#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3con s THR 2 N 0.00 3.55 0.04 3.17 -4.23 -1.26 -4.85 115.64 112.06 3con s THR 2 Ca 0.00 1.27 0.08 0.00 -1.18 0.00 0.00 61.69 61.85 3con s THR 2 Cb 0.00 -3.69 -0.03 0.00 1.34 0.00 0.00 72.50 70.12 3con s THR 2 CO 0.00 0.08 -0.22 -1.61 -0.54 0.00 0.00 174.62 172.33 3con s GLU 3 N -2.29 1.52 -0.04 3.99 8.01 -1.26 -0.99 118.70 127.65 3con s GLU 3 Ca 0.56 -0.97 0.01 0.00 0.01 0.00 0.00 54.97 54.57 3con s GLU 3 Cb -0.26 -1.64 0.02 0.00 -4.31 0.00 0.00 34.13 27.95 3con s GLU 3 CO 0.32 0.42 -0.02 0.71 0.01 0.00 0.00 175.26 176.71 3con s TYR 4 N -0.78 0.48 -0.40 1.61 2.02 -0.20 -4.95 117.35 115.12 3con s TYR 4 Ca 0.09 -0.08 -0.13 0.00 -0.37 0.00 0.00 57.07 56.58 3con s TYR 4 Cb -0.09 -0.51 0.04 0.00 -0.40 0.00 0.00 41.96 41.00 3con s TYR 4 CO 0.02 -0.16 0.26 0.15 -1.57 0.00 0.00 175.55 174.26 3con s LYS 5 N 1.01 2.86 0.10 -0.62 1.02 -1.26 -1.21 119.74 121.64 3con s LYS 5 Ca -0.10 -1.14 0.05 0.00 0.02 0.00 0.00 55.97 54.79 3con s LYS 5 Cb -0.14 -3.86 -0.04 0.00 -0.52 0.00 0.00 37.83 33.27 3con s LYS 5 CO -0.01 -0.79 0.03 -0.51 -0.92 0.00 0.00 175.35 173.15 3con s LEU 6 N 1.59 3.57 -0.03 3.17 1.43 0.51 -0.31 118.68 128.61 3con s LEU 6 Ca 0.03 -0.14 0.02 0.00 -1.03 0.00 0.00 54.13 53.01 3con s LEU 6 Cb -0.20 -2.27 0.01 0.00 0.03 0.00 0.00 46.19 43.75 3con s LEU 6 CO 0.07 0.16 -0.08 -0.69 0.23 0.00 0.00 176.35 176.04 3con s VAL 7 N -1.39 0.72 -0.23 -1.59 1.01 -0.45 -0.44 120.40 118.03 3con s VAL 7 Ca 0.27 -0.32 -0.05 0.00 0.00 0.00 0.00 61.98 61.88 3con s VAL 7 Cb -0.12 -0.65 -0.02 0.00 0.00 0.00 0.00 36.38 35.59 3con s VAL 7 CO 0.20 0.23 0.00 -0.69 0.00 0.00 0.00 175.10 174.84 3con s VAL 8 N 0.27 3.76 0.21 2.92 1.01 0.38 -0.78 120.40 128.17 3con s VAL 8 Ca -0.04 -0.36 0.05 0.00 0.00 0.00 0.00 61.98 61.63 3con s VAL 8 Cb -0.09 -2.73 -0.05 0.00 0.00 0.00 0.00 36.38 33.51 3con s VAL 8 CO 0.00 0.39 -0.07 0.68 0.00 0.00 0.00 175.10 176.11 3con s VAL 9 N 1.48 1.35 0.00 2.92 -7.23 -0.33 -2.60 120.40 115.98 3con s VAL 9 Ca 0.06 -2.10 0.00 0.00 -1.81 0.00 0.00 61.98 58.13 3con s VAL 9 Cb -0.15 -2.16 0.00 0.00 0.56 0.00 0.00 36.38 34.63 3con s VAL 9 CO -0.00 -0.50 0.00 0.61 -0.31 0.00 0.00 175.10 174.90 3con n GLY 10 N -0.38 2.81 3.69 2.32 0.00 -1.26 -0.90 105.19 111.46 3con n GLY 10 Ca -0.07 -1.59 -0.32 0.00 0.00 0.00 0.00 46.02 44.04 3con n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3con s ALA 11 N -1.96 1.65 0.29 4.61 0.00 -1.26 -4.92 121.76 120.16 3con s ALA 11 Ca 0.00 0.63 -0.30 0.00 0.00 0.00 0.00 51.96 52.29 3con s ALA 11 Cb 0.00 -3.45 -0.12 0.00 0.00 0.00 0.00 23.12 19.55 3con s ALA 11 CO 0.00 -2.54 1.54 0.41 0.00 0.00 0.00 175.76 175.17 3con n GLY 12 N 0.16 1.18 1.62 0.00 0.00 -1.26 -2.97 105.19 103.92 3con n GLY 12 Ca 0.12 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.60 3con n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3con n GLY 13 N 2.01 0.76 0.23 -0.02 0.00 -1.26 -4.94 105.19 101.97 3con n GLY 13 Ca 0.09 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.23 3con n GLY 13 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3con h VAL 14 N 0.00 0.00 0.00 1.61 -1.51 -1.90 -3.47 116.25 110.98 3con h VAL 14 Ca 0.00 -0.92 0.00 0.00 -1.23 0.00 0.00 66.70 64.55 3con h VAL 14 Cb 0.00 1.92 0.00 0.00 -2.13 0.00 0.00 31.29 31.08 3con h VAL 14 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 3con n GLY 15 N 0.92 1.75 0.14 5.19 0.00 -1.26 -4.51 105.19 107.42 3con n GLY 15 Ca 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.99 3con n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3con h LYS 16 N 0.00 0.03 -0.27 1.61 1.57 -1.91 0.78 116.57 118.39 3con h LYS 16 Ca 0.00 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 3con h LYS 16 Cb 0.00 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 3con h LYS 16 CO 0.00 0.02 -0.07 0.77 -0.57 0.00 0.00 179.45 179.60 3con h SER 17 N 0.03 0.52 -0.71 0.86 0.02 -1.96 -1.58 113.55 110.74 3con h SER 17 Ca 0.15 -0.37 -0.03 0.00 -0.84 0.00 0.00 61.79 60.70 3con h SER 17 Cb 0.22 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 3con h SER 17 CO -0.29 0.77 0.33 0.00 -1.14 0.00 0.00 176.83 176.50 3con h ALA 18 N 0.77 1.22 -0.17 3.77 0.00 -1.83 0.16 119.26 123.17 3con h ALA 18 Ca 0.07 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3con h ALA 18 Cb 0.54 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3con h ALA 18 CO 0.03 0.59 0.02 -0.07 0.00 0.00 0.00 179.25 179.82 3con h LEU 19 N 1.03 0.28 -0.01 0.00 3.38 -0.74 -0.41 115.31 118.83 3con h LEU 19 Ca 0.25 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.96 3con h LEU 19 Cb 0.13 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3con h LEU 19 CO -0.03 0.47 -0.02 0.74 0.09 0.00 0.00 178.44 179.70 3con h THR 20 N 0.07 0.95 -0.46 0.22 2.02 -0.66 -1.47 112.91 113.58 3con h THR 20 Ca 0.05 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.13 3con h THR 20 Cb 0.32 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 3con h THR 20 CO 0.00 0.00 -0.11 0.40 0.37 0.00 0.00 175.52 176.19 3con h ILE 21 N -0.03 1.26 -0.38 3.11 1.08 -0.67 0.80 117.51 122.68 3con h ILE 21 Ca 0.01 -1.19 0.05 0.00 -0.39 0.00 0.00 64.86 63.34 3con h ILE 21 Cb 0.04 1.02 -0.04 0.00 -3.07 0.00 0.00 36.82 34.77 3con h ILE 21 CO -0.03 0.41 0.12 -0.61 -0.69 0.00 0.00 178.15 177.36 3con h GLN 22 N 0.76 0.27 0.04 2.37 5.75 -0.88 0.27 115.11 123.68 3con h GLN 22 Ca 0.13 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.61 3con h GLN 22 Cb 0.61 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.10 3con h GLN 22 CO 0.04 0.18 -0.02 1.25 -2.65 0.00 0.00 178.83 177.63 3con h LEU 23 N 0.28 -0.05 0.04 -2.39 5.85 -0.77 -0.98 115.31 117.29 3con h LEU 23 Ca 0.17 -0.08 -0.12 0.00 0.84 0.00 0.00 57.88 58.69 3con h LEU 23 Cb 0.16 0.01 0.01 0.00 0.37 0.00 0.00 40.66 41.22 3con h LEU 23 CO -0.19 0.05 -0.51 0.40 -0.34 0.00 0.00 178.44 177.86 3con h ILE 24 N -0.15 1.53 -0.01 4.05 1.08 -0.71 -3.37 117.51 119.93 3con h ILE 24 Ca -0.01 -2.22 0.00 0.00 -0.39 0.00 0.00 64.86 62.25 3con h ILE 24 Cb 0.13 2.92 0.00 0.00 -3.07 0.00 0.00 36.82 36.80 3con h ILE 24 CO 0.01 0.62 -0.20 0.00 -0.69 0.00 0.00 178.15 177.89 3con n GLN 25 N -4.31 2.03 -3.61 2.37 6.02 0.90 -5.02 117.38 115.77 3con n GLN 25 Ca -0.11 -0.62 -0.24 0.00 -0.01 0.00 0.00 57.00 56.01 3con n GLN 25 Cb 0.65 -1.09 0.08 0.00 1.02 0.00 0.00 30.24 30.90 3con n GLN 25 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3con n ASN 26 N -0.23 -6.34 -3.81 1.08 4.13 -0.37 -4.97 115.26 104.74 3con n ASN 26 Ca 0.04 -0.55 -0.12 0.00 1.68 0.00 0.00 54.58 55.63 3con n ASN 26 Cb 0.21 -4.99 -0.10 0.00 -1.54 0.00 0.00 39.78 33.37 3con n ASN 26 CO 0.00 0.00 0.00 -2.28 0.28 0.00 0.00 177.26 175.26 3con s HIS 27 N -3.32 -0.10 -0.19 3.10 2.46 -1.25 -5.00 115.29 110.99 3con s HIS 27 Ca 0.59 0.16 -0.17 0.00 0.47 0.00 0.00 55.06 56.11 3con s HIS 27 Cb -0.26 0.03 -0.04 0.00 -0.13 0.00 0.00 32.58 32.18 3con s HIS 27 CO 0.73 -0.30 0.47 0.12 -2.47 0.00 0.00 174.74 173.30 3con s PHE 28 N -1.08 3.39 -0.25 3.88 5.36 -1.26 -3.12 117.98 124.90 3con s PHE 28 Ca -0.12 0.73 -0.19 0.00 -0.96 0.00 0.00 56.93 56.40 3con s PHE 28 Cb -0.06 -2.60 -0.03 0.00 -0.34 0.00 0.00 43.02 39.99 3con s PHE 28 CO 0.02 -0.03 0.55 0.14 -1.46 0.00 0.00 175.22 174.44 3con s VAL 29 N 1.39 5.05 -0.64 3.12 -7.23 -1.26 -4.93 120.40 115.90 3con s VAL 29 Ca 0.23 0.96 0.25 0.00 -1.81 0.00 0.00 61.98 61.61 3con s VAL 29 Cb -0.15 -3.86 0.28 0.00 0.56 0.00 0.00 36.38 33.21 3con s VAL 29 CO 0.09 0.08 1.76 -2.24 -0.31 0.00 0.00 175.10 174.48 3con h ASP 30 N 7.90 0.00 -5.00 4.85 3.04 -2.01 -3.45 116.42 121.75 3con h ASP 30 Ca -0.29 0.00 -0.06 0.00 -3.24 0.00 0.00 57.03 53.44 3con h ASP 30 Cb 1.14 0.00 -0.19 0.00 -1.04 0.00 0.00 39.33 39.24 3con h ASP 30 CO 0.73 0.00 0.16 -0.70 -2.04 0.00 0.00 179.24 177.39 3con s GLU 31 N -3.17 1.04 -0.27 4.15 2.12 -1.26 -5.17 118.70 116.14 3con s GLU 31 Ca 0.09 0.21 -0.10 0.00 0.36 0.00 0.00 54.97 55.53 3con s GLU 31 Cb 0.11 0.49 0.11 0.00 0.26 0.00 0.00 34.13 35.10 3con s GLU 31 CO 0.54 -0.32 0.59 -0.47 -0.54 0.00 0.00 175.26 175.05 3con s TYR 32 N -1.25 -1.17 -0.50 5.30 6.14 -1.26 -5.10 117.35 119.51 3con s TYR 32 Ca -0.11 2.09 -0.45 0.00 0.64 0.00 0.00 57.07 59.24 3con s TYR 32 Cb -0.00 0.65 -0.19 0.00 0.42 0.00 0.00 41.96 42.84 3con s TYR 32 CO 0.09 -0.60 1.90 -3.47 0.64 0.00 0.00 175.55 174.11 3con n ASP 33 N 5.31 0.97 0.00 4.32 -0.08 -1.26 -4.78 116.55 121.04 3con n ASP 33 Ca -0.12 0.91 0.06 0.00 -1.51 0.00 0.00 54.79 54.13 3con n ASP 33 Cb 0.50 -0.89 0.29 0.00 2.34 0.00 0.00 41.12 43.35 3con n ASP 33 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3con n PRO 34 N 5.93 0.07 0.00 -0.67 -0.04 -1.26 -2.37 135.00 136.67 3con n PRO 34 Ca 0.44 0.24 0.11 0.00 -0.04 0.00 0.00 63.50 64.25 3con n PRO 34 Cb -0.05 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.02 3con n PRO 34 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3con n THR 35 N -1.41 0.00 -2.48 0.52 -2.24 -1.26 -4.41 114.28 102.99 3con n THR 35 Ca 0.04 -0.02 -0.43 0.00 -2.27 0.00 0.00 64.05 61.37 3con n THR 35 Cb 0.13 0.59 -0.02 0.00 -2.10 0.00 0.00 70.33 68.93 3con n THR 35 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3con s ILE 36 N -2.94 4.20 -0.17 2.28 1.01 -1.00 -4.91 121.20 119.68 3con s ILE 36 Ca 0.11 1.34 -0.02 0.00 0.00 0.00 0.00 60.65 62.08 3con s ILE 36 Cb 0.17 -4.27 -0.01 0.00 0.01 0.00 0.00 42.46 38.36 3con s ILE 36 CO 0.74 -0.57 -0.10 -0.70 0.00 0.00 0.00 174.94 174.32 3con s GLU 37 N 4.17 3.39 0.17 2.79 2.12 -1.26 -4.62 118.70 125.45 3con s GLU 37 Ca 0.53 -0.66 -0.17 0.00 0.36 0.00 0.00 54.97 55.04 3con s GLU 37 Cb -0.14 -2.79 0.03 0.00 0.26 0.00 0.00 34.13 31.49 3con s GLU 37 CO 0.23 0.04 0.47 0.34 -0.54 0.00 0.00 175.26 175.81 3con s ASP 38 N 0.81 -0.25 -0.09 -1.70 2.15 -1.07 -5.02 116.67 111.50 3con s ASP 38 Ca -0.03 -0.44 -0.08 0.00 0.43 0.00 0.00 52.55 52.43 3con s ASP 38 Cb -0.15 0.54 -0.04 0.00 -0.30 0.00 0.00 42.92 42.97 3con s ASP 38 CO 0.01 -0.98 0.19 -0.44 -0.17 0.00 0.00 175.17 173.78 3con s SER 39 N -2.85 6.46 -0.08 -0.34 0.01 -1.26 -1.09 113.70 114.55 3con s SER 39 Ca 0.08 0.55 0.02 0.00 1.31 0.00 0.00 55.95 57.90 3con s SER 39 Cb 0.00 -2.10 0.01 0.00 0.21 0.00 0.00 66.02 64.15 3con s SER 39 CO -0.06 0.39 -0.14 -0.31 0.41 0.00 0.00 173.24 173.52 3con s TYR 40 N -1.06 1.69 0.12 2.43 2.02 0.27 -4.94 117.35 117.89 3con s TYR 40 Ca 0.17 -0.67 0.07 0.00 -0.37 0.00 0.00 57.07 56.28 3con s TYR 40 Cb -0.13 -1.22 -0.04 0.00 -0.40 0.00 0.00 41.96 40.18 3con s TYR 40 CO 0.06 -0.33 -0.09 0.50 -1.57 0.00 0.00 175.55 174.12 3con s ARG 41 N 0.68 2.13 -0.29 -0.62 3.00 -1.26 -0.35 118.95 122.24 3con s ARG 41 Ca -0.14 -1.08 -0.15 0.00 -1.00 0.00 0.00 55.73 53.37 3con s ARG 41 Cb -0.16 -2.28 0.11 0.00 0.00 0.00 0.00 34.95 32.63 3con s ARG 41 CO 0.04 0.49 0.78 0.21 0.00 0.00 0.00 175.30 176.82 3con s LYS 42 N -2.39 0.56 0.01 5.12 2.47 -0.68 -5.01 119.74 119.82 3con s LYS 42 Ca 0.22 1.09 -0.30 0.00 -1.56 0.00 0.00 55.97 55.42 3con s LYS 42 Cb -0.10 0.31 -0.05 0.00 -1.46 0.00 0.00 37.83 36.53 3con s LYS 42 CO 0.14 -0.14 1.27 -1.14 0.16 0.00 0.00 175.35 175.64 3con s GLN 43 N 1.92 4.36 0.31 4.03 0.74 -1.26 -1.14 119.66 128.62 3con s GLN 43 Ca -0.08 1.81 0.04 0.00 0.05 0.00 0.00 55.36 57.18 3con s GLN 43 Cb -0.06 -3.46 -0.04 0.00 1.10 0.00 0.00 33.01 30.55 3con s GLN 43 CO -0.18 -0.41 0.17 0.14 -0.55 0.00 0.00 175.29 174.46 3con s VAL 44 N 1.77 0.28 -0.16 1.34 -7.23 -0.17 -4.99 120.40 111.24 3con s VAL 44 Ca 0.60 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.77 3con s VAL 44 Cb -0.29 -2.49 0.01 0.00 0.56 0.00 0.00 36.38 34.16 3con s VAL 44 CO 0.26 0.00 -0.18 -0.69 -0.31 0.00 0.00 175.10 174.19 3con s VAL 45 N -3.57 2.36 -0.18 1.32 1.01 -1.26 -1.09 120.40 118.99 3con s VAL 45 Ca 0.36 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.48 3con s VAL 45 Cb 0.04 -1.99 0.03 0.00 0.00 0.00 0.00 36.38 34.47 3con s VAL 45 CO 0.19 0.52 -0.14 -0.63 0.00 0.00 0.00 175.10 175.04 3con s ILE 46 N 1.02 1.79 -1.44 2.22 1.01 0.18 -4.68 121.20 121.29 3con s ILE 46 Ca -0.02 -0.92 -0.09 0.00 0.00 0.00 0.00 60.65 59.63 3con s ILE 46 Cb -0.15 -1.73 0.05 0.00 0.01 0.00 0.00 42.46 40.64 3con s ILE 46 CO -0.05 0.35 0.70 0.47 0.00 0.00 0.00 174.94 176.41 3con n ASP 47 N 4.67 -5.05 0.00 3.58 8.00 -1.26 -0.67 116.55 125.83 3con n ASP 47 Ca -0.17 -0.45 0.00 0.00 0.71 0.00 0.00 54.79 54.88 3con n ASP 47 Cb 0.48 -4.08 0.00 0.00 -0.02 0.00 0.00 41.12 37.50 3con n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3con n GLY 48 N -1.48 2.08 3.67 0.44 0.00 -1.26 -5.02 105.19 103.61 3con n GLY 48 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 3con n GLY 48 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3con s GLU 49 N -0.24 4.16 0.03 1.61 2.12 0.16 -5.03 118.70 121.50 3con s GLU 49 Ca 0.00 0.18 -0.30 0.00 0.36 0.00 0.00 54.97 55.20 3con s GLU 49 Cb 0.00 -3.54 -0.05 0.00 0.26 0.00 0.00 34.13 30.80 3con s GLU 49 CO 0.00 -0.05 1.15 0.99 -0.54 0.00 0.00 175.26 176.81 3con s THR 50 N 1.35 4.25 0.24 -1.70 2.01 -1.26 -0.65 115.64 119.88 3con s THR 50 Ca 0.18 1.61 -0.15 0.00 0.31 0.00 0.00 61.69 63.64 3con s THR 50 Cb -0.15 -4.03 0.01 0.00 0.01 0.00 0.00 72.50 68.34 3con s THR 50 CO 0.08 0.10 0.52 0.00 -0.69 0.00 0.00 174.62 174.63 3con s LEU 52 N -2.97 3.16 -0.16 0.00 2.96 -0.16 -1.00 118.68 120.51 3con s LEU 52 Ca 0.17 -0.22 -0.08 0.00 -0.22 0.00 0.00 54.13 53.78 3con s LEU 52 Cb -0.01 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 3con s LEU 52 CO 0.05 0.09 0.13 -0.76 -1.32 0.00 0.00 176.35 174.54 3con s LEU 53 N 0.85 4.28 -0.23 -0.68 1.43 -0.29 -1.03 118.68 123.00 3con s LEU 53 Ca -0.00 0.34 0.02 0.00 -1.03 0.00 0.00 54.13 53.46 3con s LEU 53 Cb -0.14 -2.07 0.05 0.00 0.03 0.00 0.00 46.19 44.05 3con s LEU 53 CO 0.02 0.29 -0.14 -0.62 0.23 0.00 0.00 176.35 176.13 3con s ASP 54 N -0.33 3.99 -0.23 2.29 -1.08 -0.35 -1.69 116.67 119.28 3con s ASP 54 Ca 0.11 -1.12 -0.03 0.00 -0.52 0.00 0.00 52.55 50.99 3con s ASP 54 Cb -0.12 -1.53 0.01 0.00 -1.46 0.00 0.00 42.92 39.82 3con s ASP 54 CO 0.01 -0.12 -0.07 -0.63 0.52 0.00 0.00 175.17 174.88 3con s ILE 55 N 1.17 3.06 -0.40 4.11 1.01 0.53 -0.36 121.20 130.31 3con s ILE 55 Ca -0.04 -0.72 -0.21 0.00 0.00 0.00 0.00 60.65 59.69 3con s ILE 55 Cb -0.17 -2.43 0.01 0.00 0.01 0.00 0.00 42.46 39.88 3con s ILE 55 CO -0.08 0.36 0.65 -0.22 0.00 0.00 0.00 174.94 175.66 3con s LEU 56 N 1.41 4.37 -0.55 2.97 2.96 0.41 -0.57 118.68 129.69 3con s LEU 56 Ca 0.04 -0.12 -0.22 0.00 -0.22 0.00 0.00 54.13 53.61 3con s LEU 56 Cb -0.15 -2.77 0.05 0.00 0.50 0.00 0.00 46.19 43.82 3con s LEU 56 CO -0.05 -0.71 0.82 -0.62 -1.32 0.00 0.00 176.35 174.47 3con s ASP 57 N 1.93 6.27 0.53 3.68 2.15 -0.25 -0.47 116.67 130.51 3con s ASP 57 Ca 0.24 -0.66 -0.12 0.00 0.43 0.00 0.00 52.55 52.43 3con s ASP 57 Cb -0.14 -2.38 -0.06 0.00 -0.30 0.00 0.00 42.92 40.04 3con s ASP 57 CO 0.18 -1.13 0.94 0.42 -0.17 0.00 0.00 175.17 175.40 3con s THR 58 N 3.46 4.68 0.03 1.71 -4.23 -1.07 -2.61 115.64 117.61 3con s THR 58 Ca 0.23 0.89 0.02 0.00 -1.18 0.00 0.00 61.69 61.65 3con s THR 58 Cb -0.16 -3.79 -0.02 0.00 1.34 0.00 0.00 72.50 69.87 3con s THR 58 CO 0.15 -0.83 -0.08 0.00 -0.54 0.00 0.00 174.62 173.33 3con s ALA 59 N -2.78 0.57 -1.11 3.99 0.00 -1.26 -4.90 121.76 116.28 3con s ALA 59 Ca 0.55 -0.67 -0.10 0.00 0.00 0.00 0.00 51.96 51.74 3con s ALA 59 Cb -0.10 0.01 0.26 0.00 0.00 0.00 0.00 23.12 23.29 3con s ALA 59 CO 0.40 0.01 1.13 0.20 0.00 0.00 0.00 175.76 177.51 3con s GLY 60 N -1.30 3.13 0.00 0.00 0.00 -1.26 -4.99 107.32 102.90 3con s GLY 60 Ca -0.07 -3.77 0.00 0.00 0.00 0.00 0.00 44.72 40.87 3con s GLY 60 CO 0.00 1.40 0.00 -0.13 0.00 0.00 0.00 173.10 174.37 3con n MET 72 N 3.06 0.00 0.26 2.90 1.56 -1.26 -4.94 117.12 118.70 3con n MET 72 Ca 0.25 0.00 0.09 0.00 -0.27 0.00 0.00 57.70 57.76 3con n MET 72 Cb 0.40 0.00 0.65 0.00 2.15 0.00 0.00 33.22 36.42 3con n MET 72 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3con h ARG 73 N 0.00 0.00 -0.01 2.12 -0.00 -2.01 -1.95 114.38 112.53 3con h ARG 73 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 3con h ARG 73 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.97 3con h ARG 73 CO 0.00 0.06 -0.12 0.25 0.00 0.00 0.00 179.97 180.16 3con n THR 74 N -4.32 0.00 -1.72 2.04 -2.24 -1.26 -4.86 114.28 101.92 3con n THR 74 Ca -0.03 -0.20 -0.42 0.00 -2.27 0.00 0.00 64.05 61.13 3con n THR 74 Cb 0.14 0.47 -0.02 0.00 -2.10 0.00 0.00 70.33 68.82 3con n THR 74 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3con n GLY 75 N 1.26 1.25 0.03 3.38 0.00 -0.74 -4.84 105.19 105.52 3con n GLY 75 Ca 0.16 0.49 0.11 0.00 0.00 0.00 0.00 46.02 46.78 3con n GLY 75 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3con n GLU 76 N 2.38 0.59 -3.60 1.61 1.02 0.58 -4.97 120.64 118.23 3con n GLU 76 Ca 0.10 -0.13 -0.16 0.00 -0.02 0.00 0.00 57.16 56.95 3con n GLU 76 Cb 0.35 -1.57 -0.07 0.00 -0.02 0.00 0.00 31.44 30.13 3con n GLU 76 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3con s GLY 77 N -4.35 -0.43 -0.05 0.62 0.00 -1.13 -4.18 107.32 97.81 3con s GLY 77 Ca -0.05 0.99 0.02 0.00 0.00 0.00 0.00 44.72 45.68 3con s GLY 77 CO 0.88 0.69 -0.10 -1.36 0.00 0.00 0.00 173.10 173.21 3con s PHE 78 N -1.20 1.15 -0.22 1.90 0.08 -0.66 -1.34 117.98 117.69 3con s PHE 78 Ca -0.12 -0.36 -0.18 0.00 0.12 0.00 0.00 56.93 56.39 3con s PHE 78 Cb -0.02 -0.86 -0.03 0.00 -0.57 0.00 0.00 43.02 41.54 3con s PHE 78 CO 0.08 -0.19 0.52 -0.51 -0.10 0.00 0.00 175.22 175.02 3con s LEU 79 N 0.53 4.11 -0.43 -0.37 1.43 0.04 -1.75 118.68 122.25 3con s LEU 79 Ca -0.10 0.63 -0.14 0.00 -1.03 0.00 0.00 54.13 53.49 3con s LEU 79 Cb -0.13 -2.70 0.04 0.00 0.03 0.00 0.00 46.19 43.43 3con s LEU 79 CO 0.02 -0.22 0.31 0.00 0.23 0.00 0.00 176.35 176.69 3con s VAL 81 N 1.64 4.20 0.33 0.00 1.01 -0.08 -0.91 120.40 126.59 3con s VAL 81 Ca 0.04 -0.25 0.05 0.00 0.00 0.00 0.00 61.98 61.82 3con s VAL 81 Cb -0.21 -2.84 -0.07 0.00 0.00 0.00 0.00 36.38 33.26 3con s VAL 81 CO 0.08 0.50 0.01 0.72 0.00 0.00 0.00 175.10 176.42 3con s PHE 82 N 0.15 2.09 -0.11 5.22 -0.12 -0.11 -4.12 117.98 120.98 3con s PHE 82 Ca 0.01 -0.81 -0.04 0.00 -0.05 0.00 0.00 56.93 56.04 3con s PHE 82 Cb -0.13 -1.35 -0.03 0.00 -0.63 0.00 0.00 43.02 40.88 3con s PHE 82 CO 0.02 0.20 0.03 0.00 -0.05 0.00 0.00 175.22 175.42 3con s ALA 83 N -3.07 3.37 -0.63 1.99 0.00 -1.26 -0.18 121.76 121.97 3con s ALA 83 Ca 0.34 -0.77 0.20 0.00 0.00 0.00 0.00 51.96 51.73 3con s ALA 83 Cb 0.07 -1.63 0.86 0.00 0.00 0.00 0.00 23.12 22.42 3con s ALA 83 CO 0.15 0.49 1.61 0.44 0.00 0.00 0.00 175.76 178.45 3con n ILE 84 N 2.49 0.93 -1.26 0.00 -6.64 -0.22 -1.55 119.36 113.11 3con n ILE 84 Ca -0.18 0.28 -0.10 0.00 -1.77 0.00 0.00 62.75 60.98 3con n ILE 84 Cb 0.53 -1.16 0.22 0.00 -1.44 0.00 0.00 39.64 37.79 3con n ILE 84 CO 0.00 0.00 0.00 -0.46 -1.77 0.00 0.00 176.55 174.32 3con n ASN 85 N -2.00 3.47 -3.39 7.28 6.94 -1.26 -0.32 115.26 125.99 3con n ASN 85 Ca 0.02 -3.54 -0.19 0.00 -0.02 0.00 0.00 54.58 50.84 3con n ASN 85 Cb 0.19 -0.71 -0.09 0.00 -2.36 0.00 0.00 39.78 36.81 3con n ASN 85 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 3con s ASN 86 N -1.80 1.60 0.20 0.53 3.84 -0.60 -4.80 114.94 113.93 3con s ASN 86 Ca 0.50 -1.62 -0.10 0.00 0.21 0.00 0.00 52.86 51.85 3con s ASN 86 Cb 0.43 0.35 0.26 0.00 -0.55 0.00 0.00 41.25 41.75 3con s ASN 86 CO 0.07 -0.28 1.72 -1.28 -2.79 0.00 0.00 177.10 174.54 3con h SER 87 N 7.18 0.09 -0.62 -4.21 0.87 -1.83 -2.00 113.55 113.03 3con h SER 87 Ca 0.03 0.09 0.03 0.00 -1.23 0.00 0.00 61.79 60.71 3con h SER 87 Cb 1.04 0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 63.07 3con h SER 87 CO 0.23 0.06 0.41 0.50 -0.53 0.00 0.00 176.83 177.50 3con h LYS 88 N 0.31 0.73 -0.42 2.24 1.63 -1.95 -0.96 116.57 118.15 3con h LYS 88 Ca 0.30 -0.04 -0.06 0.00 -0.85 0.00 0.00 60.65 59.99 3con h LYS 88 Cb 0.40 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.85 3con h LYS 88 CO -0.34 0.48 -0.00 0.66 -3.45 0.00 0.00 179.45 176.80 3con h SER 89 N 0.75 0.65 -0.11 4.20 4.64 -1.71 -0.37 113.55 121.61 3con h SER 89 Ca 0.24 -0.15 -0.02 0.00 -0.47 0.00 0.00 61.79 61.40 3con h SER 89 Cb 0.04 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 61.96 3con h SER 89 CO -0.06 0.73 -0.01 0.15 -0.87 0.00 0.00 176.83 176.76 3con h PHE 90 N 0.65 0.22 -0.88 4.77 3.57 -0.95 -2.98 116.94 121.34 3con h PHE 90 Ca 0.13 -0.04 0.14 0.00 3.53 0.00 0.00 57.97 61.73 3con h PHE 90 Cb 0.41 -0.06 -0.09 0.00 2.79 0.00 0.00 35.95 39.00 3con h PHE 90 CO 0.02 0.46 0.49 0.00 -2.23 0.00 0.00 178.31 177.05 3con h ALA 91 N 0.73 1.34 0.00 2.41 0.00 -0.91 -1.84 119.26 121.00 3con h ALA 91 Ca 0.03 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3con h ALA 91 Cb 0.38 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3con h ALA 91 CO 0.01 -0.02 0.00 -0.44 0.00 0.00 0.00 179.25 178.80 3con h ASP 92 N 0.71 0.00 -0.95 0.00 3.32 -0.93 -3.24 116.42 115.34 3con h ASP 92 Ca 0.47 0.00 0.22 0.00 0.02 0.00 0.00 57.03 57.75 3con h ASP 92 Cb 0.62 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.05 3con h ASP 92 CO -0.34 0.00 0.51 0.40 -1.72 0.00 0.00 179.24 178.09 3con h ILE 93 N 0.00 0.54 -0.32 0.35 1.08 -1.20 -0.78 117.51 117.18 3con h ILE 93 Ca 0.00 -0.18 -0.03 0.00 -0.39 0.00 0.00 64.86 64.26 3con h ILE 93 Cb 0.45 -0.04 -0.02 0.00 -3.07 0.00 0.00 36.82 34.15 3con h ILE 93 CO 0.00 0.10 0.07 -1.13 -0.69 0.00 0.00 178.15 176.49 3con h ASN 94 N 0.53 0.43 -0.58 1.72 -0.73 -1.77 -0.42 115.58 114.77 3con h ASN 94 Ca 0.59 -0.06 -0.04 0.00 1.87 0.00 0.00 56.30 58.66 3con h ASN 94 Cb 1.09 -0.11 -0.02 0.00 0.27 0.00 0.00 38.32 39.55 3con h ASN 94 CO -0.48 0.45 0.19 -0.07 -0.37 0.00 0.00 177.43 177.16 3con h LEU 95 N 0.47 0.83 -0.29 0.34 3.38 -1.38 -1.60 115.31 117.05 3con h LEU 95 Ca 0.11 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 3con h LEU 95 Cb 0.20 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3con h LEU 95 CO -0.00 0.81 -0.12 1.88 0.09 0.00 0.00 178.44 181.09 3con h TYR 96 N 0.81 0.68 -0.64 1.13 0.05 -1.30 -0.82 116.97 116.88 3con h TYR 96 Ca 0.19 -0.16 0.04 0.00 0.05 0.00 0.00 58.73 58.84 3con h TYR 96 Cb 0.26 -0.16 -0.04 0.00 1.01 0.00 0.00 36.73 37.80 3con h TYR 96 CO 0.02 0.82 0.39 -0.09 -1.05 0.00 0.00 178.16 178.24 3con h ARG 97 N 0.34 0.72 -0.50 4.88 2.43 -0.99 -0.79 114.38 120.48 3con h ARG 97 Ca 0.07 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.11 3con h ARG 97 Cb 0.63 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.00 3con h ARG 97 CO 0.04 0.48 -0.03 0.93 -1.51 0.00 0.00 179.97 179.87 3con h GLU 98 N 0.74 0.91 -0.69 0.20 4.39 -1.24 -1.32 114.58 117.57 3con h GLU 98 Ca 0.27 -0.30 0.12 0.00 0.34 0.00 0.00 59.36 59.78 3con h GLU 98 Cb 0.07 -0.07 -0.08 0.00 -0.10 0.00 0.00 28.75 28.56 3con h GLU 98 CO -0.13 0.95 0.27 1.96 -1.16 0.00 0.00 179.01 180.90 3con h GLN 99 N 0.77 0.42 -0.25 2.33 4.20 -0.67 -0.54 115.11 121.37 3con h GLN 99 Ca 0.14 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.75 3con h GLN 99 Cb 0.56 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 3con h GLN 99 CO 0.03 0.28 -0.13 0.82 -0.67 0.00 0.00 178.83 179.16 3con h ILE 100 N 0.44 1.30 -0.78 2.54 2.04 -0.82 0.27 117.51 122.49 3con h ILE 100 Ca 0.36 -1.22 0.08 0.00 1.00 0.00 0.00 64.86 65.08 3con h ILE 100 Cb 0.50 1.55 -0.07 0.00 -0.74 0.00 0.00 36.82 38.07 3con h ILE 100 CO -0.36 0.38 0.45 0.11 0.00 0.00 0.00 178.15 178.74 3con h LYS 101 N 0.26 0.77 -0.11 2.37 1.57 -0.79 -1.16 116.57 119.48 3con h LYS 101 Ca 0.06 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.68 3con h LYS 101 Cb 0.64 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.78 3con h LYS 101 CO 0.04 0.51 -0.37 0.00 -0.57 0.00 0.00 179.45 179.06 3con h ARG 102 N 0.79 0.45 -0.12 3.15 3.08 -0.84 -0.63 114.38 120.26 3con h ARG 102 Ca 0.36 -0.33 -0.06 0.00 0.07 0.00 0.00 59.98 60.02 3con h ARG 102 Cb 0.27 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 3con h ARG 102 CO -0.21 0.96 -0.20 -0.24 -1.07 0.00 0.00 179.97 179.20 3con h VAL 103 N 0.03 1.20 -0.01 2.04 3.04 -0.74 -2.18 116.25 119.62 3con h VAL 103 Ca -0.01 -0.94 0.00 0.00 -1.01 0.00 0.00 66.70 64.74 3con h VAL 103 Cb 1.00 1.34 0.00 0.00 -2.01 0.00 0.00 31.29 31.62 3con h VAL 103 CO 0.08 0.29 -0.24 0.29 -1.01 0.00 0.00 177.57 176.98 3con n LYS 104 N -4.22 1.34 -4.11 4.17 4.76 -0.46 -4.84 118.16 114.81 3con n LYS 104 Ca -0.01 -0.96 -0.31 0.00 -2.87 0.00 0.00 58.31 54.16 3con n LYS 104 Cb 0.31 -1.48 -0.05 0.00 -1.84 0.00 0.00 35.03 31.98 3con n LYS 104 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3con n ASP 105 N 0.00 -0.59 -3.61 4.39 2.03 -0.34 -4.96 116.55 113.48 3con n ASP 105 Ca 0.13 -1.16 -0.14 0.00 0.52 0.00 0.00 54.79 54.14 3con n ASP 105 Cb 0.42 -2.28 -0.07 0.00 -0.72 0.00 0.00 41.12 38.48 3con n ASP 105 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 3con s SER 106 N -4.21 -0.70 0.02 1.67 0.15 -0.63 -5.03 113.70 104.97 3con s SER 106 Ca 0.10 1.26 0.26 0.00 0.70 0.00 0.00 55.95 58.27 3con s SER 106 Cb -0.05 1.24 0.69 0.00 -1.71 0.00 0.00 66.02 66.20 3con s SER 106 CO 0.94 -0.30 1.55 0.47 1.20 0.00 0.00 173.24 177.11 3con n ASP 107 N 2.32 0.40 -1.60 5.45 8.00 -1.26 -4.37 116.55 125.49 3con n ASP 107 Ca -0.15 0.03 0.08 0.00 0.71 0.00 0.00 54.79 55.46 3con n ASP 107 Cb 0.55 0.00 0.36 0.00 -0.02 0.00 0.00 41.12 42.02 3con n ASP 107 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3con n ASP 108 N -1.60 5.03 -4.70 -2.24 10.43 -1.26 -5.00 116.55 117.21 3con n ASP 108 Ca 0.06 -2.72 -0.42 0.00 2.57 0.00 0.00 54.79 54.28 3con n ASP 108 Cb 0.35 -0.61 -0.03 0.00 1.84 0.00 0.00 41.12 42.67 3con n ASP 108 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3con s VAL 109 N -2.34 3.17 0.12 2.53 1.01 -1.26 -4.92 120.40 118.71 3con s VAL 109 Ca 0.51 0.71 -0.34 0.00 0.00 0.00 0.00 61.98 62.86 3con s VAL 109 Cb 0.36 -3.46 -0.14 0.00 0.00 0.00 0.00 36.38 33.14 3con s VAL 109 CO 0.19 0.02 1.59 -2.65 0.00 0.00 0.00 175.10 174.24 3con n PRO 110 N 4.91 2.03 -3.76 2.72 -0.02 -1.26 -4.92 135.00 134.71 3con n PRO 110 Ca 0.14 0.73 -0.10 0.00 -2.02 0.00 0.00 63.50 62.26 3con n PRO 110 Cb 0.41 -2.50 -0.06 0.00 -0.02 0.00 0.00 33.50 31.34 3con n PRO 110 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3con s MET 111 N 1.23 1.03 -0.01 -0.52 0.23 -1.26 -1.66 119.30 118.33 3con s MET 111 Ca 0.81 -0.86 0.01 0.00 -1.03 0.00 0.00 55.69 54.62 3con s MET 111 Cb -0.71 0.42 0.01 0.00 -1.53 0.00 0.00 34.83 33.01 3con s MET 111 CO 0.41 -0.38 -0.03 0.08 -2.03 0.00 0.00 175.02 173.06 3con s VAL 112 N -3.85 0.31 -0.14 5.16 1.01 -0.72 -4.35 120.40 117.82 3con s VAL 112 Ca 0.06 -0.10 -0.21 0.00 0.00 0.00 0.00 61.98 61.72 3con s VAL 112 Cb 0.03 -0.31 -0.03 0.00 0.00 0.00 0.00 36.38 36.07 3con s VAL 112 CO -0.09 0.12 0.63 -0.22 0.00 0.00 0.00 175.10 175.54 3con s LEU 113 N 0.30 4.22 -0.16 3.92 2.96 -0.21 -1.24 118.68 128.47 3con s LEU 113 Ca -0.03 0.95 0.01 0.00 -0.22 0.00 0.00 54.13 54.84 3con s LEU 113 Cb -0.06 -2.93 0.01 0.00 0.50 0.00 0.00 46.19 43.70 3con s LEU 113 CO -0.01 -0.18 -0.17 -0.69 -1.32 0.00 0.00 176.35 173.98 3con s VAL 114 N 1.37 2.42 -0.45 1.68 1.01 -0.09 -0.93 120.40 125.41 3con s VAL 114 Ca 0.31 -0.84 -0.12 0.00 0.00 0.00 0.00 61.98 61.33 3con s VAL 114 Cb -0.16 -2.02 0.08 0.00 0.00 0.00 0.00 36.38 34.28 3con s VAL 114 CO 0.13 0.52 0.33 -0.83 0.00 0.00 0.00 175.10 175.25 3con s GLY 115 N 0.99 2.01 0.48 4.51 0.00 -0.54 -0.93 107.32 113.83 3con s GLY 115 Ca -0.02 -2.19 0.02 0.00 0.00 0.00 0.00 44.72 42.52 3con s GLY 115 CO -0.04 1.02 0.69 0.21 0.00 0.00 0.00 173.10 174.99 3con s ASN 116 N 2.42 5.60 -0.60 1.64 2.47 0.75 -0.99 114.94 126.22 3con s ASN 116 Ca 0.04 0.07 -0.00 0.00 0.42 0.00 0.00 52.86 53.38 3con s ASN 116 Cb -0.24 -1.17 0.00 0.00 -1.45 0.00 0.00 41.25 38.39 3con s ASN 116 CO 0.04 -0.87 0.04 0.29 -3.72 0.00 0.00 177.10 172.88 3con n LYS 117 N -2.14 -0.79 0.00 0.43 5.02 -0.57 -1.05 118.16 119.05 3con n LYS 117 Ca 0.04 0.34 0.08 0.00 -2.02 0.00 0.00 58.31 56.76 3con n LYS 117 Cb 0.59 -4.19 0.42 0.00 -0.02 0.00 0.00 35.03 31.82 3con n LYS 117 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3con h ASP 119 N 0.00 0.00 -3.55 0.00 2.03 -1.92 -3.46 116.42 109.53 3con h ASP 119 Ca 0.00 0.00 -0.52 0.00 -0.73 0.00 0.00 57.03 55.78 3con h ASP 119 Cb 0.19 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.66 3con h ASP 119 CO 0.00 0.08 0.20 -0.76 -1.03 0.00 0.00 179.24 177.73 3con s LEU 120 N -6.55 4.60 0.00 0.15 1.43 -0.55 -4.98 118.68 112.78 3con s LEU 120 Ca -0.01 1.68 0.29 0.00 -1.03 0.00 0.00 54.13 55.06 3con s LEU 120 Cb 0.11 -3.33 1.21 0.00 0.03 0.00 0.00 46.19 44.20 3con s LEU 120 CO 0.56 0.20 1.85 -0.81 0.23 0.00 0.00 176.35 178.39 3con n PRO 121 N 1.58 0.56 -1.81 1.29 -0.04 -1.26 -4.40 135.00 130.93 3con n PRO 121 Ca -0.05 -0.18 -0.34 0.00 -0.04 0.00 0.00 63.50 62.89 3con n PRO 121 Cb 0.48 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.43 3con n PRO 121 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3con n THR 122 N -1.06 4.12 -2.45 0.52 -2.24 -1.26 -4.96 114.28 106.94 3con n THR 122 Ca 0.13 -3.86 -0.42 0.00 -2.27 0.00 0.00 64.05 57.63 3con n THR 122 Cb 0.28 -1.64 -0.03 0.00 -2.10 0.00 0.00 70.33 66.84 3con n THR 122 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3con s ARG 123 N -2.28 4.39 0.00 -0.78 3.52 -1.26 -4.32 118.95 118.22 3con s ARG 123 Ca 0.54 1.70 0.00 0.00 -0.13 0.00 0.00 55.73 57.85 3con s ARG 123 Cb 0.33 -3.47 0.00 0.00 -1.56 0.00 0.00 34.95 30.24 3con s ARG 123 CO -0.22 -0.35 0.37 0.25 -0.81 0.00 0.00 175.30 174.54 3con n THR 124 N 4.31 0.00 -4.07 4.11 -2.24 0.57 -4.92 114.28 112.04 3con n THR 124 Ca 0.10 -0.42 -0.33 0.00 -2.27 0.00 0.00 64.05 61.13 3con n THR 124 Cb 0.46 1.14 -0.15 0.00 -2.10 0.00 0.00 70.33 69.68 3con n THR 124 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3con s VAL 125 N -0.09 2.23 0.70 2.28 1.01 -0.59 -4.66 120.40 121.27 3con s VAL 125 Ca 0.00 -1.30 -0.07 0.00 0.00 0.00 0.00 61.98 60.62 3con s VAL 125 Cb 0.00 -2.15 0.06 0.00 0.00 0.00 0.00 36.38 34.29 3con s VAL 125 CO 0.00 0.21 1.01 1.51 0.00 0.00 0.00 175.10 177.83 3con s ASP 126 N 1.20 4.85 0.35 3.32 1.47 -1.26 -4.89 116.67 121.72 3con s ASP 126 Ca -0.03 0.47 0.11 0.00 1.18 0.00 0.00 52.55 54.28 3con s ASP 126 Cb -0.17 -1.13 0.64 0.00 -0.34 0.00 0.00 42.92 41.92 3con s ASP 126 CO -0.08 -1.57 1.78 0.00 0.68 0.00 0.00 175.17 175.98 3con h THR 127 N -0.58 1.29 -0.33 2.11 1.03 -2.00 -1.95 112.91 112.48 3con h THR 127 Ca -0.44 -1.41 -0.04 0.00 -0.01 0.00 0.00 66.41 64.51 3con h THR 127 Cb 1.31 1.74 -0.01 0.00 -1.07 0.00 0.00 68.15 70.12 3con h THR 127 CO 0.60 0.41 0.06 0.50 -0.01 0.00 0.00 175.52 177.08 3con h LYS 128 N 0.03 0.55 -0.38 0.00 3.64 -1.99 -0.33 116.57 118.09 3con h LYS 128 Ca 0.00 -0.14 0.04 0.00 -1.27 0.00 0.00 60.65 59.28 3con h LYS 128 Cb 0.73 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.44 3con h LYS 128 CO 0.05 0.63 0.14 1.96 -2.27 0.00 0.00 179.45 179.96 3con h GLN 129 N 0.39 0.29 -0.13 1.90 4.20 -1.80 -0.15 115.11 119.80 3con h GLN 129 Ca 0.10 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.75 3con h GLN 129 Cb 0.34 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.05 3con h GLN 129 CO 0.01 0.19 -0.11 0.00 -0.67 0.00 0.00 178.83 178.25 3con h ALA 130 N 1.24 0.19 -0.63 3.87 0.00 -1.20 -1.64 119.26 121.10 3con h ALA 130 Ca 0.17 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 3con h ALA 130 Cb 0.15 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3con h ALA 130 CO -0.17 0.04 0.24 0.45 0.00 0.00 0.00 179.25 179.80 3con h HIS 131 N -0.06 0.98 -0.52 0.00 3.86 -0.97 -1.77 115.15 116.67 3con h HIS 131 Ca 0.02 -0.08 -0.06 0.00 -1.16 0.00 0.00 60.37 59.09 3con h HIS 131 Cb 0.61 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.77 3con h HIS 131 CO 0.08 0.78 0.07 0.93 0.86 0.00 0.00 177.93 180.65 3con h GLU 132 N 0.89 0.82 -0.04 2.45 5.08 -0.96 -1.03 114.58 121.79 3con h GLU 132 Ca 0.21 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3con h GLU 132 Cb 0.23 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 3con h GLU 132 CO -0.01 0.78 0.02 1.25 -1.00 0.00 0.00 179.01 180.04 3con h LEU 133 N 0.78 0.05 -0.89 1.33 5.85 -1.05 -0.86 115.31 120.51 3con h LEU 133 Ca 0.16 -0.13 0.07 0.00 0.84 0.00 0.00 57.88 58.82 3con h LEU 133 Cb 0.37 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.32 3con h LEU 133 CO 0.01 0.16 0.56 0.00 -0.34 0.00 0.00 178.44 178.82 3con h ALA 134 N 0.89 1.24 -0.39 1.25 0.00 -1.08 -0.70 119.26 120.47 3con h ALA 134 Ca 0.01 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3con h ALA 134 Cb 0.13 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3con h ALA 134 CO -0.00 0.29 -0.06 0.87 0.00 0.00 0.00 179.25 180.35 3con h LYS 135 N 1.00 0.66 0.00 0.00 1.57 -1.02 0.26 116.57 119.05 3con h LYS 135 Ca 0.39 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 3con h LYS 135 Cb 0.20 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 3con h LYS 135 CO -0.18 0.72 -0.05 0.77 -0.57 0.00 0.00 179.45 180.14 3con h SER 136 N 0.61 0.00 0.13 0.86 0.02 0.32 -2.66 113.55 112.84 3con h SER 136 Ca 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3con h SER 136 Cb 0.48 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.02 3con h SER 136 CO 0.03 0.05 -0.81 -1.22 -1.14 0.00 0.00 176.83 173.74 3con n TYR 137 N -4.45 0.00 -3.39 3.45 4.01 -0.74 -4.99 117.16 111.05 3con n TYR 137 Ca -0.03 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.48 3con n TYR 137 Cb 0.14 -0.07 0.06 0.00 -0.31 0.00 0.00 39.34 39.16 3con n TYR 137 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3con n GLY 138 N 1.49 -0.54 3.33 2.72 0.00 0.01 -5.04 105.19 107.16 3con n GLY 138 Ca 0.05 0.21 -0.18 0.00 0.00 0.00 0.00 46.02 46.10 3con n GLY 138 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3con s ILE 139 N -3.27 1.63 0.42 -0.61 -4.36 -0.75 -5.03 121.20 109.23 3con s ILE 139 Ca 0.49 -2.18 -0.25 0.00 -0.26 0.00 0.00 60.65 58.44 3con s ILE 139 Cb -0.22 -2.04 -0.08 0.00 1.25 0.00 0.00 42.46 41.37 3con s ILE 139 CO 0.60 -0.60 1.26 -2.84 0.24 0.00 0.00 174.94 173.60 3con s PRO 140 N -3.67 3.93 -0.17 0.37 0.02 -1.26 -4.48 135.00 129.74 3con s PRO 140 Ca 0.22 2.05 -0.05 0.00 0.02 0.00 0.00 61.00 63.24 3con s PRO 140 Cb 0.00 -2.68 -0.03 0.00 0.02 0.00 0.00 34.50 31.81 3con s PRO 140 CO 0.06 -0.49 -0.00 0.12 -0.33 0.00 0.00 177.00 176.36 3con s PHE 141 N -1.32 3.09 -0.06 6.54 5.36 -1.26 -1.04 117.98 129.29 3con s PHE 141 Ca 0.58 -0.22 0.02 0.00 -0.96 0.00 0.00 56.93 56.35 3con s PHE 141 Cb -0.36 -2.02 0.02 0.00 -0.34 0.00 0.00 43.02 40.32 3con s PHE 141 CO 0.45 -0.02 -0.10 0.42 -1.46 0.00 0.00 175.22 174.52 3con s ILE 142 N 0.48 0.94 -0.10 3.12 1.01 -0.11 -4.99 121.20 121.55 3con s ILE 142 Ca -0.01 -0.36 -0.22 0.00 0.00 0.00 0.00 60.65 60.06 3con s ILE 142 Cb -0.14 -0.88 -0.03 0.00 0.01 0.00 0.00 42.46 41.41 3con s ILE 142 CO 0.02 0.31 0.65 -1.83 0.00 0.00 0.00 174.94 174.09 3con s GLU 143 N 0.74 4.37 0.17 2.79 4.04 -1.26 -1.47 118.70 128.08 3con s GLU 143 Ca -0.13 0.75 0.06 0.00 0.04 0.00 0.00 54.97 55.68 3con s GLU 143 Cb -0.15 -3.47 -0.05 0.00 0.02 0.00 0.00 34.13 30.48 3con s GLU 143 CO 0.03 0.02 -0.12 0.95 -1.84 0.00 0.00 175.26 174.29 3con s THR 144 N 1.01 1.42 -0.21 1.83 -4.23 -0.16 -4.26 115.64 111.03 3con s THR 144 Ca 0.34 -2.12 -0.02 0.00 -1.18 0.00 0.00 61.69 58.71 3con s THR 144 Cb -0.17 -1.92 0.06 0.00 1.34 0.00 0.00 72.50 71.81 3con s THR 144 CO 0.15 -0.68 0.02 -0.55 -0.54 0.00 0.00 174.62 173.02 3con s SER 145 N -3.21 3.20 0.53 3.99 0.15 -0.31 -1.49 113.70 116.57 3con s SER 145 Ca 0.19 -0.95 0.23 0.00 0.70 0.00 0.00 55.95 56.11 3con s SER 145 Cb 0.01 -0.75 1.46 0.00 -1.71 0.00 0.00 66.02 65.03 3con s SER 145 CO 0.03 -0.29 2.15 0.00 1.20 0.00 0.00 173.24 176.33 3con h ALA 146 N 8.16 1.66 -0.18 5.45 0.00 -1.91 0.25 119.26 132.70 3con h ALA 146 Ca -0.16 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 3con h ALA 146 Cb 1.10 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3con h ALA 146 CO 0.36 0.06 -0.05 -0.22 0.00 0.00 0.00 179.25 179.41 3con h LYS 147 N 0.00 0.35 0.00 0.00 3.64 -1.94 -3.34 116.57 115.28 3con h LYS 147 Ca -0.00 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 3con h LYS 147 Cb 0.11 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 3con h LYS 147 CO 0.01 0.62 -1.50 0.25 -2.27 0.00 0.00 179.45 176.56 3con n THR 148 N -4.65 0.13 -0.38 1.00 -2.24 -1.13 -4.83 114.28 102.18 3con n THR 148 Ca -0.05 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 3con n THR 148 Cb 0.27 0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 3con n THR 148 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3con n ARG 149 N -2.14 0.00 -1.65 -0.78 0.63 0.87 -5.04 116.66 108.56 3con n ARG 149 Ca -0.01 0.00 -0.47 0.00 -0.92 0.00 0.00 57.85 56.45 3con n ARG 149 Cb 0.50 -1.42 -0.04 0.00 0.45 0.00 0.00 32.46 31.95 3con n ARG 149 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3con n GLN 150 N -2.00 1.82 -0.14 -0.14 10.64 -1.16 -2.14 117.38 124.26 3con n GLN 150 Ca 0.00 0.65 0.00 0.00 -1.83 0.00 0.00 57.00 55.82 3con n GLN 150 Cb 0.00 -2.32 0.00 0.00 -0.86 0.00 0.00 30.24 27.06 3con n GLN 150 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3con n GLY 151 N 2.57 1.64 0.15 2.61 0.00 -1.26 -1.16 105.19 109.74 3con n GLY 151 Ca 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 3con n GLY 151 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3con h VAL 152 N 0.00 0.88 -0.57 1.61 2.07 -1.74 0.73 116.25 119.24 3con h VAL 152 Ca 0.00 -0.64 0.06 0.00 0.82 0.00 0.00 66.70 66.94 3con h VAL 152 Cb 0.00 1.25 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 3con h VAL 152 CO 0.00 0.14 0.28 -0.33 0.02 0.00 0.00 177.57 177.68 3con h GLU 153 N -0.61 0.52 -0.82 1.57 5.08 -1.90 -2.59 114.58 115.83 3con h GLU 153 Ca -0.03 -0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.39 3con h GLU 153 Cb 0.44 -0.12 -0.07 0.00 0.50 0.00 0.00 28.75 29.50 3con h GLU 153 CO 0.05 0.34 0.48 0.22 -1.00 0.00 0.00 179.01 179.10 3con h ASP 154 N 0.54 0.70 0.17 1.42 3.58 -1.86 0.45 116.42 121.41 3con h ASP 154 Ca 0.26 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.74 3con h ASP 154 Cb 0.19 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.15 3con h ASP 154 CO -0.19 0.41 -0.08 0.00 -2.88 0.00 0.00 179.24 176.50 3con h ALA 155 N 1.44 -0.22 -0.37 -0.78 0.00 -0.49 0.50 119.26 119.34 3con h ALA 155 Ca 0.39 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 3con h ALA 155 Cb 0.32 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3con h ALA 155 CO -0.23 -0.52 -0.03 0.74 0.00 0.00 0.00 179.25 179.21 3con h PHE 156 N -0.44 0.74 -0.14 0.00 0.04 -1.18 -2.63 116.94 113.33 3con h PHE 156 Ca -0.02 -0.14 -0.17 0.00 2.80 0.00 0.00 57.97 60.44 3con h PHE 156 Cb 0.34 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.29 3con h PHE 156 CO -0.00 0.79 -0.61 1.88 -0.60 0.00 0.00 178.31 179.76 3con h TYR 157 N 0.48 0.63 -0.72 -0.55 -1.99 -0.08 -1.51 116.97 113.23 3con h TYR 157 Ca 0.10 -0.24 0.02 0.00 2.00 0.00 0.00 58.73 60.61 3con h TYR 157 Cb 0.51 -0.11 -0.04 0.00 2.00 0.00 0.00 36.73 39.09 3con h TYR 157 CO 0.04 0.97 0.46 1.15 -0.00 0.00 0.00 178.16 180.79 3con h THR 158 N 0.36 1.13 -0.19 -2.88 2.02 -0.90 0.49 112.91 112.93 3con h THR 158 Ca -0.01 -0.32 0.03 0.00 0.77 0.00 0.00 66.41 66.88 3con h THR 158 Cb 1.16 0.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.67 3con h THR 158 CO 0.11 0.17 0.02 0.25 0.37 0.00 0.00 175.52 176.44 3con h LEU 159 N 0.92 -0.02 -0.73 2.58 5.85 -1.16 0.18 115.31 122.93 3con h LEU 159 Ca 0.28 0.04 0.12 0.00 0.84 0.00 0.00 57.88 59.16 3con h LEU 159 Cb -0.03 0.05 -0.08 0.00 0.37 0.00 0.00 40.66 40.97 3con h LEU 159 CO -0.09 0.02 0.32 0.58 -0.34 0.00 0.00 178.44 178.92 3con h VAL 160 N 0.09 0.74 -0.29 1.05 2.07 -0.67 -0.23 116.25 119.02 3con h VAL 160 Ca 0.09 -0.17 -0.08 0.00 0.82 0.00 0.00 66.70 67.36 3con h VAL 160 Cb 0.10 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 3con h VAL 160 CO -0.13 0.09 -0.15 0.03 0.02 0.00 0.00 177.57 177.43 3con h ARG 161 N 0.50 0.50 -0.79 1.57 3.08 -0.21 0.24 114.38 119.28 3con h ARG 161 Ca 0.38 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 60.25 3con h ARG 161 Cb 0.51 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.48 3con h ARG 161 CO -0.34 0.64 0.37 0.93 -1.07 0.00 0.00 179.97 180.50 3con h GLU 162 N 0.46 1.14 -0.24 0.04 4.39 0.26 -1.35 114.58 119.28 3con h GLU 162 Ca 0.08 -0.17 -0.07 0.00 0.34 0.00 0.00 59.36 59.54 3con h GLU 162 Cb 0.53 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 3con h GLU 162 CO 0.03 0.88 -0.14 0.82 -1.16 0.00 0.00 179.01 179.44 3con h ILE 163 N 1.12 1.31 -0.52 3.13 2.04 -0.35 -1.41 117.51 122.83 3con h ILE 163 Ca 0.27 -1.24 0.10 0.00 1.00 0.00 0.00 64.86 64.99 3con h ILE 163 Cb 0.13 1.59 -0.08 0.00 -0.74 0.00 0.00 36.82 37.72 3con h ILE 163 CO -0.03 0.39 0.02 0.03 0.00 0.00 0.00 178.15 178.55 3con h ARG 164 N 0.24 0.14 -0.29 2.37 3.08 -0.86 0.13 114.38 119.18 3con h ARG 164 Ca 0.05 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 3con h ARG 164 Cb 0.66 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 3con h ARG 164 CO 0.04 0.09 0.18 1.96 -1.07 0.00 0.00 179.97 181.17 3con h GLN 165 N 0.14 0.40 -0.86 0.04 4.20 -1.06 -2.73 115.11 115.23 3con h GLN 165 Ca 0.27 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.95 3con h GLN 165 Cb 0.40 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.05 3con h GLN 165 CO -0.42 0.29 0.57 -0.92 -0.67 0.00 0.00 178.83 177.68 3con h TYR 166 N 0.38 1.09 0.00 2.96 3.20 -0.80 -3.51 116.97 120.28 3con h TYR 166 Ca 0.11 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.00 3con h TYR 166 Cb -0.01 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 37.90 3con h TYR 166 CO -0.05 0.69 0.00 0.54 -1.64 0.00 0.00 178.16 177.70