#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jat s LYS 2 N 0.00 3.19 -0.23 2.12 1.02 -1.26 -2.09 119.74 122.49 2jat s LYS 2 Ca 0.00 -0.73 0.00 0.00 0.02 0.00 0.00 55.97 55.26 2jat s LYS 2 Cb 0.00 -2.79 0.03 0.00 -0.52 0.00 0.00 37.83 34.56 2jat s LYS 2 CO 0.00 -0.19 -0.11 0.42 -0.92 0.00 0.00 175.35 174.54 2jat s ILE 3 N 1.36 2.49 0.07 2.17 1.01 -0.78 -0.60 121.20 126.93 2jat s ILE 3 Ca 0.05 -1.13 -0.20 0.00 0.00 0.00 0.00 60.65 59.36 2jat s ILE 3 Cb -0.14 -2.25 -0.06 0.00 0.01 0.00 0.00 42.46 40.02 2jat s ILE 3 CO -0.08 0.25 0.60 0.00 0.00 0.00 0.00 174.94 175.71 2jat s ALA 4 N 1.27 3.55 -0.14 9.38 0.00 -0.40 0.53 121.76 135.95 2jat s ALA 4 Ca -0.00 0.08 -0.01 0.00 0.00 0.00 0.00 51.96 52.02 2jat s ALA 4 Cb -0.16 -2.70 -0.02 0.00 0.00 0.00 0.00 23.12 20.24 2jat s ALA 4 CO -0.07 0.33 -0.12 0.42 0.00 0.00 0.00 175.76 176.32 2jat s ILE 5 N -0.89 3.15 -0.07 0.00 -1.09 0.14 -0.89 121.20 121.55 2jat s ILE 5 Ca 0.30 -0.62 -0.00 0.00 -2.23 0.00 0.00 60.65 58.10 2jat s ILE 5 Cb -0.20 -2.33 0.02 0.00 -1.58 0.00 0.00 42.46 38.37 2jat s ILE 5 CO 0.19 0.52 -0.04 0.12 -1.23 0.00 0.00 174.94 174.51 2jat s PHE 6 N 0.42 0.90 0.00 3.97 5.36 0.92 -1.73 117.98 127.82 2jat s PHE 6 Ca -0.09 -0.32 0.00 0.00 -0.96 0.00 0.00 56.93 55.56 2jat s PHE 6 Cb -0.16 -0.86 0.00 0.00 -0.34 0.00 0.00 43.02 41.67 2jat s PHE 6 CO 0.05 -0.32 0.00 0.41 -1.46 0.00 0.00 175.22 173.90 2jat n GLY 7 N 4.67 0.60 3.56 13.12 0.00 -1.26 -0.31 105.19 125.57 2jat n GLY 7 Ca -0.15 -1.12 -0.30 0.00 0.00 0.00 0.00 46.02 44.45 2jat n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2jat s THR 8 N -2.00 1.59 0.10 2.61 -1.32 -1.26 -4.89 115.64 110.47 2jat s THR 8 Ca 0.00 0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.17 2jat s THR 8 Cb 0.00 -2.42 -0.09 0.00 -1.51 0.00 0.00 72.50 68.47 2jat s THR 8 CO 0.00 0.00 1.75 -0.69 -2.21 0.00 0.00 174.62 173.47 2jat s VAL 9 N -2.89 2.74 0.00 5.08 1.01 -1.26 -2.45 120.40 122.62 2jat s VAL 9 Ca 0.70 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.91 2jat s VAL 9 Cb -0.11 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.12 2jat s VAL 9 CO 0.57 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.28 2jat n GLY 10 N 4.13 0.48 0.20 4.51 0.00 -1.26 -4.73 105.19 108.53 2jat n GLY 10 Ca 0.17 -0.49 -0.04 0.00 0.00 0.00 0.00 46.02 45.66 2jat n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jat h ALA 11 N 0.00 0.98 0.00 4.61 0.00 -1.81 -3.39 119.26 119.65 2jat h ALA 11 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2jat h ALA 11 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2jat h ALA 11 CO 0.00 0.63 0.00 0.41 0.00 0.00 0.00 179.25 180.29 2jat n GLY 12 N -0.06 1.56 0.09 0.00 0.00 -1.26 -4.96 105.19 100.56 2jat n GLY 12 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 2jat n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jat h LYS 13 N 0.00 0.16 -0.83 1.61 1.57 -1.91 0.18 116.57 117.35 2jat h LYS 13 Ca 0.00 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2jat h LYS 13 Cb 0.00 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.25 2jat h LYS 13 CO 0.00 0.37 0.46 0.66 -0.57 0.00 0.00 179.45 180.37 2jat h SER 14 N -0.08 1.02 0.39 0.86 4.64 -1.97 0.16 113.55 118.58 2jat h SER 14 Ca 0.03 -0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 61.24 2jat h SER 14 Cb 0.29 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2jat h SER 14 CO 0.00 0.82 -0.19 0.74 -0.87 0.00 0.00 176.83 177.33 2jat h THR 15 N 1.15 0.62 -0.61 2.95 2.02 -1.97 -1.18 112.91 115.88 2jat h THR 15 Ca 0.29 -0.23 0.02 0.00 0.77 0.00 0.00 66.41 67.26 2jat h THR 15 Cb 0.02 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 67.12 2jat h THR 15 CO -0.05 0.05 0.38 0.40 0.37 0.00 0.00 175.52 176.67 2jat h ILE 16 N -0.66 1.09 -0.17 3.11 1.08 -0.84 -2.22 117.51 118.90 2jat h ILE 16 Ca -0.05 -0.26 -0.17 0.00 -0.39 0.00 0.00 64.86 63.98 2jat h ILE 16 Cb 0.48 0.26 -0.00 0.00 -3.07 0.00 0.00 36.82 34.49 2jat h ILE 16 CO 0.09 0.14 -0.60 0.77 -0.69 0.00 0.00 178.15 177.86 2jat h SER 17 N 0.76 0.65 -0.25 1.72 4.64 -0.67 -0.44 113.55 119.96 2jat h SER 17 Ca 0.24 -0.37 -0.02 0.00 -0.47 0.00 0.00 61.79 61.18 2jat h SER 17 Cb -0.00 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 61.88 2jat h SER 17 CO -0.09 1.10 0.11 0.00 -0.87 0.00 0.00 176.83 177.08 2jat h ALA 18 N 0.91 1.64 -0.01 5.18 0.00 -1.12 0.01 119.26 125.86 2jat h ALA 18 Ca -0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2jat h ALA 18 Cb 1.16 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2jat h ALA 18 CO 0.11 0.29 -0.07 0.93 0.00 0.00 0.00 179.25 180.51 2jat h GLU 19 N 0.42 0.07 -0.66 0.00 4.39 -0.94 -2.71 114.58 115.14 2jat h GLU 19 Ca 0.11 -0.06 0.12 0.00 0.34 0.00 0.00 59.36 59.86 2jat h GLU 19 Cb 0.10 0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 28.68 2jat h GLU 19 CO -0.01 0.74 0.23 0.82 -1.16 0.00 0.00 179.01 179.63 2jat h ILE 20 N -0.59 0.70 -0.04 3.13 1.08 -0.93 -2.18 117.51 118.69 2jat h ILE 20 Ca -0.01 -0.13 0.03 0.00 -0.39 0.00 0.00 64.86 64.36 2jat h ILE 20 Cb 0.75 0.27 -0.04 0.00 -3.07 0.00 0.00 36.82 34.74 2jat h ILE 20 CO 0.01 0.07 -0.18 -1.28 -0.69 0.00 0.00 178.15 176.09 2jat h SER 21 N 0.39 -0.53 -0.94 1.72 0.87 -1.00 0.13 113.55 114.19 2jat h SER 21 Ca 0.35 0.08 0.12 0.00 -1.23 0.00 0.00 61.79 61.11 2jat h SER 21 Cb 0.49 0.23 -0.08 0.00 -0.44 0.00 0.00 62.40 62.59 2jat h SER 21 CO -0.36 -0.24 0.57 0.11 -0.53 0.00 0.00 176.83 176.38 2jat h LYS 22 N -0.27 0.88 -0.14 2.24 1.57 -1.12 0.89 116.57 120.61 2jat h LYS 22 Ca 0.07 -0.05 -0.18 0.00 -1.87 0.00 0.00 60.65 58.61 2jat h LYS 22 Cb 0.36 -0.20 0.01 0.00 0.08 0.00 0.00 32.23 32.48 2jat h LYS 22 CO -0.19 0.58 -0.61 0.87 -0.57 0.00 0.00 179.45 179.53 2jat h LYS 23 N 0.91 0.66 0.05 3.15 1.57 -0.71 -3.38 116.57 118.81 2jat h LYS 23 Ca 0.47 -0.53 -0.37 0.00 -1.87 0.00 0.00 60.65 58.36 2jat h LYS 23 Cb 0.48 0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.85 2jat h LYS 23 CO -0.27 1.14 -2.21 1.28 -0.57 0.00 0.00 179.45 178.82 2jat n LEU 24 N -4.10 2.32 0.00 2.94 4.77 0.37 -5.01 117.00 118.28 2jat n LEU 24 Ca -0.07 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2jat n LEU 24 Cb 0.66 -0.73 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 2jat n LEU 24 CO 0.49 0.81 0.00 0.61 -1.33 0.00 0.00 177.39 177.97 2jat n GLY 25 N 2.03 1.33 3.93 -0.72 0.00 0.30 -5.07 105.19 107.00 2jat n GLY 25 Ca -0.36 -0.08 -0.28 0.00 0.00 0.00 0.00 46.02 45.29 2jat n GLY 25 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jat s TYR 26 N -2.00 3.49 0.56 1.61 4.12 -1.23 -5.06 117.35 118.84 2jat s TYR 26 Ca 0.00 0.23 -0.16 0.00 0.02 0.00 0.00 57.07 57.17 2jat s TYR 26 Cb 0.00 -1.76 -0.06 0.00 -1.52 0.00 0.00 41.96 38.63 2jat s TYR 26 CO 0.00 0.50 1.01 -1.83 0.02 0.00 0.00 175.55 175.25 2jat s GLU 27 N -3.02 3.68 -0.19 -0.62 -1.05 -1.26 -4.66 118.70 111.58 2jat s GLU 27 Ca 0.36 1.01 -0.06 0.00 -0.15 0.00 0.00 54.97 56.13 2jat s GLU 27 Cb -0.12 -2.09 -0.03 0.00 -0.44 0.00 0.00 34.13 31.45 2jat s GLU 27 CO 0.28 -0.50 0.03 0.42 0.95 0.00 0.00 175.26 176.44 2jat s ILE 28 N -2.64 4.37 -0.45 1.83 1.01 -1.26 -1.18 121.20 122.88 2jat s ILE 28 Ca 0.60 -0.18 -0.24 0.00 0.00 0.00 0.00 60.65 60.83 2jat s ILE 28 Cb -0.12 -2.97 0.03 0.00 0.01 0.00 0.00 42.46 39.40 2jat s ILE 28 CO 0.36 0.44 0.83 -0.36 0.00 0.00 0.00 174.94 176.21 2jat s PHE 29 N 0.68 2.97 -0.31 3.97 0.40 0.20 -4.96 117.98 120.93 2jat s PHE 29 Ca 0.01 0.25 -0.02 0.00 -0.60 0.00 0.00 56.93 56.57 2jat s PHE 29 Cb -0.14 -3.76 0.11 0.00 0.51 0.00 0.00 43.02 39.74 2jat s PHE 29 CO 0.02 -1.02 0.13 0.21 0.70 0.00 0.00 175.22 175.26 2jat s LYS 30 N 3.44 0.47 -0.49 0.44 2.20 -1.26 -1.27 119.74 123.28 2jat s LYS 30 Ca 0.32 -0.88 -0.26 0.00 -0.36 0.00 0.00 55.97 54.79 2jat s LYS 30 Cb -0.11 -1.54 -0.06 0.00 -1.51 0.00 0.00 37.83 34.61 2jat s LYS 30 CO 0.24 -1.03 2.31 -1.21 -0.36 0.00 0.00 175.35 175.29 2jat s GLU 31 N 1.74 2.26 -0.12 4.03 0.41 -1.26 -4.90 118.70 120.86 2jat s GLU 31 Ca 0.11 1.34 -0.30 0.00 -0.41 0.00 0.00 54.97 55.71 2jat s GLU 31 Cb -0.18 -4.54 -0.02 0.00 -1.78 0.00 0.00 34.13 27.62 2jat s GLU 31 CO -0.27 -3.10 1.12 -1.25 -0.49 0.00 0.00 175.26 171.27 2jat s PRO 32 N 7.92 4.34 0.55 0.39 0.04 -1.26 -4.88 135.00 142.10 2jat s PRO 32 Ca 0.93 1.53 0.26 0.00 0.04 0.00 0.00 61.00 63.75 2jat s PRO 32 Cb -0.18 -3.60 1.47 0.00 0.04 0.00 0.00 34.50 32.24 2jat s PRO 32 CO 0.26 -0.48 2.04 0.28 0.04 0.00 0.00 177.00 179.14 2jat h VAL 33 N 5.19 0.64 0.00 -0.36 2.07 -1.96 -2.07 116.25 119.76 2jat h VAL 33 Ca -0.29 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.23 2jat h VAL 33 Cb 1.13 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 2jat h VAL 33 CO 0.90 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 177.87 2jat n GLU 34 N -4.15 0.19 -0.01 1.57 1.02 -1.26 -2.87 120.64 115.14 2jat n GLU 34 Ca 0.06 0.29 0.10 0.00 -0.02 0.00 0.00 57.16 57.58 2jat n GLU 34 Cb 0.46 -1.79 -0.15 0.00 -0.02 0.00 0.00 31.44 29.94 2jat n GLU 34 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2jat n GLU 35 N -2.14 0.59 -1.89 3.49 1.02 -0.79 -4.91 120.64 116.01 2jat n GLU 35 Ca 0.04 -0.18 -0.43 0.00 -0.02 0.00 0.00 57.16 56.58 2jat n GLU 35 Cb 0.32 -1.46 -0.03 0.00 -0.02 0.00 0.00 31.44 30.25 2jat n GLU 35 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2jat s ASN 36 N -4.23 5.76 0.00 1.62 3.84 -1.14 -4.87 114.94 115.92 2jat s ASN 36 Ca -0.07 1.44 0.28 0.00 0.21 0.00 0.00 52.86 54.73 2jat s ASN 36 Cb 0.12 -2.52 1.65 0.00 -0.55 0.00 0.00 41.25 39.95 2jat s ASN 36 CO 0.81 -1.79 2.03 -0.81 -2.79 0.00 0.00 177.10 174.55 2jat n PRO 37 N 8.53 0.80 -0.01 0.43 -0.05 -1.26 -2.79 135.00 140.65 2jat n PRO 37 Ca 0.25 0.01 0.03 0.00 -0.05 0.00 0.00 63.50 63.73 2jat n PRO 37 Cb 0.46 -1.50 -0.12 0.00 -0.05 0.00 0.00 33.50 32.29 2jat n PRO 37 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 175.50 176.11 2jat n TYR 38 N -1.05 0.37 -0.32 0.54 4.02 -1.26 -4.61 117.16 114.85 2jat n TYR 38 Ca 0.20 0.12 0.06 0.00 -0.01 0.00 0.00 57.90 58.26 2jat n TYR 38 Cb 0.12 -0.83 0.25 0.00 -0.02 0.00 0.00 39.34 38.87 2jat n TYR 38 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 176.86 176.20 2jat h PHE 39 N 0.00 1.05 -0.64 -0.72 3.57 -1.85 -1.52 116.94 116.83 2jat h PHE 39 Ca -0.18 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.28 2jat h PHE 39 Cb 1.45 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 39.83 2jat h PHE 39 CO 0.00 0.50 0.11 1.49 -2.23 0.00 0.00 178.31 178.18 2jat h GLU 40 N 0.99 1.05 0.00 1.11 4.81 -1.81 -2.81 114.58 117.92 2jat h GLU 40 Ca 0.43 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 2jat h GLU 40 Cb 0.33 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.58 2jat h GLU 40 CO -0.18 0.97 -0.80 1.04 -0.73 0.00 0.00 179.01 179.31 2jat n GLN 41 N -4.26 0.28 -0.09 1.92 1.13 -1.06 -4.63 117.38 110.67 2jat n GLN 41 Ca 0.04 0.04 -0.14 0.00 -1.94 0.00 0.00 57.00 55.00 2jat n GLN 41 Cb 0.28 -1.64 -0.10 0.00 0.11 0.00 0.00 30.24 28.89 2jat n GLN 41 CO 0.00 0.00 0.00 -0.92 -1.44 0.00 0.00 177.06 174.70 2jat h TYR 42 N 0.00 -1.64 0.00 1.08 3.20 -1.00 -2.25 116.97 116.35 2jat h TYR 42 Ca 0.00 0.07 -0.05 0.00 3.14 0.00 0.00 58.73 61.89 2jat h TYR 42 Cb 0.73 0.76 -0.01 0.00 1.54 0.00 0.00 36.73 39.75 2jat h TYR 42 CO 0.00 -0.50 -0.23 1.88 -1.64 0.00 0.00 178.16 177.67 2jat h TYR 43 N -0.46 0.00 0.00 -3.82 -1.99 -1.82 -3.18 116.97 105.70 2jat h TYR 43 Ca 0.06 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.78 2jat h TYR 43 Cb 0.62 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.35 2jat h TYR 43 CO -0.67 0.23 -0.02 0.87 -0.00 0.00 0.00 178.16 178.57 2jat h LYS 44 N 0.00 0.00 -0.67 4.88 1.57 -1.68 -3.38 116.57 117.28 2jat h LYS 44 Ca -0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 2jat h LYS 44 Cb 0.84 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 32.99 2jat h LYS 44 CO 0.03 0.02 -0.35 -3.47 -0.57 0.00 0.00 179.45 175.11 2jat n ASP 45 N -3.19 -2.68 -0.25 0.86 -0.08 -1.20 -5.06 116.55 104.94 2jat n ASP 45 Ca -0.02 -2.17 -0.05 0.00 -1.51 0.00 0.00 54.79 51.05 2jat n ASP 45 Cb 0.18 1.36 0.06 0.00 2.34 0.00 0.00 41.12 45.06 2jat n ASP 45 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 2jat h LEU 46 N 4.66 0.78 -0.29 -2.67 4.07 -1.74 -2.85 115.31 117.27 2jat h LEU 46 Ca 0.03 -0.02 0.07 0.00 0.08 0.00 0.00 57.88 58.04 2jat h LEU 46 Cb 1.13 -0.19 -0.07 0.00 1.08 0.00 0.00 40.66 42.61 2jat h LEU 46 CO -0.03 0.56 -0.21 0.11 -1.08 0.00 0.00 178.44 177.79 2jat h LYS 47 N 0.93 -0.18 -0.62 1.13 1.57 -1.91 -1.83 116.57 115.65 2jat h LYS 47 Ca 0.26 0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.96 2jat h LYS 47 Cb -0.09 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 2jat h LYS 47 CO -0.06 -0.12 0.04 0.87 -0.57 0.00 0.00 179.45 179.61 2jat h LYS 48 N -0.19 1.06 0.03 3.15 1.57 -1.85 -3.39 116.57 116.96 2jat h LYS 48 Ca 0.16 -0.31 -0.36 0.00 -1.87 0.00 0.00 60.65 58.26 2jat h LYS 48 Cb 0.43 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.57 2jat h LYS 48 CO -0.41 1.01 -2.21 2.41 -0.57 0.00 0.00 179.45 179.68 2jat n THR 49 N -4.19 1.56 -0.11 -0.16 -1.04 -1.08 -4.64 114.28 104.62 2jat n THR 49 Ca 0.04 -0.70 -0.08 0.00 -2.04 0.00 0.00 64.05 61.27 2jat n THR 49 Cb 0.32 -1.22 -0.02 0.00 -1.82 0.00 0.00 70.33 67.59 2jat n THR 49 CO 0.00 0.00 0.00 1.62 -0.64 0.00 0.00 175.07 176.05 2jat h VAL 50 N 0.02 0.21 0.15 12.58 3.04 -1.53 -0.63 116.25 130.09 2jat h VAL 50 Ca -0.49 0.00 0.01 0.00 -1.01 0.00 0.00 66.70 65.21 2jat h VAL 50 Cb 2.03 0.21 -0.03 0.00 -2.01 0.00 0.00 31.29 31.49 2jat h VAL 50 CO 0.01 0.00 -0.42 0.15 -1.01 0.00 0.00 177.57 176.30 2jat h PHE 51 N -0.27 -1.20 -0.70 3.17 3.57 -1.83 0.35 116.94 120.02 2jat h PHE 51 Ca 0.16 0.03 0.15 0.00 3.53 0.00 0.00 57.97 61.84 2jat h PHE 51 Cb 0.55 0.50 -0.11 0.00 2.79 0.00 0.00 35.95 39.68 2jat h PHE 51 CO -0.54 -0.49 0.07 0.87 -2.23 0.00 0.00 178.31 175.99 2jat h LYS 52 N -0.64 0.16 -0.10 1.11 1.57 -1.80 -1.59 116.57 115.28 2jat h LYS 52 Ca -0.01 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.78 2jat h LYS 52 Cb 0.62 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.87 2jat h LYS 52 CO -0.19 0.11 -0.07 1.98 -0.57 0.00 0.00 179.45 180.71 2jat h MET 53 N 0.16 -0.07 0.00 3.15 4.05 -0.04 -0.27 114.93 121.92 2jat h MET 53 Ca 0.38 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.78 2jat h MET 53 Cb 0.65 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.46 2jat h MET 53 CO -0.56 -0.04 -0.11 1.96 0.23 0.00 0.00 176.91 178.38 2jat h GLN 54 N -0.07 0.00 -0.09 0.39 1.08 0.43 -1.45 115.11 115.40 2jat h GLN 54 Ca 0.06 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.16 2jat h GLN 54 Cb 0.16 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 2jat h GLN 54 CO -0.15 0.11 -0.35 0.82 -0.95 0.00 0.00 178.83 178.31 2jat h ILE 55 N 0.00 1.40 -0.50 2.54 1.08 -0.76 -2.89 117.51 118.38 2jat h ILE 55 Ca -0.00 -1.71 0.07 0.00 -0.39 0.00 0.00 64.86 62.83 2jat h ILE 55 Cb 0.21 2.23 -0.03 0.00 -3.07 0.00 0.00 36.82 36.17 2jat h ILE 55 CO 0.01 0.50 0.33 0.22 -0.69 0.00 0.00 178.15 178.53 2jat h TYR 56 N -0.05 0.41 -0.07 1.37 3.20 -0.32 -2.18 116.97 119.33 2jat h TYR 56 Ca -0.02 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.78 2jat h TYR 56 Cb 0.99 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 39.12 2jat h TYR 56 CO 0.12 0.22 -0.29 0.52 -1.64 0.00 0.00 178.16 177.09 2jat h MET 57 N 0.41 0.32 -0.22 1.82 2.86 -1.24 -1.10 114.93 117.78 2jat h MET 57 Ca 0.22 -0.25 0.02 0.00 -2.06 0.00 0.00 59.70 57.63 2jat h MET 57 Cb 0.34 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 2jat h MET 57 CO -0.06 0.89 0.08 -0.07 1.06 0.00 0.00 176.91 178.81 2jat h LEU 58 N -0.18 0.09 -0.66 1.22 3.38 -1.27 0.89 115.31 118.77 2jat h LEU 58 Ca -0.02 0.02 0.14 0.00 0.09 0.00 0.00 57.88 58.12 2jat h LEU 58 Cb 0.94 0.01 -0.11 0.00 0.09 0.00 0.00 40.66 41.59 2jat h LEU 58 CO 0.06 0.08 0.03 0.74 0.09 0.00 0.00 178.44 179.44 2jat h THR 59 N 0.18 0.47 -0.11 0.22 2.02 -1.37 0.97 112.91 115.29 2jat h THR 59 Ca 0.10 -0.05 -0.04 0.00 0.77 0.00 0.00 66.41 67.18 2jat h THR 59 Cb 0.06 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 66.79 2jat h THR 59 CO -0.10 0.03 -0.10 0.00 0.37 0.00 0.00 175.52 175.71 2jat h ALA 60 N 1.59 0.17 -0.07 6.16 0.00 -0.66 -1.87 119.26 124.58 2jat h ALA 60 Ca 0.35 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2jat h ALA 60 Cb 0.58 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2jat h ALA 60 CO -0.55 0.00 -0.13 -0.09 0.00 0.00 0.00 179.25 178.49 2jat h ARG 61 N -0.12 0.10 0.02 0.00 9.65 -0.63 -2.23 114.38 121.18 2jat h ARG 61 Ca 0.02 -0.02 -0.23 0.00 -1.10 0.00 0.00 59.98 58.65 2jat h ARG 61 Cb 0.61 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 29.15 2jat h ARG 61 CO 0.03 0.24 -1.11 0.77 2.80 0.00 0.00 179.97 182.70 2jat h SER 62 N 0.10 0.07 0.14 -3.80 0.02 -0.73 -3.14 113.55 106.21 2jat h SER 62 Ca 0.02 -0.08 -0.16 0.00 -0.84 0.00 0.00 61.79 60.72 2jat h SER 62 Cb 0.30 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 2jat h SER 62 CO 0.02 1.07 -0.61 0.50 -1.14 0.00 0.00 176.83 176.67 2jat h LYS 63 N 0.01 0.47 -0.48 3.45 3.64 -1.11 -3.03 116.57 119.52 2jat h LYS 63 Ca -0.06 -0.32 -0.08 0.00 -1.27 0.00 0.00 60.65 58.93 2jat h LYS 63 Cb 1.83 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.67 2jat h LYS 63 CO 0.14 0.93 -0.01 -0.56 -2.27 0.00 0.00 179.45 177.67 2jat h GLN 64 N 0.35 0.81 0.00 1.90 3.07 -1.44 -2.97 115.11 116.82 2jat h GLN 64 Ca -0.01 -0.23 -0.01 0.00 0.09 0.00 0.00 58.65 58.49 2jat h GLN 64 Cb 1.15 -0.09 -0.00 0.00 0.08 0.00 0.00 27.48 28.62 2jat h GLN 64 CO 0.11 0.82 -0.06 -0.07 0.09 0.00 0.00 178.83 179.72 2jat h LEU 65 N 0.75 0.00 -0.33 0.06 3.38 -1.48 0.90 115.31 118.60 2jat h LEU 65 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2jat h LEU 65 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2jat h LEU 65 CO 0.02 0.06 0.00 0.29 0.09 0.00 0.00 178.44 178.90 2jat n LYS 66 N -3.30 0.48 -3.88 1.13 5.02 -1.12 -5.08 118.16 111.41 2jat n LYS 66 Ca -0.01 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.01 2jat n LYS 66 Cb 0.24 -1.08 -0.17 0.00 -0.02 0.00 0.00 35.03 34.00 2jat n LYS 66 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2jat s GLN 67 N -1.67 1.40 0.00 1.97 -0.21 0.31 -5.13 119.66 116.32 2jat s GLN 67 Ca 0.00 -0.37 0.00 0.00 0.02 0.00 0.00 55.36 55.01 2jat s GLN 67 Cb 0.00 -1.78 0.00 0.00 1.00 0.00 0.00 33.01 32.23 2jat s GLN 67 CO 0.00 -0.37 0.00 -0.11 -2.12 0.00 0.00 175.29 172.69 2jat n LEU 71 N 4.92 0.00 -0.01 2.90 0.00 -1.26 -5.16 117.00 118.39 2jat n LEU 71 Ca -0.12 0.00 -0.17 0.00 0.00 0.00 0.00 56.01 55.73 2jat n LEU 71 Cb 0.49 0.00 -0.10 0.00 0.00 0.00 0.00 43.42 43.81 2jat n LEU 71 CO 0.16 0.00 0.31 -0.33 0.00 0.00 0.00 177.39 177.53 2jat h GLU 72 N 0.00 0.48 -4.97 1.96 5.08 -2.06 -3.44 114.58 111.62 2jat h GLU 72 Ca 0.00 -0.44 -0.67 0.00 -1.00 0.00 0.00 59.36 57.25 2jat h GLU 72 Cb 0.00 0.11 -0.34 0.00 0.50 0.00 0.00 28.75 29.02 2jat h GLU 72 CO 0.00 1.08 -0.80 -0.80 -1.00 0.00 0.00 179.01 177.49 2jat s ASN 73 N -6.72 3.83 0.03 1.42 0.01 -1.26 -1.98 114.94 110.29 2jat s ASN 73 Ca -0.13 -0.83 0.01 0.00 -0.71 0.00 0.00 52.86 51.20 2jat s ASN 73 Cb 0.05 -1.57 -0.02 0.00 0.41 0.00 0.00 41.25 40.11 2jat s ASN 73 CO 0.83 -0.07 -0.05 -0.63 -1.51 0.00 0.00 177.10 175.66 2jat s ILE 74 N 1.28 0.31 -0.12 0.60 -1.09 -0.89 -4.28 121.20 117.02 2jat s ILE 74 Ca 0.01 -1.10 0.02 0.00 -2.23 0.00 0.00 60.65 57.35 2jat s ILE 74 Cb -0.15 -0.57 0.01 0.00 -1.58 0.00 0.00 42.46 40.17 2jat s ILE 74 CO -0.08 -0.51 -0.18 -0.63 -1.23 0.00 0.00 174.94 172.31 2jat s ILE 75 N -1.74 1.73 -0.38 2.92 1.01 -0.33 -1.86 121.20 122.55 2jat s ILE 75 Ca -0.10 -0.78 -0.13 0.00 0.00 0.00 0.00 60.65 59.63 2jat s ILE 75 Cb -0.08 -1.56 0.01 0.00 0.01 0.00 0.00 42.46 40.84 2jat s ILE 75 CO -0.01 0.49 0.26 -0.36 0.00 0.00 0.00 174.94 175.31 2jat s PHE 76 N 0.95 3.23 -0.91 3.97 0.40 0.19 0.58 117.98 126.39 2jat s PHE 76 Ca -0.06 -0.62 -0.23 0.00 -0.60 0.00 0.00 56.93 55.43 2jat s PHE 76 Cb -0.15 -2.51 0.07 0.00 0.51 0.00 0.00 43.02 40.93 2jat s PHE 76 CO -0.02 -0.55 1.29 0.34 0.70 0.00 0.00 175.22 176.97 2jat s ASP 77 N 1.65 6.43 0.00 1.36 2.15 -0.39 0.26 116.67 128.12 2jat s ASP 77 Ca 0.04 -1.35 0.00 0.00 0.43 0.00 0.00 52.55 51.68 2jat s ASP 77 Cb -0.19 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 39.92 2jat s ASP 77 CO 0.09 -1.46 0.00 -1.14 -0.17 0.00 0.00 175.17 172.49 2jat n ARG 78 N 8.32 0.00 -4.67 4.34 3.00 -0.71 -4.62 116.66 122.33 2jat n ARG 78 Ca 0.21 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.76 2jat n ARG 78 Cb 0.50 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.88 2jat n ARG 78 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 2jat s THR 79 N -2.33 0.97 -0.75 5.15 -4.23 -1.26 -4.85 115.64 108.33 2jat s THR 79 Ca 0.00 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 58.69 2jat s THR 79 Cb 0.00 -2.24 0.18 0.00 1.34 0.00 0.00 72.50 71.78 2jat s THR 79 CO 0.00 0.00 1.57 -0.11 -0.54 0.00 0.00 174.62 175.54 2jat n LEU 80 N -1.14 0.31 0.15 4.79 7.94 -1.26 -2.30 117.00 125.49 2jat n LEU 80 Ca -0.14 0.58 0.00 0.00 -1.11 0.00 0.00 56.01 55.34 2jat n LEU 80 Cb 0.66 -0.54 0.26 0.00 0.53 0.00 0.00 43.42 44.34 2jat n LEU 80 CO 0.37 -0.41 0.63 -0.07 -1.11 0.00 0.00 177.39 176.81 2jat h LEU 81 N 0.00 0.07 0.00 -1.96 3.38 -2.02 -3.30 115.31 111.49 2jat h LEU 81 Ca 0.00 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 2jat h LEU 81 Cb 0.29 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2jat h LEU 81 CO 0.00 0.52 -1.06 -0.33 0.09 0.00 0.00 178.44 177.66 2jat h GLU 82 N 0.06 0.00 -0.03 1.13 5.08 -1.87 -3.37 114.58 115.58 2jat h GLU 82 Ca 0.00 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2jat h GLU 82 Cb 0.83 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 2jat h GLU 82 CO 0.06 0.12 -0.10 -0.44 -1.00 0.00 0.00 179.01 177.64 2jat h ASP 83 N 0.00 -0.30 -0.07 1.42 3.32 -1.64 -1.88 116.42 117.26 2jat h ASP 83 Ca -0.05 0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.07 2jat h ASP 83 Cb 1.21 0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.89 2jat h ASP 83 CO 0.02 -0.15 0.14 -0.65 -1.72 0.00 0.00 179.24 176.88 2jat h PRO 84 N -0.16 0.00 -0.55 3.56 0.11 -1.77 -1.26 132.00 131.93 2jat h PRO 84 Ca 0.05 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.17 2jat h PRO 84 Cb 0.23 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.31 2jat h PRO 84 CO -0.13 0.00 0.36 0.82 -0.21 0.00 0.00 178.00 178.84 2jat h ILE 85 N 0.00 1.13 -0.72 4.15 2.04 -1.54 -1.80 117.51 120.78 2jat h ILE 85 Ca 0.04 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.60 2jat h ILE 85 Cb 0.32 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 2jat h ILE 85 CO -0.00 0.13 0.28 -0.26 0.00 0.00 0.00 178.15 178.30 2jat h PHE 86 N 0.74 1.08 -0.47 1.37 -1.00 -1.20 -1.83 116.94 115.63 2jat h PHE 86 Ca 0.20 -0.08 -0.10 0.00 2.81 0.00 0.00 57.97 60.81 2jat h PHE 86 Cb -0.07 -0.33 -0.02 0.00 3.61 0.00 0.00 35.95 39.14 2jat h PHE 86 CO -0.04 0.83 -0.11 1.98 -1.61 0.00 0.00 178.31 179.36 2jat h MET 87 N 1.04 0.85 -0.50 1.51 4.05 -1.45 -2.90 114.93 117.54 2jat h MET 87 Ca 0.24 -0.29 -0.12 0.00 -0.28 0.00 0.00 59.70 59.25 2jat h MET 87 Cb 0.21 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.92 2jat h MET 87 CO -0.02 0.92 -0.16 -0.22 0.23 0.00 0.00 176.91 177.66 2jat h LYS 88 N 0.77 0.98 -0.21 0.39 3.64 -1.05 -2.18 116.57 118.91 2jat h LYS 88 Ca 0.13 -0.39 0.04 0.00 -1.27 0.00 0.00 60.65 59.16 2jat h LYS 88 Cb 0.61 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.34 2jat h LYS 88 CO 0.04 1.06 -0.05 0.28 -2.27 0.00 0.00 179.45 178.51 2jat h VAL 89 N 0.86 0.79 0.00 2.00 2.07 -1.27 -0.80 116.25 119.90 2jat h VAL 89 Ca 0.12 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.60 2jat h VAL 89 Cb 0.73 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 2jat h VAL 89 CO 0.06 0.00 -0.22 0.78 0.02 0.00 0.00 177.57 178.21 2jat h ASN 90 N -0.00 0.00 -0.04 0.57 2.35 -1.40 -2.22 115.58 114.83 2jat h ASN 90 Ca 0.10 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.82 2jat h ASN 90 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.53 2jat h ASN 90 CO -0.22 0.22 -0.09 0.22 -1.65 0.00 0.00 177.43 175.91 2jat h TYR 91 N 0.00 0.18 0.00 1.19 3.20 -0.78 0.51 116.97 121.27 2jat h TYR 91 Ca -0.00 -0.07 -0.02 0.00 3.14 0.00 0.00 58.73 61.78 2jat h TYR 91 Cb 0.52 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.75 2jat h TYR 91 CO 0.00 0.69 -0.09 -0.44 -1.64 0.00 0.00 178.16 176.67 2jat h ASP 92 N -0.38 0.00 -0.10 -2.11 3.32 -1.00 -0.62 116.42 115.53 2jat h ASP 92 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2jat h ASP 92 Cb 0.68 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.23 2jat h ASP 92 CO 0.02 0.09 0.00 0.18 -1.72 0.00 0.00 179.24 177.81 2jat n LEU 93 N -4.30 0.92 -3.06 1.55 4.77 -0.85 -4.92 117.00 111.10 2jat n LEU 93 Ca -0.03 -0.39 -0.22 0.00 -0.03 0.00 0.00 56.01 55.34 2jat n LEU 93 Cb 0.17 -0.07 0.03 0.00 -2.33 0.00 0.00 43.42 41.22 2jat n LEU 93 CO 0.34 0.20 -0.02 0.59 -1.33 0.00 0.00 177.39 177.17 2jat n ASN 94 N -0.16 -5.69 -0.68 -1.43 3.02 -0.24 -4.90 115.26 105.19 2jat n ASN 94 Ca 0.14 -0.29 0.11 0.00 -0.03 0.00 0.00 54.58 54.51 2jat n ASN 94 Cb 0.20 -4.61 0.04 0.00 -0.61 0.00 0.00 39.78 34.79 2jat n ASN 94 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2jat n ASN 95 N -2.47 2.41 -3.67 6.41 5.03 0.18 -4.81 115.26 118.35 2jat n ASN 95 Ca -0.10 -1.71 -0.08 0.00 0.87 0.00 0.00 54.58 53.56 2jat n ASN 95 Cb 0.61 0.29 -0.09 0.00 -1.02 0.00 0.00 39.78 39.57 2jat n ASN 95 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2jat s VAL 96 N -2.29 -0.44 1.09 2.41 1.01 -1.18 -4.23 120.40 116.76 2jat s VAL 96 Ca 0.22 0.12 -0.15 0.00 0.00 0.00 0.00 61.98 62.18 2jat s VAL 96 Cb 0.19 -0.70 0.23 0.00 0.00 0.00 0.00 36.38 36.10 2jat s VAL 96 CO 0.47 0.05 1.09 1.51 0.00 0.00 0.00 175.10 178.21 2jat s ASP 97 N 2.20 1.87 0.14 3.32 1.47 -1.26 -4.52 116.67 119.89 2jat s ASP 97 Ca -0.05 1.03 -0.24 0.00 1.18 0.00 0.00 52.55 54.48 2jat s ASP 97 Cb -0.10 -1.59 0.00 0.00 -0.34 0.00 0.00 42.92 40.89 2jat s ASP 97 CO -0.14 -3.58 1.63 1.56 0.68 0.00 0.00 175.17 175.32 2jat h GLN 98 N -2.20 -0.29 -0.10 2.11 1.08 -1.99 -1.55 115.11 112.18 2jat h GLN 98 Ca -0.53 0.02 0.03 0.00 -1.45 0.00 0.00 58.65 56.72 2jat h GLN 98 Cb 1.32 0.07 -0.06 0.00 -0.05 0.00 0.00 27.48 28.76 2jat h GLN 98 CO 0.50 -0.19 -0.50 1.15 -0.95 0.00 0.00 178.83 178.84 2jat h THR 99 N -0.30 0.00 -0.18 -0.54 2.02 -1.99 0.15 112.91 112.08 2jat h THR 99 Ca 0.11 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.34 2jat h THR 99 Cb 0.47 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 2jat h THR 99 CO -0.34 0.00 0.15 0.44 0.37 0.00 0.00 175.52 176.14 2jat h ASP 100 N -0.56 0.00 0.01 4.18 3.32 -1.88 -0.30 116.42 121.19 2jat h ASP 100 Ca 0.02 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.84 2jat h ASP 100 Cb 0.63 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.20 2jat h ASP 100 CO -0.39 0.00 -0.92 0.22 -1.72 0.00 0.00 179.24 176.44 2jat h TYR 101 N 0.00 0.91 -0.70 4.55 3.20 -0.38 -3.11 116.97 121.44 2jat h TYR 101 Ca 0.08 -0.50 -0.02 0.00 3.14 0.00 0.00 58.73 61.43 2jat h TYR 101 Cb 0.39 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.52 2jat h TYR 101 CO 0.00 1.33 0.33 -0.91 -1.64 0.00 0.00 178.16 177.28 2jat h ASN 102 N 0.23 0.89 -0.24 -2.11 -0.26 0.70 -1.91 115.58 112.88 2jat h ASN 102 Ca -0.12 -0.10 -0.01 0.00 -0.56 0.00 0.00 56.30 55.52 2jat h ASN 102 Cb 1.59 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 38.61 2jat h ASN 102 CO 0.18 0.76 0.13 0.74 -1.06 0.00 0.00 177.43 178.18 2jat h THR 103 N 0.99 1.12 0.36 2.81 2.02 -1.17 -0.99 112.91 118.04 2jat h THR 103 Ca 0.24 -0.32 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 2jat h THR 103 Cb 0.10 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 2jat h THR 103 CO -0.03 0.12 -0.17 0.22 0.37 0.00 0.00 175.52 176.03 2jat h TYR 104 N 0.28 -0.44 0.02 3.16 3.20 -1.44 -0.15 116.97 121.59 2jat h TYR 104 Ca 0.09 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.95 2jat h TYR 104 Cb 0.07 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 2jat h TYR 104 CO -0.03 -0.17 -0.06 0.82 -1.64 0.00 0.00 178.16 177.08 2jat h ILE 105 N -0.67 0.84 -0.07 1.81 1.08 -1.37 1.46 117.51 120.59 2jat h ILE 105 Ca -0.05 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.45 2jat h ILE 105 Cb 0.48 0.84 -0.06 0.00 -3.07 0.00 0.00 36.82 35.01 2jat h ILE 105 CO 0.08 0.00 -0.51 -0.78 -0.69 0.00 0.00 178.15 176.25 2jat h ASP 106 N -0.12 -1.59 -0.21 1.72 3.58 -1.21 -2.35 116.42 116.24 2jat h ASP 106 Ca 0.02 0.18 0.02 0.00 0.42 0.00 0.00 57.03 57.68 2jat h ASP 106 Cb 0.14 0.61 -0.03 0.00 1.72 0.00 0.00 39.33 41.77 2jat h ASP 106 CO -0.05 -0.47 -0.20 0.15 -2.88 0.00 0.00 179.24 175.78 2jat h PHE 107 N -0.59 -0.63 -0.98 0.28 3.57 -0.75 -1.79 116.94 116.05 2jat h PHE 107 Ca 0.02 0.03 0.35 0.00 3.53 0.00 0.00 57.97 61.91 2jat h PHE 107 Cb 0.66 0.30 -0.18 0.00 2.79 0.00 0.00 35.95 39.52 2jat h PHE 107 CO -0.55 -0.16 0.31 0.98 -2.23 0.00 0.00 178.31 176.67 2jat n TYR 108 N -3.70 0.93 0.04 0.41 9.36 0.50 0.07 117.16 124.77 2jat n TYR 108 Ca -0.01 1.17 -0.19 0.00 3.32 0.00 0.00 57.90 62.20 2jat n TYR 108 Cb 0.11 -1.43 -0.14 0.00 -0.63 0.00 0.00 39.34 37.25 2jat n TYR 108 CO 0.00 0.00 0.00 -0.91 0.22 0.00 0.00 176.86 176.17 2jat h ASN 109 N 0.00 0.41 -0.01 2.98 2.35 -1.18 -1.43 115.58 118.70 2jat h ASN 109 Ca 0.73 -0.69 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 2jat h ASN 109 Cb 1.80 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 40.03 2jat h ASN 109 CO -0.83 1.59 -0.44 0.59 -1.65 0.00 0.00 177.43 176.70 2jat n ASN 110 N -3.45 1.77 0.02 5.81 3.02 -0.56 -4.19 115.26 117.67 2jat n ASN 110 Ca -0.23 -1.38 -0.02 0.00 -0.03 0.00 0.00 54.58 52.92 2jat n ASN 110 Cb 1.05 0.51 -0.01 0.00 -0.61 0.00 0.00 39.78 40.73 2jat n ASN 110 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2jat n VAL 111 N -0.16 1.24 0.12 2.41 0.31 0.11 -4.97 118.33 117.39 2jat n VAL 111 Ca 0.08 0.33 -0.05 0.00 -0.01 0.00 0.00 64.34 64.68 2jat n VAL 111 Cb 0.40 -1.75 -0.03 0.00 -0.91 0.00 0.00 33.84 31.55 2jat n VAL 111 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2jat h VAL 112 N -0.22 0.00 -2.04 2.52 2.07 -1.38 -3.50 116.25 113.71 2jat h VAL 112 Ca -0.01 -0.36 -0.64 0.00 0.82 0.00 0.00 66.70 66.51 2jat h VAL 112 Cb 0.27 0.00 0.08 0.00 -1.52 0.00 0.00 31.29 30.12 2jat h VAL 112 CO -0.01 0.00 0.31 0.18 0.02 0.00 0.00 177.57 178.08 2jat n LEU 113 N -3.94 1.73 0.00 2.57 4.77 -0.55 -5.03 117.00 116.55 2jat n LEU 113 Ca -0.04 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 57.08 2jat n LEU 113 Cb 0.14 -1.24 0.00 0.00 -2.33 0.00 0.00 43.42 39.99 2jat n LEU 113 CO 0.11 -1.20 0.00 -0.11 -1.33 0.00 0.00 177.39 174.86 2jat n LEU 123 N 2.03 0.00 -4.09 2.23 -0.00 -1.26 -4.82 117.00 111.09 2jat n LEU 123 Ca 0.15 0.00 -0.36 0.00 -0.00 0.00 0.00 56.01 55.80 2jat n LEU 123 Cb 0.25 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.59 2jat n LEU 123 CO 0.61 0.00 0.15 -0.55 -0.00 0.00 0.00 177.39 177.60 2jat s SER 124 N -0.60 5.49 0.22 1.96 0.15 -1.26 -5.08 113.70 114.59 2jat s SER 124 Ca 0.00 -3.22 -0.30 0.00 0.70 0.00 0.00 55.95 53.13 2jat s SER 124 Cb 0.00 -1.87 -0.08 0.00 -1.71 0.00 0.00 66.02 62.36 2jat s SER 124 CO 0.00 -0.29 1.07 -0.36 1.20 0.00 0.00 173.24 174.86 2jat s PHE 125 N -0.61 3.66 0.25 3.44 0.40 -1.26 -4.86 117.98 119.01 2jat s PHE 125 Ca 0.21 1.69 0.19 0.00 -0.60 0.00 0.00 56.93 58.42 2jat s PHE 125 Cb -0.15 -3.22 0.81 0.00 0.51 0.00 0.00 43.02 40.97 2jat s PHE 125 CO -0.07 -0.39 1.80 -0.44 0.70 0.00 0.00 175.22 176.82 2jat h ASP 126 N 4.56 0.00 -4.26 1.36 3.32 -1.24 -3.44 116.42 116.72 2jat h ASP 126 Ca -0.45 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.52 2jat h ASP 126 Cb 1.21 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.55 2jat h ASP 126 CO 0.70 0.34 -0.02 -0.51 -1.72 0.00 0.00 179.24 178.03 2jat s ILE 127 N -3.82 0.01 -0.27 0.35 2.07 -1.12 -4.84 121.20 113.58 2jat s ILE 127 Ca -0.01 -0.05 0.03 0.00 -1.41 0.00 0.00 60.65 59.21 2jat s ILE 127 Cb 0.12 -0.82 0.06 0.00 0.13 0.00 0.00 42.46 41.95 2jat s ILE 127 CO 0.68 -0.03 -0.09 -0.69 -1.91 0.00 0.00 174.94 172.90 2jat s VAL 128 N -0.15 2.15 -0.44 4.00 1.01 -0.59 -1.27 120.40 125.11 2jat s VAL 128 Ca -0.04 -1.68 -0.21 0.00 0.00 0.00 0.00 61.98 60.05 2jat s VAL 128 Cb -0.03 -2.29 0.02 0.00 0.00 0.00 0.00 36.38 34.08 2jat s VAL 128 CO 0.03 -0.09 0.66 -0.63 0.00 0.00 0.00 175.10 175.08 2jat s ILE 129 N 1.10 4.80 -0.57 2.22 1.01 -0.07 -0.64 121.20 129.05 2jat s ILE 129 Ca -0.07 0.17 -0.22 0.00 0.00 0.00 0.00 60.65 60.53 2jat s ILE 129 Cb -0.20 -4.22 0.06 0.00 0.01 0.00 0.00 42.46 38.11 2jat s ILE 129 CO -0.05 -0.61 0.82 -0.47 0.00 0.00 0.00 174.94 174.62 2jat s TYR 130 N 2.89 2.87 -1.13 3.97 5.04 -0.08 -0.06 117.35 130.85 2jat s TYR 130 Ca 0.24 -0.42 -0.22 0.00 -2.44 0.00 0.00 57.07 54.23 2jat s TYR 130 Cb -0.14 -3.95 -0.01 0.00 0.35 0.00 0.00 41.96 38.21 2jat s TYR 130 CO 0.19 -1.32 1.79 -0.51 -1.34 0.00 0.00 175.55 174.36 2jat s LEU 131 N 3.42 3.39 0.08 6.97 1.43 0.57 -1.52 118.68 133.02 2jat s LEU 131 Ca 0.21 -1.66 -0.31 0.00 -1.03 0.00 0.00 54.13 51.35 2jat s LEU 131 Cb -0.17 -2.58 -0.06 0.00 0.03 0.00 0.00 46.19 43.41 2jat s LEU 131 CO 0.13 -2.15 1.27 -0.60 0.23 0.00 0.00 176.35 175.23 2jat s ARG 132 N 5.63 4.39 -0.14 1.70 3.52 -0.63 -4.63 118.95 128.79 2jat s ARG 132 Ca 0.60 1.88 -0.22 0.00 -0.13 0.00 0.00 55.73 57.86 2jat s ARG 132 Cb -0.00 -3.32 0.05 0.00 -1.56 0.00 0.00 34.95 30.12 2jat s ARG 132 CO 0.04 -0.33 0.55 0.54 -0.81 0.00 0.00 175.30 175.30 2jat s VAL 133 N 1.13 0.01 0.66 7.11 0.11 -1.26 0.70 120.40 128.85 2jat s VAL 133 Ca 0.61 -0.08 -0.13 0.00 -2.93 0.00 0.00 61.98 59.44 2jat s VAL 133 Cb -0.32 -0.81 -0.01 0.00 -1.53 0.00 0.00 36.38 33.71 2jat s VAL 133 CO 0.29 -0.05 1.07 -0.94 -3.33 0.00 0.00 175.10 172.14 2jat s SER 134 N -0.37 5.45 0.25 3.54 1.04 -1.26 -4.93 113.70 117.43 2jat s SER 134 Ca -0.05 1.75 -0.02 0.00 0.48 0.00 0.00 55.95 58.11 2jat s SER 134 Cb -0.03 -2.52 0.31 0.00 0.10 0.00 0.00 66.02 63.88 2jat s SER 134 CO 0.04 -1.39 1.72 0.74 0.98 0.00 0.00 173.24 175.32 2jat h THR 135 N -0.19 1.25 0.10 2.02 2.02 -1.97 -2.65 112.91 113.49 2jat h THR 135 Ca -0.45 -1.14 0.02 0.00 0.77 0.00 0.00 66.41 65.61 2jat h THR 135 Cb 1.22 1.05 -0.05 0.00 -1.74 0.00 0.00 68.15 68.63 2jat h THR 135 CO 0.56 0.39 -0.43 0.11 0.37 0.00 0.00 175.52 176.52 2jat h LYS 136 N 0.67 -0.63 0.09 6.66 1.57 -1.98 0.28 116.57 123.23 2jat h LYS 136 Ca 0.12 0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.96 2jat h LYS 136 Cb 0.57 0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.98 2jat h LYS 136 CO 0.04 -0.42 -0.32 1.15 -0.57 0.00 0.00 179.45 179.33 2jat h THR 137 N -0.65 0.31 -0.51 -0.16 2.02 -1.94 -0.62 112.91 111.36 2jat h THR 137 Ca 0.02 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.31 2jat h THR 137 Cb 0.68 0.31 -0.10 0.00 -1.74 0.00 0.00 68.15 67.31 2jat h THR 137 CO -0.26 0.00 -0.15 0.00 0.37 0.00 0.00 175.52 175.48 2jat h ALA 138 N 0.14 0.31 -0.64 6.16 0.00 -1.30 0.46 119.26 124.38 2jat h ALA 138 Ca 0.04 0.20 0.10 0.00 0.00 0.00 0.00 54.91 55.25 2jat h ALA 138 Cb 0.57 0.42 -0.08 0.00 0.00 0.00 0.00 17.79 18.71 2jat h ALA 138 CO -0.21 -0.46 0.24 0.82 0.00 0.00 0.00 179.25 179.65 2jat h ILE 139 N -0.02 0.75 -0.03 0.00 2.04 -0.03 0.17 117.51 120.39 2jat h ILE 139 Ca 0.25 -0.14 -0.16 0.00 1.00 0.00 0.00 64.86 65.80 2jat h ILE 139 Cb 0.40 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 2jat h ILE 139 CO -0.54 0.08 -0.69 0.77 0.00 0.00 0.00 178.15 177.76 2jat h SER 140 N 0.42 0.20 0.37 1.72 4.64 0.07 -0.98 113.55 119.99 2jat h SER 140 Ca 0.33 -0.13 -0.10 0.00 -0.47 0.00 0.00 61.79 61.42 2jat h SER 140 Cb 0.42 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 2jat h SER 140 CO -0.32 0.83 -0.43 0.03 -0.87 0.00 0.00 176.83 176.07 2jat h ARG 141 N 0.11 0.08 -0.25 4.77 3.08 0.37 -0.91 114.38 121.63 2jat h ARG 141 Ca -0.02 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 59.87 2jat h ARG 141 Cb 1.23 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.28 2jat h ARG 141 CO 0.10 0.49 -0.34 0.82 -1.07 0.00 0.00 179.97 179.97 2jat h ILE 142 N 0.06 1.31 -0.81 2.04 2.04 -0.52 -0.31 117.51 121.33 2jat h ILE 142 Ca 0.00 -1.54 0.05 0.00 1.00 0.00 0.00 64.86 64.37 2jat h ILE 142 Cb 0.79 1.71 -0.05 0.00 -0.74 0.00 0.00 36.82 38.53 2jat h ILE 142 CO 0.06 0.49 0.53 0.50 0.00 0.00 0.00 178.15 179.73 2jat h LYS 143 N 0.39 0.93 0.00 2.37 3.64 -0.88 0.21 116.57 123.22 2jat h LYS 143 Ca 0.03 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.24 2jat h LYS 143 Cb 0.93 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.52 2jat h LYS 143 CO 0.08 0.61 -2.07 0.36 -2.27 0.00 0.00 179.45 176.16 2jat n LYS 144 N -4.46 0.67 0.00 1.90 2.85 -0.37 -4.77 118.16 113.97 2jat n LYS 144 Ca 0.11 -0.12 0.00 0.00 -1.05 0.00 0.00 58.31 57.25 2jat n LYS 144 Cb 0.15 -1.54 0.00 0.00 -0.65 0.00 0.00 35.03 33.00 2jat n LYS 144 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 2jat n ARG 145 N -2.44 1.54 0.00 -1.58 0.63 -0.13 -5.01 116.66 109.68 2jat n ARG 145 Ca -0.13 -0.07 0.00 0.00 -0.92 0.00 0.00 57.85 56.73 2jat n ARG 145 Cb 0.75 -0.38 0.00 0.00 0.45 0.00 0.00 32.46 33.28 2jat n ARG 145 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2jat n GLY 146 N 0.24 1.69 3.77 5.14 0.00 0.05 -4.96 105.19 111.12 2jat n GLY 146 Ca 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 2jat n GLY 146 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2jat s ARG 147 N 0.00 1.23 0.33 1.61 3.03 -1.26 -5.07 118.95 118.83 2jat s ARG 147 Ca 0.00 -0.70 0.01 0.00 2.03 0.00 0.00 55.73 57.06 2jat s ARG 147 Cb 0.00 0.40 0.57 0.00 -1.03 0.00 0.00 34.95 34.90 2jat s ARG 147 CO 0.00 -0.57 1.99 0.66 -1.13 0.00 0.00 175.30 176.25 2jat h SER 148 N 2.00 0.81 -0.97 -2.89 4.64 -1.99 -2.90 113.55 112.25 2jat h SER 148 Ca -0.25 -0.02 0.01 0.00 -0.47 0.00 0.00 61.79 61.06 2jat h SER 148 Cb 1.23 -0.20 -0.05 0.00 -0.31 0.00 0.00 62.40 63.07 2jat h SER 148 CO 0.27 0.58 0.62 -0.33 -0.87 0.00 0.00 176.83 177.11 2jat h GLU 149 N 0.95 1.28 0.00 4.77 3.07 -1.94 -2.44 114.58 120.27 2jat h GLU 149 Ca 0.27 -0.09 0.00 0.00 -0.50 0.00 0.00 59.36 59.04 2jat h GLU 149 Cb -0.08 -0.28 0.00 0.00 -0.84 0.00 0.00 28.75 27.54 2jat h GLU 149 CO -0.06 0.86 0.00 0.39 -1.40 0.00 0.00 179.01 178.80 2jat n GLU 150 N -4.39 0.05 0.18 2.33 1.02 -1.09 -2.34 120.64 116.39 2jat n GLU 150 Ca 0.11 0.16 0.09 0.00 -0.02 0.00 0.00 57.16 57.51 2jat n GLU 150 Cb 0.02 -1.57 0.10 0.00 -0.02 0.00 0.00 31.44 29.97 2jat n GLU 150 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2jat h LEU 151 N 0.00 0.00 -0.10 -4.62 3.38 -1.48 -3.39 115.31 109.10 2jat h LEU 151 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2jat h LEU 151 Cb 0.42 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 2jat h LEU 151 CO 0.00 0.14 -0.04 -0.07 0.09 0.00 0.00 178.44 178.56 2jat h LEU 152 N 0.00 0.20-10.13 1.67 3.38 -1.51 -3.45 115.31 105.47 2jat h LEU 152 Ca -0.01 -0.40 -0.48 0.00 0.09 0.00 0.00 57.88 57.09 2jat h LEU 152 Cb 1.11 -0.06 0.04 0.00 0.09 0.00 0.00 40.66 41.85 2jat h LEU 152 CO 0.02 0.55 0.38 0.27 0.09 0.00 0.00 178.44 179.75 2jat s ILE 153 N -4.62 3.84 1.07 1.22 -5.25 -1.26 -5.04 121.20 111.15 2jat s ILE 153 Ca -0.15 1.02 -0.12 0.00 -0.99 0.00 0.00 60.65 60.42 2jat s ILE 153 Cb 0.04 -3.44 0.22 0.00 2.95 0.00 0.00 42.46 42.23 2jat s ILE 153 CO 0.71 -0.37 1.00 0.61 -1.79 0.00 0.00 174.94 175.10 2jat n GLY 154 N -0.61 -1.40 0.19 6.27 0.00 -1.26 -4.95 105.19 103.42 2jat n GLY 154 Ca 0.09 -0.97 0.08 0.00 0.00 0.00 0.00 46.02 45.23 2jat n GLY 154 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2jat h GLU 155 N -2.32 0.00 -0.89 1.61 5.08 -1.97 -3.26 114.58 112.83 2jat h GLU 155 Ca -0.53 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 57.97 2jat h GLU 155 Cb 1.31 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.49 2jat h GLU 155 CO 0.45 0.20 0.57 1.05 -1.00 0.00 0.00 179.01 180.28 2jat h GLU 156 N 0.00 0.69 -0.66 2.33 4.11 -2.00 0.15 114.58 119.21 2jat h GLU 156 Ca -0.00 -0.04 0.10 0.00 0.07 0.00 0.00 59.36 59.48 2jat h GLU 156 Cb 1.13 -0.15 -0.07 0.00 0.50 0.00 0.00 28.75 30.15 2jat h GLU 156 CO 0.03 0.45 0.28 -0.92 0.07 0.00 0.00 179.01 178.92 2jat h TYR 157 N 0.71 0.50 -0.02 2.06 3.20 -1.95 -1.65 116.97 119.82 2jat h TYR 157 Ca 0.45 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 62.23 2jat h TYR 157 Cb 0.70 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 2jat h TYR 157 CO -0.00 0.15 -0.55 -1.49 -1.64 0.00 0.00 178.16 174.63 2jat h TRP 158 N 0.49 0.06 -0.32 -3.82 -0.00 -0.90 -1.92 115.95 109.53 2jat h TRP 158 Ca 0.33 -0.02 -0.16 0.00 -0.00 0.00 0.00 58.89 59.03 2jat h TRP 158 Cb 0.38 -0.01 -0.01 0.00 -0.00 0.00 0.00 29.16 29.53 2jat h TRP 158 CO -0.14 0.59 -0.44 0.93 -0.00 0.00 0.00 178.44 179.37 2jat h GLU 159 N 0.04 0.83 -0.06 0.49 5.08 -0.93 -1.75 114.58 118.28 2jat h GLU 159 Ca -0.00 -0.47 -0.18 0.00 -1.00 0.00 0.00 59.36 57.72 2jat h GLU 159 Cb 0.98 0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.27 2jat h GLU 159 CO 0.07 1.10 -0.64 1.15 -1.00 0.00 0.00 179.01 179.69 2jat h THR 160 N 0.67 1.36 -0.22 1.13 2.02 -1.22 -1.31 112.91 115.33 2jat h THR 160 Ca 0.04 -1.98 0.06 0.00 0.77 0.00 0.00 66.41 65.30 2jat h THR 160 Cb 1.02 2.31 -0.06 0.00 -1.74 0.00 0.00 68.15 69.69 2jat h THR 160 CO 0.10 0.60 -0.16 0.25 0.37 0.00 0.00 175.52 176.68 2jat h LEU 161 N 0.15 -0.50 -0.01 2.58 5.85 -1.41 0.34 115.31 122.31 2jat h LEU 161 Ca -0.06 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 2jat h LEU 161 Cb 1.31 0.26 -0.00 0.00 0.37 0.00 0.00 40.66 42.60 2jat h LEU 161 CO 0.13 -0.20 0.00 -1.13 -0.34 0.00 0.00 178.44 176.91 2jat h ASN 162 N -0.15 0.01 -0.81 1.25 -1.24 -1.32 -0.11 115.58 113.20 2jat h ASN 162 Ca 0.13 -0.12 0.18 0.00 0.71 0.00 0.00 56.30 57.20 2jat h ASN 162 Cb 0.34 -0.00 -0.11 0.00 0.73 0.00 0.00 38.32 39.28 2jat h ASN 162 CO -0.31 0.12 0.30 0.11 -1.29 0.00 0.00 177.43 176.36 2jat h LYS 163 N -0.11 0.37 0.00 6.67 1.57 -1.06 -1.64 116.57 122.38 2jat h LYS 163 Ca 0.00 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.67 2jat h LYS 163 Cb 0.12 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 2jat h LYS 163 CO -0.00 0.25 -0.41 -0.91 -0.57 0.00 0.00 179.45 177.81 2jat h ASN 164 N 0.38 0.00 -0.39 0.86 2.35 0.26 -2.00 115.58 117.03 2jat h ASN 164 Ca 0.47 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 56.17 2jat h ASN 164 Cb 0.80 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.16 2jat h ASN 164 CO -0.48 0.41 0.07 1.88 -1.65 0.00 0.00 177.43 177.66 2jat h TYR 165 N 0.00 0.69 0.41 1.19 -1.99 -0.10 -1.42 116.97 115.75 2jat h TYR 165 Ca -0.00 -0.09 -0.02 0.00 2.00 0.00 0.00 58.73 60.61 2jat h TYR 165 Cb 0.76 -0.19 0.00 0.00 2.00 0.00 0.00 36.73 39.30 2jat h TYR 165 CO 0.00 0.68 -0.20 1.49 -0.00 0.00 0.00 178.16 180.13 2jat h GLU 166 N 0.50 -0.54 -0.92 4.88 4.57 -1.25 -0.53 114.58 121.29 2jat h GLU 166 Ca 0.12 0.04 0.22 0.00 -1.18 0.00 0.00 59.36 58.55 2jat h GLU 166 Cb 0.35 0.12 -0.17 0.00 -0.16 0.00 0.00 28.75 28.89 2jat h GLU 166 CO 0.01 -0.33 -0.09 1.49 -1.18 0.00 0.00 179.01 178.91 2jat h GLU 167 N -0.61 0.02 -0.28 1.92 4.57 -1.40 0.26 114.58 119.06 2jat h GLU 167 Ca -0.06 -0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.06 2jat h GLU 167 Cb 0.45 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.03 2jat h GLU 167 CO 0.09 0.01 -0.05 0.35 -1.18 0.00 0.00 179.01 178.24 2jat h PHE 168 N 0.02 0.59 -0.39 0.92 3.57 -0.90 -1.30 116.94 119.45 2jat h PHE 168 Ca 0.50 -0.12 0.03 0.00 3.53 0.00 0.00 57.97 61.91 2jat h PHE 168 Cb 0.90 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.46 2jat h PHE 168 CO -0.59 0.72 0.20 -0.92 -2.23 0.00 0.00 178.31 175.49 2jat h TYR 169 N 0.30 0.37 -0.02 0.41 3.20 0.24 -1.70 116.97 119.76 2jat h TYR 169 Ca 0.07 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.89 2jat h TYR 169 Cb 0.51 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 2jat h TYR 169 CO 0.05 0.20 -0.32 0.87 -1.64 0.00 0.00 178.16 177.31 2jat h LYS 170 N 0.41 0.04 0.03 1.82 1.57 -0.42 0.86 116.57 120.87 2jat h LYS 170 Ca 0.17 -0.01 -0.21 0.00 -1.87 0.00 0.00 60.65 58.72 2jat h LYS 170 Cb 0.07 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 2jat h LYS 170 CO -0.11 0.36 -0.97 1.96 -0.57 0.00 0.00 179.45 180.12 2jat h GLN 171 N 0.04 0.16 -0.36 3.15 4.20 -1.02 -3.37 115.11 117.91 2jat h GLN 171 Ca 0.00 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.50 2jat h GLN 171 Cb 0.59 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.44 2jat h GLN 171 CO 0.04 1.01 0.00 0.09 -0.67 0.00 0.00 178.83 179.30 2jat n ASN 172 N -3.57 2.96 -0.29 1.46 3.02 -0.66 -4.72 115.26 113.46 2jat n ASN 172 Ca -0.04 -2.00 0.14 0.00 -0.03 0.00 0.00 54.58 52.65 2jat n ASN 172 Cb 0.87 -0.24 0.39 0.00 -0.61 0.00 0.00 39.78 40.20 2jat n ASN 172 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 2jat h VAL 173 N 2.09 0.76 0.00 2.41 3.04 -1.00 -0.69 116.25 122.86 2jat h VAL 173 Ca 0.00 -0.22 0.00 0.00 -1.01 0.00 0.00 66.70 65.47 2jat h VAL 173 Cb 0.74 0.05 0.00 0.00 -2.01 0.00 0.00 31.29 30.07 2jat h VAL 173 CO 0.00 0.12 -0.53 -1.22 -1.01 0.00 0.00 177.57 174.93 2jat n TYR 174 N -4.60 0.45 0.49 3.17 4.01 -1.26 -4.15 117.16 115.27 2jat n TYR 174 Ca 0.20 0.13 0.11 0.00 -0.16 0.00 0.00 57.90 58.18 2jat n TYR 174 Cb 0.56 -0.60 -0.08 0.00 -0.31 0.00 0.00 39.34 38.91 2jat n TYR 174 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2jat n ASP 175 N -1.98 0.53 -4.17 7.72 10.43 -0.28 -4.94 116.55 123.86 2jat n ASP 175 Ca 0.04 -0.35 -0.19 0.00 2.57 0.00 0.00 54.79 56.86 2jat n ASP 175 Cb 0.42 1.24 -0.12 0.00 1.84 0.00 0.00 41.12 44.49 2jat n ASP 175 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 2jat s PHE 176 N -3.25 1.25 -1.49 1.24 0.08 -1.14 -5.04 117.98 109.62 2jat s PHE 176 Ca 0.01 -0.44 -0.13 0.00 0.12 0.00 0.00 56.93 56.49 2jat s PHE 176 Cb 0.15 -0.71 0.01 0.00 -0.57 0.00 0.00 43.02 41.90 2jat s PHE 176 CO 0.86 0.06 2.38 -0.35 -0.10 0.00 0.00 175.22 178.07 2jat n PRO 177 N 1.39 3.03 -1.97 0.24 -0.04 -1.26 -4.88 135.00 131.51 2jat n PRO 177 Ca -0.20 -2.51 -0.40 0.00 -0.04 0.00 0.00 63.50 60.34 2jat n PRO 177 Cb 0.54 -3.19 -0.01 0.00 -0.04 0.00 0.00 33.50 30.81 2jat n PRO 177 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2jat s PHE 178 N 2.99 2.77 -0.11 0.54 0.40 -1.26 -1.54 117.98 121.77 2jat s PHE 178 Ca 0.52 1.32 -0.03 0.00 -0.60 0.00 0.00 56.93 58.14 2jat s PHE 178 Cb 0.15 -3.81 0.04 0.00 0.51 0.00 0.00 43.02 39.91 2jat s PHE 178 CO -0.08 -2.39 0.05 0.12 0.70 0.00 0.00 175.22 173.62 2jat s PHE 179 N -1.17 0.40 -0.11 0.36 5.36 0.18 -4.87 117.98 118.13 2jat s PHE 179 Ca 0.54 -0.20 -0.22 0.00 -0.96 0.00 0.00 56.93 56.09 2jat s PHE 179 Cb -0.42 -0.71 -0.03 0.00 -0.34 0.00 0.00 43.02 41.52 2jat s PHE 179 CO 0.55 -0.39 0.64 0.08 -1.46 0.00 0.00 175.22 174.64 2jat s VAL 180 N 2.06 5.07 -0.17 3.12 1.01 -1.26 -0.90 120.40 129.33 2jat s VAL 180 Ca 0.03 1.28 -0.01 0.00 0.00 0.00 0.00 61.98 63.28 2jat s VAL 180 Cb -0.14 -3.97 -0.01 0.00 0.00 0.00 0.00 36.38 32.26 2jat s VAL 180 CO -0.06 0.23 -0.11 -0.69 0.00 0.00 0.00 175.10 174.46 2jat s VAL 181 N 1.06 2.97 -0.48 2.92 1.01 -0.57 -4.95 120.40 122.36 2jat s VAL 181 Ca 0.33 -0.66 -0.27 0.00 0.00 0.00 0.00 61.98 61.38 2jat s VAL 181 Cb -0.17 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 2jat s VAL 181 CO 0.14 0.49 2.10 -0.62 0.00 0.00 0.00 175.10 177.22 2jat s ASP 182 N 0.91 5.06 0.00 3.32 -1.08 -1.26 -1.61 116.67 122.00 2jat s ASP 182 Ca -0.03 0.94 0.28 0.00 -0.52 0.00 0.00 52.55 53.22 2jat s ASP 182 Cb -0.15 -2.52 1.58 0.00 -1.46 0.00 0.00 42.92 40.37 2jat s ASP 182 CO -0.01 -2.43 2.00 0.00 0.52 0.00 0.00 175.17 175.25 2jat n ALA 183 N 13.50 2.48 0.18 3.66 0.00 0.22 -2.54 120.51 138.02 2jat n ALA 183 Ca 0.28 -0.16 0.05 0.00 0.00 0.00 0.00 53.44 53.61 2jat n ALA 183 Cb 0.52 -1.45 0.28 0.00 0.00 0.00 0.00 19.45 18.79 2jat n ALA 183 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2jat h GLU 184 N 0.00 0.00 -7.25 0.00 4.39 -1.87 -3.47 114.58 106.38 2jat h GLU 184 Ca 0.00 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 59.22 2jat h GLU 184 Cb 0.09 0.00 0.18 0.00 -0.10 0.00 0.00 28.75 28.92 2jat h GLU 184 CO 0.00 0.40 0.17 -0.51 -1.16 0.00 0.00 179.01 177.91 2jat s LEU 185 N -6.94 2.05 0.48 1.33 1.43 -1.05 -4.99 118.68 110.99 2jat s LEU 185 Ca 0.01 1.75 -0.24 0.00 -1.03 0.00 0.00 54.13 54.62 2jat s LEU 185 Cb 0.10 -4.01 -0.07 0.00 0.03 0.00 0.00 46.19 42.24 2jat s LEU 185 CO 0.70 -3.26 1.42 -0.62 0.23 0.00 0.00 176.35 174.81 2jat s ASP 186 N -2.88 5.65 0.26 2.29 -1.08 -1.26 -4.83 116.67 114.81 2jat s ASP 186 Ca 0.66 2.90 -0.01 0.00 -0.52 0.00 0.00 52.55 55.58 2jat s ASP 186 Cb -0.22 -2.65 0.53 0.00 -1.46 0.00 0.00 42.92 39.12 2jat s ASP 186 CO 0.60 -1.33 1.76 0.58 0.52 0.00 0.00 175.17 177.29 2jat h VAL 187 N 2.03 0.71 -0.99 1.11 2.07 -1.94 -0.67 116.25 118.57 2jat h VAL 187 Ca -0.51 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 66.81 2jat h VAL 187 Cb 1.28 0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 31.07 2jat h VAL 187 CO 0.60 0.11 0.65 0.11 0.02 0.00 0.00 177.57 179.05 2jat h LYS 188 N 0.59 1.31 -0.01 1.57 1.57 -1.99 -0.65 116.57 118.97 2jat h LYS 188 Ca 0.46 -0.09 -0.22 0.00 -1.87 0.00 0.00 60.65 58.93 2jat h LYS 188 Cb 0.66 -0.29 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2jat h LYS 188 CO -0.37 0.88 -0.92 1.15 -0.57 0.00 0.00 179.45 179.62 2jat h THR 189 N 1.35 1.41 0.26 -0.16 2.02 -1.68 -1.51 112.91 114.60 2jat h THR 189 Ca 0.36 -2.44 -0.01 0.00 0.77 0.00 0.00 66.41 65.09 2jat h THR 189 Cb -0.14 2.40 0.00 0.00 -1.74 0.00 0.00 68.15 68.68 2jat h THR 189 CO -0.08 0.73 -0.12 1.56 0.37 0.00 0.00 175.52 177.98 2jat h GLN 190 N 0.22 -0.33 -0.56 6.66 4.20 -0.79 -1.62 115.11 122.89 2jat h GLN 190 Ca -0.07 0.02 0.09 0.00 0.06 0.00 0.00 58.65 58.75 2jat h GLN 190 Cb 1.55 0.08 -0.07 0.00 0.30 0.00 0.00 27.48 29.33 2jat h GLN 190 CO 0.16 -0.14 0.18 0.82 -0.67 0.00 0.00 178.83 179.17 2jat h ILE 191 N -0.46 0.76 -0.52 2.54 1.08 -1.12 -0.49 117.51 119.30 2jat h ILE 191 Ca -0.04 -0.12 0.09 0.00 -0.39 0.00 0.00 64.86 64.41 2jat h ILE 191 Cb 0.35 0.39 -0.08 0.00 -3.07 0.00 0.00 36.82 34.41 2jat h ILE 191 CO 0.06 0.06 0.09 -0.08 -0.69 0.00 0.00 178.15 177.59 2jat h GLU 192 N 0.34 0.21 -0.43 2.37 4.81 -1.19 0.91 114.58 121.60 2jat h GLU 192 Ca 0.28 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.42 2jat h GLU 192 Cb 0.35 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 2jat h GLU 192 CO -0.31 0.14 -0.04 -0.07 -0.73 0.00 0.00 179.01 178.00 2jat h LEU 193 N 0.22 0.70 -0.14 1.64 3.38 -0.39 -2.73 115.31 117.98 2jat h LEU 193 Ca 0.27 -0.18 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 2jat h LEU 193 Cb 0.37 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2jat h LEU 193 CO -0.36 0.80 -0.47 0.40 0.09 0.00 0.00 178.44 178.89 2jat h ILE 194 N 0.68 1.35 -0.54 1.22 2.04 -0.41 -2.89 117.51 118.95 2jat h ILE 194 Ca 0.13 -1.75 -0.02 0.00 1.00 0.00 0.00 64.86 64.22 2jat h ILE 194 Cb 0.47 2.05 -0.03 0.00 -0.74 0.00 0.00 36.82 38.58 2jat h ILE 194 CO 0.02 0.53 0.25 0.24 0.00 0.00 0.00 178.15 179.19 2jat h MET 195 N 0.21 0.76 -0.20 2.37 2.86 -0.78 -0.43 114.93 119.73 2jat h MET 195 Ca -0.02 -0.10 -0.18 0.00 -2.06 0.00 0.00 59.70 57.35 2jat h MET 195 Cb 1.09 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.61 2jat h MET 195 CO 0.10 0.60 -0.60 -0.91 1.06 0.00 0.00 176.91 177.17 2jat h ASN 196 N 0.76 0.75 -0.22 1.22 2.35 -1.51 0.55 115.58 119.48 2jat h ASN 196 Ca 0.19 -0.42 -0.03 0.00 -0.55 0.00 0.00 56.30 55.48 2jat h ASN 196 Cb 0.10 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 2jat h ASN 196 CO -0.02 1.17 0.01 0.50 -1.65 0.00 0.00 177.43 177.44 2jat h LYS 197 N 0.50 0.39 -0.67 0.81 1.63 -1.27 -2.48 116.57 115.47 2jat h LYS 197 Ca -0.00 -0.12 0.02 0.00 -0.85 0.00 0.00 60.65 59.69 2jat h LYS 197 Cb 1.17 -0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 32.73 2jat h LYS 197 CO 0.12 0.57 0.44 -0.07 -3.45 0.00 0.00 179.45 177.05 2jat h LEU 198 N 0.16 0.74 -1.73 5.20 3.38 -0.99 -2.23 115.31 119.83 2jat h LEU 198 Ca 0.06 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2jat h LEU 198 Cb 0.39 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 2jat h LEU 198 CO 0.01 0.53 -0.15 0.78 0.09 0.00 0.00 178.44 179.70 2jat h ASN 199 N 0.88 0.00 0.00 -0.43 2.35 -0.81 -0.45 115.58 117.11 2jat h ASN 199 Ca 0.26 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 2jat h ASN 199 Cb -0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.31 2jat h ASN 199 CO -0.07 0.15 -0.01 -1.54 -1.65 0.00 0.00 177.43 174.31 2jat n SER 200 N -4.30 1.22 -0.11 5.81 3.41 -0.86 -3.69 113.62 115.10 2jat n SER 200 Ca -0.03 -1.38 -0.22 0.00 -0.26 0.00 0.00 58.87 56.98 2jat n SER 200 Cb 0.22 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.09 2jat n SER 200 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2jat n ILE 201 N -0.06 1.16 0.00 -1.33 5.41 -0.91 -5.09 119.36 118.54 2jat n ILE 201 Ca 0.20 -0.31 0.00 0.00 1.00 0.00 0.00 62.75 63.64 2jat n ILE 201 Cb 0.31 -1.73 0.00 0.00 -0.71 0.00 0.00 39.64 37.51 2jat n ILE 201 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72