.22 2.22 0.07 -0.54 0.00 0.00 174.62 176.63 2dt4 h LYS 132 N 2.60 0.00 0.00 3.99 2.10 -1.96 -1.59 116.57 121.71 2dt4 h LYS 132 Ca -0.37 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.28 2dt4 h LYS 132 Cb 1.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 2dt4 h LYS 132 CO 0.60 0.01 0.00 1.88 -2.00 0.00 0.00 179.45 179.93 2dt4 h TYR 133 N 0.00 0.00 0.00 0.07 -1.99 -1.97 -3.46 116.97 109.62 2dt4 h TYR 133 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2dt4 h TYR 133 Cb 0.01 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.74 2dt4 h TYR 133 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.57 2dt4 n GLY 134 N 0.04 0.54 3.61 3.88 0.00 -0.60 -4.63 105.19 108.04 2dt4 n GLY 134 Ca 0.02 -0.38 -0.32 0.00 0.00 0.00 0.00 46.02 45.34 2dt4 n GLY 134 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dt4 s LEU 135 N 0.00 3.23 -0.39 0.99 1.43 -1.26 -4.86 118.68 117.82 2dt4 s LEU 135 Ca 0.00 -0.13 -0.21 0.00 -1.03 0.00 0.00 54.13 52.76 2dt4 s LEU 135 Cb 0.00 -1.86 0.01 0.00 0.03 0.00 0.00 46.19 44.37 2dt4 s LEU 135 CO 0.00 0.28 0.65 0.00 0.23 0.00 0.00 176.35 177.51 2dt4 s ALA 136 N -1.03 3.41 0.18 4.21 0.00 -1.26 -2.51 121.76 124.76 2dt4 s ALA 136 Ca 0.18 -0.96 0.06 0.00 0.00 0.00 0.00 51.96 51.24 2dt4 s ALA 136 Cb -0.11 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 2dt4 s ALA 136 CO 0.08 -1.53 -0.13 -0.51 0.00 0.00 0.00 175.76 173.68 2dt4 s LEU 137 N 2.80 2.53 0.84 0.00 1.43 -0.30 -4.63 118.68 121.36 2dt4 s LEU 137 Ca 0.25 -1.00 -0.11 0.00 -1.03 0.00 0.00 54.13 52.23 2dt4 s LEU 137 Cb -0.14 -0.55 0.09 0.00 0.03 0.00 0.00 46.19 45.62 2dt4 s LEU 137 CO 0.17 -0.22 1.09 0.26 0.23 0.00 0.00 176.35 177.88 2dt4 s TRP 138 N -3.01 2.61 0.14 0.29 0.51 -1.25 -1.28 118.94 116.95 2dt4 s TRP 138 Ca 0.19 1.21 -0.30 0.00 -2.12 0.00 0.00 56.10 55.07 2dt4 s TRP 138 Cb -0.00 -3.14 -0.08 0.00 -0.81 0.00 0.00 33.47 29.45 2dt4 s TRP 138 CO 0.04 -2.03 1.27 -2.00 -0.51 0.00 0.00 176.95 173.73 2dt4 s GLU 139 N -5.06 4.41 0.80 4.98 2.12 -1.26 -4.96 118.70 119.73 2dt4 s GLU 139 Ca 0.62 1.94 -0.10 0.00 0.36 0.00 0.00 54.97 57.79 2dt4 s GLU 139 Cb -0.16 -3.26 0.07 0.00 0.26 0.00 0.00 34.13 31.04 2dt4 s GLU 139 CO 0.55 -0.26 1.10 -1.83 -0.54 0.00 0.00 175.26 174.28 2dt4 s GLU 140 N 0.49 2.04 -0.50 4.30 -1.05 -1.26 -5.00 118.70 117.71 2dt4 s GLU 140 Ca 0.58 1.23 -0.14 0.00 -0.15 0.00 0.00 54.97 56.49 2dt4 s GLU 140 Cb -0.34 -1.87 0.11 0.00 -0.44 0.00 0.00 34.13 31.59 2dt4 s GLU 140 CO 0.33 -1.82 0.43 -1.17 0.95 0.00 0.00 175.26 173.99 2dt4 s LEU 141 N -6.04 5.89 -0.24 1.83 2.96 -1.26 -4.87 118.68 116.96 2dt4 s LEU 141 Ca 0.62 -1.65 -0.16 0.00 -0.22 0.00 0.00 54.13 52.72 2dt4 s LEU 141 Cb -0.18 -2.16 -0.04 0.00 0.50 0.00 0.00 46.19 44.31 2dt4 s LEU 141 CO 0.56 -0.75 0.43 -0.75 -1.32 0.00 0.00 176.35 174.52 2dt4 s LYS 142 N 1.57 4.10 0.00 1.98 2.47 -1.26 -5.16 119.74 123.44 2dt4 s LYS 142 Ca 0.04 0.20 0.21 0.00 -1.56 0.00 0.00 55.97 54.86 2dt4 s LYS 142 Cb -0.27 -3.60 1.27 0.00 -1.46 0.00 0.00 37.83 33.76 2dt4 s LYS 142 CO 0.04 -0.19 1.65 1.28 0.16 0.00 0.00 175.35 178.28