#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jtc n PRO 2 N 0.00 -0.31 -4.33 3.69 -0.04 -1.26 -4.54 135.00 128.21 2jtc n PRO 2 Ca 0.00 -0.19 -0.19 0.00 -0.04 0.00 0.00 63.50 63.08 2jtc n PRO 2 Cb 0.00 -0.14 -0.15 0.00 -0.04 0.00 0.00 33.50 33.17 2jtc n PRO 2 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2jtc s VAL 3 N -1.27 0.67 -0.05 0.52 1.01 -1.26 -2.89 120.40 117.13 2jtc s VAL 3 Ca 0.07 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.74 2jtc s VAL 3 Cb -0.00 -0.57 0.01 0.00 0.00 0.00 0.00 36.38 35.82 2jtc s VAL 3 CO 0.05 0.20 -0.10 -0.69 0.00 0.00 0.00 175.10 174.56 2jtc s VAL 4 N -0.04 0.91 0.00 2.92 1.01 -0.36 -4.80 120.40 120.03 2jtc s VAL 4 Ca 0.01 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.63 2jtc s VAL 4 Cb -0.05 -0.84 0.00 0.00 0.00 0.00 0.00 36.38 35.49 2jtc s VAL 4 CO -0.00 0.30 0.00 0.29 0.00 0.00 0.00 175.10 175.69 2jtc n LYS 5 N 3.76 -0.41 -2.59 2.72 4.76 -1.26 0.23 118.16 125.37 2jtc n LYS 5 Ca -0.23 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 54.80 2jtc n LYS 5 Cb 0.52 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.68 2jtc n LYS 5 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2jtc s SER 6 N -1.26 6.23 0.12 4.39 0.01 -1.23 -3.27 113.70 118.69 2jtc s SER 6 Ca 0.00 -0.36 -0.20 0.00 1.31 0.00 0.00 55.95 56.69 2jtc s SER 6 Cb 0.00 -2.54 -0.06 0.00 0.21 0.00 0.00 66.02 63.63 2jtc s SER 6 CO 0.00 -1.71 1.74 -0.07 0.41 0.00 0.00 173.24 173.61 2jtc h LEU 7 N 12.58 0.01 -1.13 2.44 3.38 0.13 0.28 115.31 133.01 2jtc h LEU 7 Ca -0.27 0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.74 2jtc h LEU 7 Cb 1.05 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.79 2jtc h LEU 7 CO 1.25 0.03 0.59 -0.07 0.09 0.00 0.00 178.44 180.33 2jtc h LEU 8 N 0.10 1.01 -0.71 1.67 3.38 -1.90 -1.64 115.31 117.22 2jtc h LEU 8 Ca 0.07 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 2jtc h LEU 8 Cb 0.07 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2jtc h LEU 8 CO -0.10 0.73 -0.17 -0.78 0.09 0.00 0.00 178.44 178.21 2jtc h ASP 9 N 1.19 0.82 0.00 -0.43 1.82 -1.55 0.41 116.42 118.68 2jtc h ASP 9 Ca 0.33 -0.27 0.00 0.00 -0.39 0.00 0.00 57.03 56.70 2jtc h ASP 9 Cb -0.11 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 39.68 2jtc h ASP 9 CO -0.08 0.98 0.08 0.77 -1.61 0.00 0.00 179.24 179.39 2jtc h SER 10 N 0.72 0.00 0.00 2.28 4.64 0.52 0.47 113.55 122.18 2jtc h SER 10 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 2jtc h SER 10 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 2jtc h SER 10 CO 0.05 0.00 -0.02 0.29 -0.87 0.00 0.00 176.83 176.28 2jtc n LYS 11 N -2.35 1.53 -4.19 4.77 5.02 -0.54 -4.97 118.16 117.44 2jtc n LYS 11 Ca -0.02 -2.32 -0.35 0.00 -2.02 0.00 0.00 58.31 53.61 2jtc n LYS 11 Cb 0.12 -1.37 -0.02 0.00 -0.02 0.00 0.00 35.03 33.74 2jtc n LYS 11 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jtc n GLY 12 N -1.21 -0.42 3.45 0.72 0.00 0.16 -4.69 105.19 103.21 2jtc n GLY 12 Ca 0.13 0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.85 2jtc n GLY 12 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jtc s ILE 13 N -3.37 4.49 -0.58 -0.61 1.01 0.13 -2.30 121.20 119.98 2jtc s ILE 13 Ca 0.66 -0.34 0.05 0.00 0.00 0.00 0.00 60.65 61.01 2jtc s ILE 13 Cb -0.36 -4.57 0.19 0.00 0.01 0.00 0.00 42.46 37.73 2jtc s ILE 13 CO 0.92 -1.24 0.49 1.41 0.00 0.00 0.00 174.94 176.51 2jtc n HIS 14 N 7.23 1.67 -2.01 3.97 8.25 0.71 -4.63 115.22 130.41 2jtc n HIS 14 Ca -0.04 -3.91 -0.29 0.00 -0.26 0.00 0.00 57.72 53.23 2jtc n HIS 14 Cb 0.45 -0.31 0.19 0.00 1.12 0.00 0.00 29.99 31.44 2jtc n HIS 14 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2jtc n TYR 15 N 2.02 -3.86 -2.96 4.41 4.02 -1.23 -3.71 117.16 115.86 2jtc n TYR 15 Ca 0.25 -1.25 0.00 0.00 -0.01 0.00 0.00 57.90 56.88 2jtc n TYR 15 Cb 0.42 -0.99 0.00 0.00 -0.02 0.00 0.00 39.34 38.75 2jtc n TYR 15 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2jtc n ASN 16 N -3.74 0.00 0.00 7.72 2.85 -1.26 -5.01 115.26 115.83 2jtc n ASN 16 Ca 0.17 -0.40 0.00 0.00 -0.11 0.00 0.00 54.58 54.23 2jtc n ASN 16 Cb 0.58 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.60 2jtc n ASN 16 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2jtc n GLN 17 N 0.00 1.68 -0.02 1.20 6.02 -1.26 -4.71 117.38 120.28 2jtc n GLN 17 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.96 2jtc n GLN 17 Cb 0.00 -0.85 -0.03 0.00 1.02 0.00 0.00 30.24 30.38 2jtc n GLN 17 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jtc n GLY 18 N 1.81 -0.14 0.00 1.08 0.00 -1.26 -0.72 105.19 105.97 2jtc n GLY 18 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2jtc n GLY 18 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2jtc n ASN 19 N -2.43 0.00 0.00 1.61 4.05 -1.26 -3.48 115.26 113.75 2jtc n ASN 19 Ca -0.08 0.00 0.07 0.00 0.45 0.00 0.00 54.58 55.02 2jtc n ASN 19 Cb 0.62 0.00 0.43 0.00 1.23 0.00 0.00 39.78 42.06 2jtc n ASN 19 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 2jtc n PRO 20 N 0.00 0.71 0.07 1.20 -0.04 -1.26 -2.61 135.00 133.06 2jtc n PRO 20 Ca 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.37 2jtc n PRO 20 Cb 0.00 -1.32 -0.12 0.00 -0.04 0.00 0.00 33.50 32.02 2jtc n PRO 20 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2jtc h TYR 21 N 0.00 0.11 -0.41 0.54 -1.99 -1.87 -3.19 116.97 110.16 2jtc h TYR 21 Ca 0.00 -0.08 0.00 0.00 2.00 0.00 0.00 58.73 60.65 2jtc h TYR 21 Cb 0.00 -0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 2jtc h TYR 21 CO 0.00 1.06 0.00 0.27 -0.00 0.00 0.00 178.16 179.49 2jtc n ASN 22 N -3.40 3.90 0.00 3.88 6.94 -1.07 -4.13 115.26 121.38 2jtc n ASN 22 Ca -0.02 -2.50 0.06 0.00 -0.02 0.00 0.00 54.58 52.10 2jtc n ASN 22 Cb 0.96 -0.57 0.35 0.00 -2.36 0.00 0.00 39.78 38.16 2jtc n ASN 22 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2jtc n LEU 23 N 0.54 0.00 0.00 -4.53 4.77 -1.21 -2.99 117.00 113.58 2jtc n LEU 23 Ca 0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 2jtc n LEU 23 Cb 0.80 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.89 2jtc n LEU 23 CO 0.20 0.00 0.05 0.18 -1.33 0.00 0.00 177.39 176.49 2jtc n LEU 24 N -0.75 0.18 -4.60 2.23 4.77 -1.26 -4.99 117.00 112.58 2jtc n LEU 24 Ca 0.09 -0.26 -0.30 0.00 -0.03 0.00 0.00 56.01 55.52 2jtc n LEU 24 Cb 0.04 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.33 2jtc n LEU 24 CO 0.07 0.05 0.61 0.42 -1.33 0.00 0.00 177.39 177.20 2jtc s THR 25 N -0.15 2.15 0.15 -5.08 -4.23 -1.16 -4.88 115.64 102.44 2jtc s THR 25 Ca 0.00 0.05 -0.30 0.00 -1.18 0.00 0.00 61.69 60.25 2jtc s THR 25 Cb 0.00 -2.15 -0.08 0.00 1.34 0.00 0.00 72.50 71.62 2jtc s THR 25 CO 0.00 -0.06 1.26 -2.16 -0.54 0.00 0.00 174.62 173.11 2jtc s PRO 26 N -4.60 4.43 0.46 3.99 0.04 -1.26 -4.59 135.00 133.47 2jtc s PRO 26 Ca 0.67 1.93 -0.24 0.00 0.04 0.00 0.00 61.00 63.40 2jtc s PRO 26 Cb -0.23 -3.25 -0.07 0.00 0.04 0.00 0.00 34.50 30.98 2jtc s PRO 26 CO 0.61 -0.22 1.24 0.08 0.04 0.00 0.00 177.00 178.74 2jtc s VAL 27 N 0.42 2.78 0.45 -0.36 1.01 -1.26 -2.99 120.40 120.45 2jtc s VAL 27 Ca 0.57 0.61 -0.21 0.00 0.00 0.00 0.00 61.98 62.95 2jtc s VAL 27 Cb -0.34 -3.32 -0.09 0.00 0.00 0.00 0.00 36.38 32.62 2jtc s VAL 27 CO 0.34 0.02 1.00 -0.63 0.00 0.00 0.00 175.10 175.84 2jtc s ILE 28 N -1.42 4.02 0.00 2.22 1.01 -0.91 -4.89 121.20 121.23 2jtc s ILE 28 Ca 0.63 1.29 0.00 0.00 0.00 0.00 0.00 60.65 62.57 2jtc s ILE 28 Cb -0.33 -3.54 0.00 0.00 0.01 0.00 0.00 42.46 38.60 2jtc s ILE 28 CO 0.41 -0.24 0.00 -0.62 0.00 0.00 0.00 174.94 174.49 2jtc n GLU 29 N -0.73 2.12 -4.26 2.79 1.02 -0.98 -2.00 120.64 118.60 2jtc n GLU 29 Ca 0.08 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.94 2jtc n GLU 29 Cb 0.53 -0.87 -0.06 0.00 -0.02 0.00 0.00 31.44 31.02 2jtc n GLU 29 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2jtc s LYS 30 N -1.56 2.21 0.05 3.49 1.02 0.75 -4.77 119.74 120.93 2jtc s LYS 30 Ca 0.00 -2.05 0.06 0.00 0.02 0.00 0.00 55.97 54.00 2jtc s LYS 30 Cb 0.00 -1.88 -0.03 0.00 -0.52 0.00 0.00 37.83 35.40 2jtc s LYS 30 CO 0.00 -0.31 -0.14 0.08 -0.92 0.00 0.00 175.35 174.06 2jtc s VAL 31 N -2.72 3.11 -0.05 3.17 1.01 -1.24 -4.23 120.40 119.44 2jtc s VAL 31 Ca 0.30 -1.15 -0.23 0.00 0.00 0.00 0.00 61.98 60.90 2jtc s VAL 31 Cb 0.02 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 2jtc s VAL 31 CO 0.17 0.28 0.70 -0.75 0.00 0.00 0.00 175.10 175.49 2jtc s LYS 32 N -1.67 4.43 -0.01 2.72 2.20 -1.17 -4.73 119.74 121.51 2jtc s LYS 32 Ca 0.17 0.89 -0.30 0.00 -0.36 0.00 0.00 55.97 56.36 2jtc s LYS 32 Cb -0.11 -3.43 -0.06 0.00 -1.51 0.00 0.00 37.83 32.73 2jtc s LYS 32 CO 0.08 0.11 1.46 -1.25 -0.36 0.00 0.00 175.35 175.39 2jtc s PRO 33 N 0.65 4.25 0.00 4.03 0.04 -1.26 -2.43 135.00 140.28 2jtc s PRO 33 Ca 0.37 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.44 2jtc s PRO 33 Cb -0.18 -3.66 0.00 0.00 0.04 0.00 0.00 34.50 30.70 2jtc s PRO 33 CO 0.18 -0.65 0.00 0.41 0.04 0.00 0.00 177.00 176.98 2jtc n GLY 34 N 3.77 1.15 3.51 0.56 0.00 -1.26 -5.08 105.19 107.83 2jtc n GLY 34 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 2jtc n GLY 34 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jtc s GLU 35 N -0.64 1.43 0.71 1.61 2.12 -1.02 -5.16 118.70 117.75 2jtc s GLU 35 Ca 0.00 -1.18 -0.12 0.00 0.36 0.00 0.00 54.97 54.03 2jtc s GLU 35 Cb 0.00 0.45 0.18 0.00 0.26 0.00 0.00 34.13 35.02 2jtc s GLU 35 CO 0.00 -0.58 0.57 1.04 -0.54 0.00 0.00 175.26 175.75 2jtc n GLN 36 N -0.34 -2.55 -3.18 4.30 3.00 -1.26 -4.72 117.38 112.63 2jtc n GLN 36 Ca -0.04 -0.92 -0.39 0.00 -0.01 0.00 0.00 57.00 55.64 2jtc n GLN 36 Cb 0.62 -0.94 -0.06 0.00 0.00 0.00 0.00 30.24 29.87 2jtc n GLN 36 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2jtc s SER 37 N -3.00 7.14 -0.03 1.08 0.15 -1.26 -4.40 113.70 113.39 2jtc s SER 37 Ca 0.39 1.35 0.11 0.00 0.70 0.00 0.00 55.95 58.49 2jtc s SER 37 Cb -0.05 -2.40 0.31 0.00 -1.71 0.00 0.00 66.02 62.18 2jtc s SER 37 CO 0.30 0.23 1.26 0.49 1.20 0.00 0.00 173.24 176.71 2jtc n PHE 38 N 1.87 0.49 -1.73 3.44 3.72 -1.26 -4.95 117.46 119.04 2jtc n PHE 38 Ca -0.08 -0.57 -0.42 0.00 -0.05 0.00 0.00 57.45 56.33 2jtc n PHE 38 Cb 0.50 -0.08 -0.03 0.00 -0.94 0.00 0.00 39.48 38.94 2jtc n PHE 38 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2jtc s VAL 39 N -1.31 3.13 0.00 -4.37 1.01 -1.26 0.63 120.40 118.23 2jtc s VAL 39 Ca 0.24 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.37 2jtc s VAL 39 Cb 0.15 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.42 2jtc s VAL 39 CO 0.13 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.82 2jtc n GLY 40 N 4.57 1.78 3.74 4.51 0.00 -0.85 -4.97 105.19 113.98 2jtc n GLY 40 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 2jtc n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jtc s GLN 41 N -0.80 4.56 -0.24 1.61 -0.21 0.21 -4.78 119.66 120.00 2jtc s GLN 41 Ca 0.00 1.77 -0.29 0.00 0.02 0.00 0.00 55.36 56.86 2jtc s GLN 41 Cb 0.00 -3.26 -0.01 0.00 1.00 0.00 0.00 33.01 30.74 2jtc s GLN 41 CO 0.00 0.03 1.40 -1.01 -2.12 0.00 0.00 175.29 173.59 2jtc s HIS 42 N -0.23 2.51 0.84 0.91 3.76 -1.26 -2.14 115.29 119.67 2jtc s HIS 42 Ca 0.50 0.76 -0.14 0.00 -0.15 0.00 0.00 55.06 56.03 2jtc s HIS 42 Cb -0.31 -3.86 0.01 0.00 1.11 0.00 0.00 32.58 29.54 2jtc s HIS 42 CO 0.36 -2.18 0.57 0.00 -0.85 0.00 0.00 174.74 172.64 2jtc n ALA 43 N 7.66 -1.79 -1.90 -1.40 0.00 -1.16 -4.62 120.51 117.28 2jtc n ALA 43 Ca 0.16 -0.42 -0.29 0.00 0.00 0.00 0.00 53.44 52.89 2jtc n ALA 43 Cb 0.46 -1.88 0.07 0.00 0.00 0.00 0.00 19.45 18.09 2jtc n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jtc s ALA 44 N -2.15 2.82 0.02 0.00 0.00 0.69 -4.58 121.76 118.56 2jtc s ALA 44 Ca 0.63 -0.52 -0.09 0.00 0.00 0.00 0.00 51.96 51.98 2jtc s ALA 44 Cb -0.28 -2.96 -0.31 0.00 0.00 0.00 0.00 23.12 19.57 2jtc s ALA 44 CO 0.61 -1.36 0.95 1.79 0.00 0.00 0.00 175.76 177.75 2jtc h THR 45 N -0.80 1.25 0.00 0.00 1.35 -1.24 -3.43 112.91 110.04 2jtc h THR 45 Ca -0.45 -2.79 0.00 0.00 -0.55 0.00 0.00 66.41 62.62 2jtc h THR 45 Cb 1.29 2.90 0.00 0.00 -1.73 0.00 0.00 68.15 70.61 2jtc h THR 45 CO 0.64 0.84 0.00 0.61 -0.25 0.00 0.00 175.52 177.37 2jtc n GLY 46 N 1.68 2.47 0.13 5.82 0.00 -1.25 -4.37 105.19 109.67 2jtc n GLY 46 Ca -0.16 -1.55 -0.08 0.00 0.00 0.00 0.00 46.02 44.24 2jtc n GLY 46 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2jtc h SER 47 N 0.00 -0.26 -0.57 1.61 4.64 -1.86 0.27 113.55 117.38 2jtc h SER 47 Ca 0.00 0.07 0.10 0.00 -0.47 0.00 0.00 61.79 61.50 2jtc h SER 47 Cb 0.00 0.16 -0.11 0.00 -0.31 0.00 0.00 62.40 62.14 2jtc h SER 47 CO 0.00 -0.10 -0.31 0.58 -0.87 0.00 0.00 176.83 176.14 2jtc h VAL 48 N -0.03 0.20 -0.15 0.95 2.07 -1.80 1.27 116.25 118.77 2jtc h VAL 48 Ca 0.11 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.62 2jtc h VAL 48 Cb 0.20 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 2jtc h VAL 48 CO -0.25 0.00 0.06 0.00 0.02 0.00 0.00 177.57 177.40 2jtc h ALA 49 N 1.06 0.20 -0.16 1.67 0.00 -1.45 -1.75 119.26 118.83 2jtc h ALA 49 Ca 0.24 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2jtc h ALA 49 Cb 0.54 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2jtc h ALA 49 CO -0.66 -0.20 -0.03 1.15 0.00 0.00 0.00 179.25 179.52 2jtc h THR 50 N 0.08 1.12 -0.30 0.00 2.02 0.11 1.11 112.91 117.05 2jtc h THR 50 Ca 0.05 -0.49 -0.09 0.00 0.77 0.00 0.00 66.41 66.65 2jtc h THR 50 Cb 0.19 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 2jtc h THR 50 CO -0.00 0.16 -0.18 0.00 0.37 0.00 0.00 175.52 175.87 2jtc h ALA 51 N 1.75 0.43 0.05 6.16 0.00 0.19 -2.18 119.26 125.66 2jtc h ALA 51 Ca 0.05 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 2jtc h ALA 51 Cb 0.21 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2jtc h ALA 51 CO 0.01 0.35 -0.02 1.15 0.00 0.00 0.00 179.25 180.74 2jtc h THR 52 N 0.41 1.32 -0.97 0.00 2.02 -0.56 -2.65 112.91 112.47 2jtc h THR 52 Ca 0.06 -1.56 0.22 0.00 0.77 0.00 0.00 66.41 65.90 2jtc h THR 52 Cb 0.71 2.30 -0.08 0.00 -1.74 0.00 0.00 68.15 69.34 2jtc h THR 52 CO 0.05 0.37 0.62 0.00 0.37 0.00 0.00 175.52 176.94 2jtc h ALA 53 N 0.03 2.07 0.47 6.16 0.00 0.12 2.26 119.26 130.37 2jtc h ALA 53 Ca -0.01 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2jtc h ALA 53 Cb 0.66 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2jtc h ALA 53 CO 0.01 -0.42 -0.23 1.96 0.00 0.00 0.00 179.25 180.58 2jtc h GLN 54 N 0.50 -0.61 -0.01 0.00 4.20 -1.42 0.70 115.11 118.48 2jtc h GLN 54 Ca 0.54 0.04 0.00 0.00 0.06 0.00 0.00 58.65 59.29 2jtc h GLN 54 Cb 1.20 0.14 -0.00 0.00 0.30 0.00 0.00 27.48 29.11 2jtc h GLN 54 CO -0.26 -0.35 0.12 0.82 -0.67 0.00 0.00 178.83 178.48 2jtc h ILE 55 N -1.11 0.03 -0.07 2.54 2.04 -0.88 1.37 117.51 121.42 2jtc h ILE 55 Ca -0.06 0.00 -0.20 0.00 1.00 0.00 0.00 64.86 65.60 2jtc h ILE 55 Cb 0.53 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 37.50 2jtc h ILE 55 CO 0.11 0.00 -0.78 0.24 0.00 0.00 0.00 178.15 177.72 2jtc h MET 56 N 0.00 0.46 0.09 2.37 2.86 0.42 -3.06 114.93 118.07 2jtc h MET 56 Ca 0.00 -0.39 -0.27 0.00 -2.06 0.00 0.00 59.70 56.98 2jtc h MET 56 Cb 0.24 0.09 0.03 0.00 0.06 0.00 0.00 31.60 32.01 2jtc h MET 56 CO -0.00 1.03 -1.09 -0.22 1.06 0.00 0.00 176.91 177.69 2jtc h LYS 57 N 0.30 0.58 -0.46 1.72 1.63 0.39 0.45 116.57 121.18 2jtc h LYS 57 Ca -0.04 -0.75 0.13 0.00 -0.85 0.00 0.00 60.65 59.15 2jtc h LYS 57 Cb 1.37 0.24 -0.02 0.00 -0.60 0.00 0.00 32.23 33.22 2jtc h LYS 57 CO 0.14 1.33 0.44 -0.92 -3.45 0.00 0.00 179.45 176.98 2jtc h TYR 58 N 0.18 0.00 0.00 1.91 5.03 0.33 -1.65 116.97 122.78 2jtc h TYR 58 Ca -0.16 0.00 -0.15 0.00 2.58 0.00 0.00 58.73 61.00 2jtc h TYR 58 Cb 1.78 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 40.03 2jtc h TYR 58 CO 0.13 0.00 -1.77 0.72 -1.32 0.00 0.00 178.16 175.92 2jtc n HIS 59 N -3.86 0.00 -3.79 -3.82 8.25 -1.16 -5.01 115.22 105.83 2jtc n HIS 59 Ca 0.08 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.21 2jtc n HIS 59 Cb 0.63 -0.51 0.03 0.00 1.12 0.00 0.00 29.99 31.27 2jtc n HIS 59 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2jtc n ASN 60 N -2.29 -4.33 0.00 0.41 3.02 0.16 -4.92 115.26 107.31 2jtc n ASN 60 Ca -0.14 -1.07 0.00 0.00 -0.03 0.00 0.00 54.58 53.34 2jtc n ASN 60 Cb 0.72 -3.03 0.00 0.00 -0.61 0.00 0.00 39.78 36.86 2jtc n ASN 60 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jtc n TYR 61 N -4.37 0.00 -1.97 3.10 9.36 -1.25 -4.72 117.16 117.31 2jtc n TYR 61 Ca -0.13 0.00 -0.39 0.00 3.32 0.00 0.00 57.90 60.70 2jtc n TYR 61 Cb 0.60 -0.25 -0.03 0.00 -0.63 0.00 0.00 39.34 39.04 2jtc n TYR 61 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 2jtc s PRO 62 N -0.61 2.67 0.54 2.98 0.04 -1.26 -4.75 135.00 134.61 2jtc s PRO 62 Ca 0.00 0.85 0.33 0.00 0.04 0.00 0.00 61.00 62.21 2jtc s PRO 62 Cb 0.00 -4.38 1.32 0.00 0.04 0.00 0.00 34.50 31.47 2jtc s PRO 62 CO 0.00 -2.67 1.97 -0.91 0.04 0.00 0.00 177.00 175.43 2jtc h ASN 63 N 15.24 0.00 -4.13 6.66 4.21 -1.85 -3.39 115.58 132.33 2jtc h ASN 63 Ca -0.27 0.00 -0.34 0.00 1.21 0.00 0.00 56.30 56.90 2jtc h ASN 63 Cb 1.18 0.00 -0.27 0.00 -1.12 0.00 0.00 38.32 38.11 2jtc h ASN 63 CO 1.18 0.03 -0.76 -0.75 -1.29 0.00 0.00 177.43 175.84 2jtc s LYS 64 N -3.67 0.56 0.57 0.81 2.20 -1.26 0.14 119.74 119.08 2jtc s LYS 64 Ca 0.01 -0.37 -0.21 0.00 -0.36 0.00 0.00 55.97 55.04 2jtc s LYS 64 Cb 0.09 -0.51 -0.05 0.00 -1.51 0.00 0.00 37.83 35.85 2jtc s LYS 64 CO 0.55 0.13 1.21 0.41 -0.36 0.00 0.00 175.35 177.30 2jtc n GLY 65 N 2.58 0.36 0.09 5.54 0.00 -0.71 -4.85 105.19 108.20 2jtc n GLY 65 Ca -0.15 -0.04 -0.19 0.00 0.00 0.00 0.00 46.02 45.65 2jtc n GLY 65 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2jtc h LEU 66 N 1.05 0.00 -7.60 0.99 6.46 -1.57 -3.39 115.31 111.25 2jtc h LEU 66 Ca -0.50 -0.62 -0.11 0.00 -0.12 0.00 0.00 57.88 56.53 2jtc h LEU 66 Cb 1.33 0.00 -0.18 0.00 -0.73 0.00 0.00 40.66 41.07 2jtc h LEU 66 CO 0.55 1.30 -0.32 -0.75 -0.62 0.00 0.00 178.44 178.60 2jtc s LYS 67 N -2.30 0.70 1.13 1.25 2.20 -1.18 -4.45 119.74 117.09 2jtc s LYS 67 Ca -0.25 -0.42 -0.18 0.00 -0.36 0.00 0.00 55.97 54.76 2jtc s LYS 67 Cb 0.03 0.30 0.26 0.00 -1.51 0.00 0.00 37.83 36.91 2jtc s LYS 67 CO 0.59 -0.21 1.18 -0.51 -0.36 0.00 0.00 175.35 176.05 2jtc s ASP 68 N -1.76 1.58 0.03 1.43 1.01 -1.26 -2.55 116.67 115.16 2jtc s ASP 68 Ca -0.09 0.51 -0.20 0.00 0.71 0.00 0.00 52.55 53.48 2jtc s ASP 68 Cb -0.03 -0.68 0.04 0.00 1.01 0.00 0.00 42.92 43.26 2jtc s ASP 68 CO -0.00 -3.70 0.45 -0.47 0.21 0.00 0.00 175.17 171.66 2jtc s TYR 69 N -3.29 -0.33 0.04 4.23 6.14 0.39 -4.79 117.35 119.74 2jtc s TYR 69 Ca 0.72 0.38 -0.25 0.00 0.64 0.00 0.00 57.07 58.56 2jtc s TYR 69 Cb -0.08 0.26 0.06 0.00 0.42 0.00 0.00 41.96 42.62 2jtc s TYR 69 CO 0.55 -0.58 0.58 -0.08 0.64 0.00 0.00 175.55 176.66 2jtc s THR 70 N -2.23 0.02 0.16 4.34 -1.32 -1.26 0.12 115.64 115.46 2jtc s THR 70 Ca -0.07 -0.13 -0.24 0.00 -1.21 0.00 0.00 61.69 60.05 2jtc s THR 70 Cb -0.01 -0.98 0.06 0.00 -1.51 0.00 0.00 72.50 70.07 2jtc s THR 70 CO -0.00 -0.07 0.70 -0.72 -2.21 0.00 0.00 174.62 172.31 2jtc s TYR 71 N -2.27 -0.41 -0.12 9.09 1.13 -0.58 -4.94 117.35 119.26 2jtc s TYR 71 Ca -0.06 0.15 -0.16 0.00 -1.41 0.00 0.00 57.07 55.59 2jtc s TYR 71 Cb -0.01 0.59 -0.05 0.00 -1.10 0.00 0.00 41.96 41.40 2jtc s TYR 71 CO -0.00 -0.88 0.39 0.99 -2.51 0.00 0.00 175.55 173.54 2jtc s THR 72 N -3.65 5.21 0.51 -3.49 2.01 -1.26 -0.45 115.64 114.53 2jtc s THR 72 Ca 0.04 0.77 -0.20 0.00 0.31 0.00 0.00 61.69 62.62 2jtc s THR 72 Cb -0.02 -3.72 -0.11 0.00 0.01 0.00 0.00 72.50 68.66 2jtc s THR 72 CO -0.07 0.39 0.46 -0.11 -0.69 0.00 0.00 174.62 174.60 2jtc n LEU 73 N 3.34 0.00 -4.76 4.42 7.94 0.40 -4.85 117.00 123.48 2jtc n LEU 73 Ca -0.10 0.79 -0.39 0.00 -1.11 0.00 0.00 56.01 55.20 2jtc n LEU 73 Cb 0.52 -1.12 0.02 0.00 0.53 0.00 0.00 43.42 43.37 2jtc n LEU 73 CO 0.41 -3.18 1.03 -0.55 -1.11 0.00 0.00 177.39 173.99 2jtc s SER 74 N -1.06 5.85 0.00 1.96 0.15 -1.26 -4.82 113.70 114.52 2jtc s SER 74 Ca 0.65 2.84 0.15 0.00 0.70 0.00 0.00 55.95 60.29 2jtc s SER 74 Cb -0.51 -2.65 0.83 0.00 -1.71 0.00 0.00 66.02 61.99 2jtc s SER 74 CO 0.57 -1.18 1.36 -0.24 1.20 0.00 0.00 173.24 174.95 2jtc n SER 75 N -0.28 0.00 -0.58 5.45 2.88 -1.26 -1.69 113.62 118.13 2jtc n SER 75 Ca 0.06 -0.21 0.11 0.00 -1.33 0.00 0.00 58.87 57.50 2jtc n SER 75 Cb 0.43 -0.14 0.04 0.00 -0.75 0.00 0.00 64.21 63.79 2jtc n SER 75 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2jtc n ASN 76 N -1.14 2.19 -4.60 -3.46 3.02 -1.26 -4.89 115.26 105.12 2jtc n ASN 76 Ca 0.09 -1.59 -0.43 0.00 -0.03 0.00 0.00 54.58 52.62 2jtc n ASN 76 Cb 0.08 0.35 -0.02 0.00 -0.61 0.00 0.00 39.78 39.58 2jtc n ASN 76 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2jtc s ASN 77 N -2.37 6.12 -0.13 6.41 3.84 -0.68 -4.83 114.94 123.29 2jtc s ASN 77 Ca 0.21 1.19 0.08 0.00 0.21 0.00 0.00 52.86 54.54 2jtc s ASN 77 Cb 0.19 -2.53 0.45 0.00 -0.55 0.00 0.00 41.25 38.81 2jtc s ASN 77 CO 0.51 -1.55 1.19 -0.81 -2.79 0.00 0.00 177.10 173.66 2jtc n PRO 78 N 8.20 3.13 -0.03 0.43 -0.04 -1.26 -4.04 135.00 141.39 2jtc n PRO 78 Ca 0.20 -1.73 -0.02 0.00 -0.04 0.00 0.00 63.50 61.91 2jtc n PRO 78 Cb 0.47 -1.92 -0.05 0.00 -0.04 0.00 0.00 33.50 31.96 2jtc n PRO 78 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2jtc n TYR 79 N 0.33 0.00 -4.44 0.54 4.01 -1.26 -3.02 117.16 113.31 2jtc n TYR 79 Ca 0.16 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.64 2jtc n TYR 79 Cb 0.78 -0.27 -0.10 0.00 -0.31 0.00 0.00 39.34 39.45 2jtc n TYR 79 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2jtc s PHE 80 N -2.19 2.47 0.00 -0.72 0.40 -1.26 0.27 117.98 116.95 2jtc s PHE 80 Ca -0.03 -0.47 0.00 0.00 -0.60 0.00 0.00 56.93 55.84 2jtc s PHE 80 Cb 0.02 -1.43 0.00 0.00 0.51 0.00 0.00 43.02 42.12 2jtc s PHE 80 CO 0.25 0.53 0.43 0.09 0.70 0.00 0.00 175.22 177.22 2jtc n ASN 81 N -0.87 0.00 0.00 1.36 3.02 -1.26 -4.88 115.26 112.63 2jtc n ASN 81 Ca -0.05 0.43 0.00 0.00 -0.03 0.00 0.00 54.58 54.93 2jtc n ASN 81 Cb 0.63 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.80 2jtc n ASN 81 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2jtc n HIS 82 N -0.70 0.00 -0.98 3.10 8.25 -1.26 -4.96 115.22 118.67 2jtc n HIS 82 Ca 0.00 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.25 2jtc n HIS 82 Cb 0.00 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.01 2jtc n HIS 82 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2jtc n PRO 83 N 0.00 2.38 -3.63 -0.41 -0.04 -1.26 -4.21 135.00 127.83 2jtc n PRO 83 Ca 0.00 -1.35 -0.40 0.00 -0.04 0.00 0.00 63.50 61.72 2jtc n PRO 83 Cb 0.00 -2.26 -0.11 0.00 -0.04 0.00 0.00 33.50 31.09 2jtc n PRO 83 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2jtc s LYS 84 N 1.81 2.66 -0.11 0.54 2.47 -1.26 -4.96 119.74 120.89 2jtc s LYS 84 Ca 0.59 -1.32 -0.06 0.00 -1.56 0.00 0.00 55.97 53.63 2jtc s LYS 84 Cb 0.23 -3.71 -0.04 0.00 -1.46 0.00 0.00 37.83 32.85 2jtc s LYS 84 CO -0.02 -0.84 0.12 -0.80 0.16 0.00 0.00 175.35 173.97 2jtc s ASN 85 N 1.84 6.23 0.09 1.43 -0.87 -1.26 0.15 114.94 122.56 2jtc s ASN 85 Ca 0.02 0.42 0.06 0.00 -1.57 0.00 0.00 52.86 51.79 2jtc s ASN 85 Cb -0.21 -1.99 -0.04 0.00 -0.02 0.00 0.00 41.25 38.99 2jtc s ASN 85 CO 0.03 0.40 -0.06 -0.76 -2.57 0.00 0.00 177.10 174.14 2jtc s LEU 86 N -1.04 3.20 -0.05 0.60 1.02 0.41 -4.91 118.68 117.91 2jtc s LEU 86 Ca 0.15 -0.29 -0.01 0.00 0.02 0.00 0.00 54.13 54.00 2jtc s LEU 86 Cb -0.12 -1.96 0.03 0.00 0.02 0.00 0.00 46.19 44.16 2jtc s LEU 86 CO 0.04 0.19 0.01 0.12 0.02 0.00 0.00 176.35 176.73 2jtc s PHE 87 N -1.23 0.43 -0.32 0.29 5.36 -1.26 -1.52 117.98 119.72 2jtc s PHE 87 Ca 0.22 -0.02 -0.08 0.00 -0.96 0.00 0.00 56.93 56.10 2jtc s PHE 87 Cb -0.11 -0.61 0.02 0.00 -0.34 0.00 0.00 43.02 41.98 2jtc s PHE 87 CO 0.15 -0.23 0.12 0.00 -1.46 0.00 0.00 175.22 173.80 2jtc s ALA 88 N 1.70 3.14 -0.12 11.12 0.00 0.32 -4.94 121.76 132.99 2jtc s ALA 88 Ca 0.00 -1.57 -0.05 0.00 0.00 0.00 0.00 51.96 50.35 2jtc s ALA 88 Cb -0.13 -2.31 -0.19 0.00 0.00 0.00 0.00 23.12 20.50 2jtc s ALA 88 CO -0.03 -1.11 2.77 0.00 0.00 0.00 0.00 175.76 177.38 2jtc n ALA 89 N 4.90 5.05 -0.22 0.00 0.00 -1.26 -0.46 120.51 128.51 2jtc n ALA 89 Ca -0.13 -1.47 0.02 0.00 0.00 0.00 0.00 53.44 51.86 2jtc n ALA 89 Cb 0.47 -2.38 0.14 0.00 0.00 0.00 0.00 19.45 17.67 2jtc n ALA 89 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2jtc h ILE 90 N 2.36 0.71 -0.99 0.00 2.04 -1.87 0.37 117.51 120.12 2jtc h ILE 90 Ca 0.19 -0.14 0.29 0.00 1.00 0.00 0.00 64.86 66.20 2jtc h ILE 90 Cb 1.03 0.27 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 2jtc h ILE 90 CO 0.43 0.07 0.96 0.77 0.00 0.00 0.00 178.15 180.37 2jtc h SER 91 N 0.40 0.00 -0.76 1.72 4.64 -1.69 1.61 113.55 119.46 2jtc h SER 91 Ca 0.35 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 61.15 2jtc h SER 91 Cb 0.48 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 62.26 2jtc h SER 91 CO -0.36 0.00 -0.07 0.35 -0.87 0.00 0.00 176.83 175.88 2jtc n THR 92 N -3.61 2.93 -3.58 2.95 -2.24 0.13 -4.47 114.28 106.37 2jtc n THR 92 Ca 0.21 -3.44 -0.27 0.00 -2.27 0.00 0.00 64.05 58.28 2jtc n THR 92 Cb 1.27 -0.97 -0.03 0.00 -2.10 0.00 0.00 70.33 68.51 2jtc n THR 92 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2jtc s ARG 93 N -3.60 3.55 -0.52 -0.78 1.81 0.55 -4.90 118.95 115.06 2jtc s ARG 93 Ca 0.55 -0.25 0.02 0.00 -1.72 0.00 0.00 55.73 54.32 2jtc s ARG 93 Cb 0.45 -2.78 0.13 0.00 -0.45 0.00 0.00 34.95 32.30 2jtc s ARG 93 CO 0.02 0.34 0.28 -1.14 -0.68 0.00 0.00 175.30 174.11 2jtc s GLN 94 N -3.45 2.09 -1.00 3.54 -0.44 -1.26 -1.74 119.66 117.39 2jtc s GLN 94 Ca 0.40 -2.46 -0.23 0.00 -2.50 0.00 0.00 55.36 50.57 2jtc s GLN 94 Cb -0.11 -3.44 0.06 0.00 -1.64 0.00 0.00 33.01 27.88 2jtc s GLN 94 CO 0.30 -1.10 1.40 0.71 0.50 0.00 0.00 175.29 177.10 2jtc s TYR 95 N -0.00 2.60 -0.95 1.67 2.02 0.36 -4.92 117.35 118.13 2jtc s TYR 95 Ca 0.16 -0.89 -0.24 0.00 -0.37 0.00 0.00 57.07 55.73 2jtc s TYR 95 Cb -0.23 -4.65 0.04 0.00 -0.40 0.00 0.00 41.96 36.72 2jtc s TYR 95 CO -0.02 -1.89 1.47 1.21 -1.57 0.00 0.00 175.55 174.75 2jtc s ASN 96 N 4.78 6.29 0.00 2.29 2.47 -1.26 -4.45 114.94 125.07 2jtc s ASN 96 Ca 0.44 -1.15 0.01 0.00 0.42 0.00 0.00 52.86 52.58 2jtc s ASN 96 Cb -0.01 -2.57 0.05 0.00 -1.45 0.00 0.00 41.25 37.27 2jtc s ASN 96 CO -0.09 -1.70 0.99 0.79 -3.72 0.00 0.00 177.10 173.38 2jtc n TRP 97 N 9.49 0.00 0.09 0.43 7.02 -1.26 0.36 117.44 133.58 2jtc n TRP 97 Ca 0.27 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.86 2jtc n TRP 97 Cb 0.50 -0.46 -0.02 0.00 -2.42 0.00 0.00 31.31 28.92 2jtc n TRP 97 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 2jtc n ASN 98 N -1.46 0.79 -0.03 -0.99 3.02 -1.26 -3.96 115.26 111.37 2jtc n ASN 98 Ca 0.00 0.31 -0.14 0.00 -0.03 0.00 0.00 54.58 54.72 2jtc n ASN 98 Cb 0.01 0.54 -0.14 0.00 -0.61 0.00 0.00 39.78 39.58 2jtc n ASN 98 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2jtc n ASN 99 N -2.66 1.35 -4.56 6.41 4.13 0.16 -4.67 115.26 115.42 2jtc n ASN 99 Ca -0.01 0.25 -0.36 0.00 1.68 0.00 0.00 54.58 56.14 2jtc n ASN 99 Cb 0.57 -0.29 -0.04 0.00 -1.54 0.00 0.00 39.78 38.49 2jtc n ASN 99 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2jtc s ILE 100 N -2.57 3.57 0.59 2.41 1.01 -0.09 -4.66 121.20 121.46 2jtc s ILE 100 Ca -0.14 -0.17 -0.17 0.00 0.00 0.00 0.00 60.65 60.17 2jtc s ILE 100 Cb 0.07 -4.38 -0.03 0.00 0.01 0.00 0.00 42.46 38.13 2jtc s ILE 100 CO 0.79 -1.32 1.09 -0.76 0.00 0.00 0.00 174.94 174.74 2jtc s LEU 101 N 7.92 3.56 0.12 2.97 1.43 -1.26 -4.90 118.68 128.53 2jtc s LEU 101 Ca 0.58 1.99 0.06 0.00 -1.03 0.00 0.00 54.13 55.73 2jtc s LEU 101 Cb -0.07 -4.56 -0.21 0.00 0.03 0.00 0.00 46.19 41.38 2jtc s LEU 101 CO 0.06 -1.31 1.27 1.55 0.23 0.00 0.00 176.35 178.15 2jtc h PRO 102 N 0.62 0.02 -3.78 1.29 0.13 -1.84 -3.45 132.00 124.99 2jtc h PRO 102 Ca -0.48 -0.03 -0.37 0.00 -0.87 0.00 0.00 66.00 64.25 2jtc h PRO 102 Cb 1.24 0.01 -0.35 0.00 0.13 0.00 0.00 31.00 32.04 2jtc h PRO 102 CO 0.56 1.01 -0.76 -0.08 -0.23 0.00 0.00 178.00 178.51 2jtc s THR 103 N -2.71 0.28 -0.07 1.56 -1.32 -0.97 0.26 115.64 112.67 2jtc s THR 103 Ca 0.01 0.05 0.02 0.00 -1.21 0.00 0.00 61.69 60.55 2jtc s THR 103 Cb 0.10 -0.37 -0.03 0.00 -1.51 0.00 0.00 72.50 70.69 2jtc s THR 103 CO 0.82 0.18 -0.11 -0.31 -2.21 0.00 0.00 174.62 173.00 2jtc s TYR 104 N 1.15 2.82 -2.80 9.09 1.51 -1.24 -4.91 117.35 122.97 2jtc s TYR 104 Ca -0.08 -0.17 0.24 0.00 -1.01 0.00 0.00 57.07 56.05 2jtc s TYR 104 Cb -0.14 -1.71 0.29 0.00 -0.11 0.00 0.00 41.96 40.30 2jtc s TYR 104 CO -0.02 0.17 1.32 -1.13 -1.11 0.00 0.00 175.55 174.78 2jtc n SER 105 N 2.52 3.19 0.00 2.29 3.41 -1.26 -4.92 113.62 118.85 2jtc n SER 105 Ca -0.18 -2.00 0.00 0.00 -0.26 0.00 0.00 58.87 56.44 2jtc n SER 105 Cb 0.53 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 2jtc n SER 105 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jtc n GLY 106 N 1.42 0.93 0.02 5.00 0.00 -1.26 -4.82 105.19 106.48 2jtc n GLY 106 Ca 0.16 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.21 2jtc n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jtc n ARG 107 N -2.01 2.43 -1.35 1.61 1.74 -1.26 -4.95 116.66 112.87 2jtc n ARG 107 Ca 0.00 -1.84 -0.29 0.00 -0.77 0.00 0.00 57.85 54.95 2jtc n ARG 107 Cb 0.00 -1.16 0.16 0.00 -1.02 0.00 0.00 32.46 30.44 2jtc n ARG 107 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2jtc s GLU 108 N -1.60 0.69 1.29 5.56 8.01 -1.26 -5.01 118.70 126.39 2jtc s GLU 108 Ca 0.10 0.36 -0.17 0.00 0.01 0.00 0.00 54.97 55.28 2jtc s GLU 108 Cb 0.09 -1.78 0.33 0.00 -4.31 0.00 0.00 34.13 28.46 2jtc s GLU 108 CO 0.01 -2.52 0.98 -1.54 0.01 0.00 0.00 175.26 172.20 2jtc s SER 109 N -3.77 -0.03 -0.04 -0.19 1.04 -1.26 -4.85 113.70 104.61 2jtc s SER 109 Ca 0.65 1.24 -0.21 0.00 0.48 0.00 0.00 55.95 58.11 2jtc s SER 109 Cb -0.16 -1.88 -0.31 0.00 0.10 0.00 0.00 66.02 63.77 2jtc s SER 109 CO 0.55 -4.78 0.92 0.78 0.98 0.00 0.00 173.24 171.69 2jtc h ASN 110 N -3.02 0.51 -0.50 7.02 2.35 -1.99 -2.97 115.58 116.97 2jtc h ASN 110 Ca -0.55 -0.94 0.09 0.00 -0.55 0.00 0.00 56.30 54.35 2jtc h ASN 110 Cb 1.34 -0.16 -0.07 0.00 0.05 0.00 0.00 38.32 39.47 2jtc h ASN 110 CO 0.42 1.41 0.07 0.58 -1.65 0.00 0.00 177.43 178.26 2jtc h VAL 111 N -0.31 0.69 -0.52 2.81 2.07 -1.99 0.26 116.25 119.25 2jtc h VAL 111 Ca -0.15 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 2jtc h VAL 111 Cb 1.67 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 2jtc h VAL 111 CO 0.16 0.04 0.21 1.56 0.02 0.00 0.00 177.57 179.56 2jtc h GLN 112 N 0.20 0.78 -0.61 1.57 4.20 -1.83 -1.98 115.11 117.44 2jtc h GLN 112 Ca 0.25 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 2jtc h GLN 112 Cb 0.35 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 2jtc h GLN 112 CO -0.35 0.68 0.37 0.87 -0.67 0.00 0.00 178.83 179.73 2jtc h LYS 113 N 0.70 0.82 -0.33 1.46 1.57 -1.03 -2.19 116.57 117.57 2jtc h LYS 113 Ca 0.17 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2jtc h LYS 113 Cb 0.20 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 2jtc h LYS 113 CO -0.01 0.57 0.22 1.98 -0.57 0.00 0.00 179.45 181.63 2jtc h MET 114 N 0.83 0.43 -0.09 3.15 4.05 0.18 0.18 114.93 123.67 2jtc h MET 114 Ca 0.22 -0.03 0.02 0.00 -0.28 0.00 0.00 59.70 59.64 2jtc h MET 114 Cb -0.04 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 30.63 2jtc h MET 114 CO -0.04 0.29 -0.05 0.00 0.23 0.00 0.00 176.91 177.34 2jtc h ALA 115 N 1.12 0.03 -0.12 0.39 0.00 -0.95 0.13 119.26 119.86 2jtc h ALA 115 Ca 0.12 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 2jtc h ALA 115 Cb -0.05 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2jtc h ALA 115 CO -0.03 -0.51 -0.11 0.97 0.00 0.00 0.00 179.25 179.57 2jtc h ILE 116 N -0.05 1.35 -0.99 0.00 6.09 -1.38 -0.40 117.51 122.13 2jtc h ILE 116 Ca 0.05 -1.25 0.14 0.00 -1.37 0.00 0.00 64.86 62.43 2jtc h ILE 116 Cb 0.13 1.90 -0.09 0.00 0.47 0.00 0.00 36.82 39.23 2jtc h ILE 116 CO -0.12 0.36 0.61 0.77 -3.07 0.00 0.00 178.15 176.70 2jtc h SER 117 N -0.09 0.87 -0.18 2.19 4.64 -0.49 0.36 113.55 120.85 2jtc h SER 117 Ca 0.02 0.06 -0.07 0.00 -0.47 0.00 0.00 61.79 61.33 2jtc h SER 117 Cb 0.62 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.60 2jtc h SER 117 CO 0.03 0.42 -0.18 -0.08 -0.87 0.00 0.00 176.83 176.15 2jtc h GLU 118 N 0.91 0.43 -0.41 4.77 4.57 -0.62 0.19 114.58 124.42 2jtc h GLU 118 Ca 0.51 -0.23 0.08 0.00 -1.18 0.00 0.00 59.36 58.55 2jtc h GLU 118 Cb 0.59 0.01 -0.08 0.00 -0.16 0.00 0.00 28.75 29.11 2jtc h GLU 118 CO -0.30 0.80 -0.12 1.25 -1.18 0.00 0.00 179.01 179.46 2jtc h LEU 119 N 0.09 -0.43 -0.31 1.64 5.85 0.73 1.90 115.31 124.78 2jtc h LEU 119 Ca 0.03 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 2jtc h LEU 119 Cb 0.72 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 2jtc h LEU 119 CO 0.04 -0.15 0.18 0.24 -0.34 0.00 0.00 178.44 178.42 2jtc h MET 120 N -0.02 0.42 -0.69 1.25 2.86 -0.20 0.70 114.93 119.25 2jtc h MET 120 Ca 0.20 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.73 2jtc h MET 120 Cb 0.32 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.87 2jtc h MET 120 CO -0.44 0.32 0.15 0.00 1.06 0.00 0.00 176.91 178.00 2jtc h ALA 121 N 1.07 0.96 -0.28 6.32 0.00 0.12 2.85 119.26 130.30 2jtc h ALA 121 Ca 0.11 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2jtc h ALA 121 Cb 0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2jtc h ALA 121 CO -0.02 0.66 0.07 -0.44 0.00 0.00 0.00 179.25 179.52 2jtc h ASP 122 N 1.05 0.42 0.39 0.00 3.32 0.34 0.19 116.42 122.13 2jtc h ASP 122 Ca 0.22 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 2jtc h ASP 122 Cb 0.39 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.83 2jtc h ASP 122 CO 0.01 0.54 -0.19 0.58 -1.72 0.00 0.00 179.24 178.46 2jtc h VAL 123 N 0.29 0.16 -0.76 -1.35 2.07 0.94 0.07 116.25 117.66 2jtc h VAL 123 Ca 0.09 -0.65 0.17 0.00 0.82 0.00 0.00 66.70 67.13 2jtc h VAL 123 Cb 0.28 0.26 -0.14 0.00 -1.52 0.00 0.00 31.29 30.17 2jtc h VAL 123 CO 0.00 0.04 -0.05 1.23 0.02 0.00 0.00 177.57 178.81 2jtc h GLY 124 N -1.10 0.78 0.84 2.17 0.00 0.50 0.53 103.07 106.79 2jtc h GLY 124 Ca -0.05 0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.39 2jtc h GLY 124 CO 0.09 -0.30 -0.33 -2.22 0.00 0.00 0.00 176.54 173.79 2jtc h ILE 125 N 0.07 0.22 -1.14 2.60 2.04 -1.00 0.24 117.51 120.54 2jtc h ILE 125 Ca 0.41 -0.22 0.33 0.00 1.00 0.00 0.00 64.86 66.38 2jtc h ILE 125 Cb 0.70 0.28 -0.05 0.00 -0.74 0.00 0.00 36.82 37.01 2jtc h ILE 125 CO -0.70 0.02 0.87 0.77 0.00 0.00 0.00 178.15 179.11 2jtc h SER 126 N -1.08 0.00 -0.98 1.72 4.64 0.11 0.56 113.55 118.52 2jtc h SER 126 Ca -0.09 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.60 2jtc h SER 126 Cb 0.73 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 62.53 2jtc h SER 126 CO 0.15 0.00 0.77 1.33 -0.87 0.00 0.00 176.83 178.21 2jtc n VAL 127 N -4.05 3.49 -4.06 0.95 0.24 0.16 -4.77 118.33 110.30 2jtc n VAL 127 Ca 0.25 -2.70 -0.27 0.00 -2.04 0.00 0.00 64.34 59.58 2jtc n VAL 127 Cb 1.25 -0.97 -0.08 0.00 -1.47 0.00 0.00 33.84 32.56 2jtc n VAL 127 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2jtc n ASP 128 N -0.98 0.74 -4.72 -1.34 8.00 0.20 -3.90 116.55 114.55 2jtc n ASP 128 Ca 0.61 -1.10 -0.42 0.00 0.71 0.00 0.00 54.79 54.60 2jtc n ASP 128 Cb 0.93 -1.36 -0.03 0.00 -0.02 0.00 0.00 41.12 40.64 2jtc n ASP 128 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 2jtc s MET 129 N -6.76 4.25 -0.22 -1.24 1.75 0.81 -4.42 119.30 113.48 2jtc s MET 129 Ca 0.01 2.28 -0.29 0.00 -1.25 0.00 0.00 55.69 56.43 2jtc s MET 129 Cb -0.00 -3.17 -0.00 0.00 2.84 0.00 0.00 34.83 34.49 2jtc s MET 129 CO 0.85 -0.54 1.22 0.34 -0.65 0.00 0.00 175.02 176.24 2jtc s ASP 130 N 1.05 6.91 -0.39 1.11 -1.08 0.21 -4.86 116.67 119.61 2jtc s ASP 130 Ca 0.67 1.49 -0.14 0.00 -0.52 0.00 0.00 52.55 54.05 2jtc s ASP 130 Cb -0.42 -2.54 0.02 0.00 -1.46 0.00 0.00 42.92 38.52 2jtc s ASP 130 CO 0.32 -0.82 0.27 -0.31 0.52 0.00 0.00 175.17 175.15 2jtc s TYR 131 N 3.65 3.24 0.01 -5.34 2.02 -1.26 -2.53 117.35 117.14 2jtc s TYR 131 Ca 0.52 -0.65 -0.00 0.00 -0.37 0.00 0.00 57.07 56.57 2jtc s TYR 131 Cb -0.19 -2.54 0.00 0.00 -0.40 0.00 0.00 41.96 38.83 2jtc s TYR 131 CO 0.15 -0.58 0.02 0.41 -1.57 0.00 0.00 175.55 173.97 2jtc n GLY 132 N 5.11 2.96 0.32 0.71 0.00 -1.26 -4.82 105.19 108.21 2jtc n GLY 132 Ca -0.11 -1.34 0.21 0.00 0.00 0.00 0.00 46.02 44.77 2jtc n GLY 132 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jtc h PRO 133 N 0.00 0.00 -5.76 1.61 0.13 -1.90 2.03 132.00 128.11 2jtc h PRO 133 Ca -0.01 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.45 2jtc h PRO 133 Cb 0.04 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 30.96 2jtc h PRO 133 CO 0.01 0.01 -0.70 -1.12 -0.23 0.00 0.00 178.00 175.97 2jtc s SER 134 N -5.39 4.55 -0.23 1.44 0.01 -1.26 -4.18 113.70 108.63 2jtc s SER 134 Ca -0.04 -0.12 0.01 0.00 1.31 0.00 0.00 55.95 57.12 2jtc s SER 134 Cb 0.12 -1.41 0.06 0.00 0.21 0.00 0.00 66.02 65.00 2jtc s SER 134 CO 0.46 0.27 -0.08 -0.44 0.41 0.00 0.00 173.24 173.86 2jtc s SER 135 N -0.25 3.93 -0.14 2.44 0.01 -1.26 -4.59 113.70 113.84 2jtc s SER 135 Ca 0.03 -1.18 -0.03 0.00 1.31 0.00 0.00 55.95 56.08 2jtc s SER 135 Cb -0.13 -1.31 -0.03 0.00 0.21 0.00 0.00 66.02 64.77 2jtc s SER 135 CO 0.03 -0.20 -0.05 -0.83 0.41 0.00 0.00 173.24 172.60 2jtc s GLY 136 N 1.30 1.70 0.00 3.44 0.00 -1.05 -3.56 107.32 109.16 2jtc s GLY 136 Ca -0.06 -0.83 0.00 0.00 0.00 0.00 0.00 44.72 43.83 2jtc s GLY 136 CO -0.06 -0.14 0.00 -1.26 0.00 0.00 0.00 173.10 171.64 2jtc n SER 137 N 3.40 1.01 -0.08 1.64 2.88 -1.26 0.64 113.62 121.84 2jtc n SER 137 Ca -0.17 -0.35 -0.12 0.00 -1.33 0.00 0.00 58.87 56.90 2jtc n SER 137 Cb 0.53 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.93 2jtc n SER 137 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jtc h ALA 138 N 0.27 0.11 0.00 -1.46 0.00 -1.77 -3.05 119.26 113.35 2jtc h ALA 138 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.13 2jtc h ALA 138 Cb 0.00 0.59 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2jtc h ALA 138 CO 0.00 0.58 0.00 0.41 0.00 0.00 0.00 179.25 180.24 2jtc n GLY 139 N 1.55 0.37 0.23 0.00 0.00 -1.26 -2.46 105.19 103.62 2jtc n GLY 139 Ca -0.17 -1.05 -0.03 0.00 0.00 0.00 0.00 46.02 44.77 2jtc n GLY 139 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2jtc h SER 140 N 0.00 0.41 -0.90 1.61 0.02 -1.93 -0.11 113.55 112.65 2jtc h SER 140 Ca 0.00 0.04 0.24 0.00 -0.84 0.00 0.00 61.79 61.23 2jtc h SER 140 Cb 0.00 -0.04 -0.14 0.00 0.14 0.00 0.00 62.40 62.36 2jtc h SER 140 CO 0.00 0.27 0.33 0.77 -1.14 0.00 0.00 176.83 177.06 2jtc h SER 141 N 0.55 0.17 0.22 3.07 4.64 -1.96 1.63 113.55 121.87 2jtc h SER 141 Ca 0.26 0.18 -0.34 0.00 -0.47 0.00 0.00 61.79 61.43 2jtc h SER 141 Cb 0.18 0.21 0.03 0.00 -0.31 0.00 0.00 62.40 62.51 2jtc h SER 141 CO -0.18 -0.11 -1.57 0.03 -0.87 0.00 0.00 176.83 174.12 2jtc h ARG 142 N 0.28 0.47 0.26 4.77 2.47 -1.78 -2.97 114.38 117.88 2jtc h ARG 142 Ca 0.58 -0.81 -0.01 0.00 -1.26 0.00 0.00 59.98 58.48 2jtc h ARG 142 Cb 1.18 0.30 0.00 0.00 -1.65 0.00 0.00 29.97 29.80 2jtc h ARG 142 CO -0.61 1.39 -0.12 0.28 0.56 0.00 0.00 179.97 181.46 2jtc h VAL 143 N 0.10 0.75 -0.60 2.04 2.07 0.98 1.29 116.25 122.89 2jtc h VAL 143 Ca -0.29 -0.73 0.09 0.00 0.82 0.00 0.00 66.70 66.58 2jtc h VAL 143 Cb 2.12 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 32.98 2jtc h VAL 143 CO 0.23 0.14 0.40 0.06 0.02 0.00 0.00 177.57 178.42 2jtc h GLN 144 N -0.76 0.44 0.01 1.57 -0.00 0.21 0.82 115.11 117.39 2jtc h GLN 144 Ca -0.04 -0.03 -0.04 0.00 -0.00 0.00 0.00 58.65 58.55 2jtc h GLN 144 Cb 0.50 -0.10 0.00 0.00 -0.00 0.00 0.00 27.48 27.89 2jtc h GLN 144 CO 0.06 0.29 -0.17 -0.09 -0.00 0.00 0.00 178.83 178.91 2jtc h ARG 145 N 0.45 0.10 -0.40 0.06 2.43 -1.34 -3.19 114.38 112.49 2jtc h ARG 145 Ca 0.27 -0.12 -0.04 0.00 -0.81 0.00 0.00 59.98 59.28 2jtc h ARG 145 Cb 0.47 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 2jtc h ARG 145 CO -0.08 0.93 0.09 0.00 -1.51 0.00 0.00 179.97 179.40 2jtc h ALA 146 N 0.17 1.40 -0.26 2.80 0.00 0.24 0.75 119.26 124.37 2jtc h ALA 146 Ca -0.03 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.74 2jtc h ALA 146 Cb 1.00 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2jtc h ALA 146 CO 0.03 0.43 0.13 -0.07 0.00 0.00 0.00 179.25 179.77 2jtc h LEU 147 N 0.58 0.18 0.09 0.00 3.38 0.57 0.25 115.31 120.37 2jtc h LEU 147 Ca 0.13 0.01 -0.32 0.00 0.09 0.00 0.00 57.88 57.80 2jtc h LEU 147 Cb 0.24 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2jtc h LEU 147 CO -0.00 0.14 -1.69 0.11 0.09 0.00 0.00 178.44 177.09 2jtc h LYS 148 N 0.27 0.20 0.06 1.13 1.57 -1.47 1.12 116.57 119.44 2jtc h LYS 148 Ca 0.11 -0.34 -0.00 0.00 -1.87 0.00 0.00 60.65 58.54 2jtc h LYS 148 Cb 0.03 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2jtc h LYS 148 CO -0.08 1.01 -0.03 0.93 -0.57 0.00 0.00 179.45 180.71 2jtc h GLU 149 N 0.05 -0.08 0.20 3.15 5.08 0.56 -2.14 114.58 121.40 2jtc h GLU 149 Ca -0.30 0.01 -0.34 0.00 -1.00 0.00 0.00 59.36 57.72 2jtc h GLU 149 Cb 2.02 0.02 0.01 0.00 0.50 0.00 0.00 28.75 31.30 2jtc h GLU 149 CO 0.12 0.36 -1.66 -0.91 -1.00 0.00 0.00 179.01 175.93 2jtc h ASN 150 N -0.97 0.65 -0.02 1.42 4.21 -0.79 -3.36 115.58 116.71 2jtc h ASN 150 Ca -0.01 -0.93 0.00 0.00 1.21 0.00 0.00 56.30 56.57 2jtc h ASN 150 Cb 0.48 -0.21 0.00 0.00 -1.12 0.00 0.00 38.32 37.47 2jtc h ASN 150 CO 0.01 1.76 -0.20 0.49 -1.29 0.00 0.00 177.43 178.21 2jtc n PHE 151 N -3.66 0.00 -3.46 1.19 3.72 0.48 -2.02 117.46 113.70 2jtc n PHE 151 Ca -0.23 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 56.92 2jtc n PHE 151 Cb 1.06 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.61 2jtc n PHE 151 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jtc n GLY 152 N 1.24 -0.49 3.62 1.37 0.00 0.85 -4.57 105.19 107.19 2jtc n GLY 152 Ca 0.10 0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 2jtc n GLY 152 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jtc s TYR 153 N -3.07 1.63 0.47 1.61 1.51 0.35 -4.84 117.35 115.01 2jtc s TYR 153 Ca 0.46 1.51 -0.21 0.00 -1.01 0.00 0.00 57.07 57.82 2jtc s TYR 153 Cb -0.23 -3.22 -0.11 0.00 -0.11 0.00 0.00 41.96 38.28 2jtc s TYR 153 CO 0.56 -3.12 0.54 -1.71 -1.11 0.00 0.00 175.55 170.72 2jtc n ASN 154 N -4.42 -0.90 0.32 2.29 5.15 0.12 -4.59 115.26 113.23 2jtc n ASN 154 Ca 0.08 0.86 0.16 0.00 -0.60 0.00 0.00 54.58 55.07 2jtc n ASN 154 Cb 0.53 -1.14 0.82 0.00 -0.53 0.00 0.00 39.78 39.47 2jtc n ASN 154 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 2jtc h GLN 155 N 0.65 0.00 0.00 1.20 1.08 -1.88 0.72 115.11 116.88 2jtc h GLN 155 Ca -0.42 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.78 2jtc h GLN 155 Cb 1.40 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.83 2jtc h GLN 155 CO 0.50 0.00 0.24 0.66 -0.95 0.00 0.00 178.83 179.28 2jtc h SER 156 N 0.00 0.00 -2.57 1.46 4.64 -1.84 -3.40 113.55 111.84 2jtc h SER 156 Ca 0.01 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.79 2jtc h SER 156 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 2jtc h SER 156 CO -0.00 0.00 1.11 -0.69 -0.87 0.00 0.00 176.83 176.38 2jtc s VAL 157 N -3.57 3.41 0.07 0.95 1.01 0.24 -4.54 120.40 117.96 2jtc s VAL 157 Ca -0.02 0.54 -0.09 0.00 0.00 0.00 0.00 61.98 62.40 2jtc s VAL 157 Cb 0.06 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 33.09 2jtc s VAL 157 CO 0.18 -0.04 0.20 -1.38 0.00 0.00 0.00 175.10 174.06 2jtc s HIS 158 N 3.98 0.09 0.17 5.22 -3.43 -1.19 -4.95 115.29 115.17 2jtc s HIS 158 Ca 0.77 -0.41 0.04 0.00 -0.80 0.00 0.00 55.06 54.65 2jtc s HIS 158 Cb -0.36 -0.03 -0.04 0.00 -1.43 0.00 0.00 32.58 30.73 2jtc s HIS 158 CO 0.32 -0.50 0.25 -1.14 -2.00 0.00 0.00 174.74 171.67 2jtc s GLN 159 N -3.25 3.26 0.04 -0.38 0.74 -1.26 -1.98 119.66 116.83 2jtc s GLN 159 Ca 0.00 -0.72 0.00 0.00 0.05 0.00 0.00 55.36 54.70 2jtc s GLN 159 Cb 0.02 -2.84 -0.03 0.00 1.10 0.00 0.00 33.01 31.26 2jtc s GLN 159 CO -0.08 0.49 -0.05 0.96 -0.55 0.00 0.00 175.29 176.07 2jtc s ILE 160 N -1.79 0.31 -0.51 -2.34 -4.36 0.19 -4.93 121.20 107.77 2jtc s ILE 160 Ca 0.33 -1.34 -0.07 0.00 -0.26 0.00 0.00 60.65 59.31 2jtc s ILE 160 Cb -0.10 -0.88 0.13 0.00 1.25 0.00 0.00 42.46 42.86 2jtc s ILE 160 CO 0.27 -0.67 0.36 0.20 0.24 0.00 0.00 174.94 175.34 2jtc s ASN 161 N -2.11 5.59 0.51 4.36 0.02 -1.26 -0.25 114.94 121.80 2jtc s ASN 161 Ca -0.04 -2.17 0.33 0.00 -1.02 0.00 0.00 52.86 49.96 2jtc s ASN 161 Cb -0.03 -1.95 1.46 0.00 0.02 0.00 0.00 41.25 40.75 2jtc s ASN 161 CO -0.04 -0.59 1.78 -0.09 0.02 0.00 0.00 177.10 178.18 2jtc h ARG 162 N 8.05 0.08 0.00 -0.60 9.65 -1.36 1.22 114.38 131.42 2jtc h ARG 162 Ca -0.13 -0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.73 2jtc h ARG 162 Cb 1.04 -0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 29.60 2jtc h ARG 162 CO 0.79 0.05 -0.07 0.78 2.80 0.00 0.00 179.97 184.33 2jtc h GLY 163 N 0.08 0.00 -1.71 2.80 0.00 -1.89 -2.23 103.07 100.12 2jtc h GLY 163 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.92 2jtc h GLY 163 CO -0.08 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.68 2jtc n ASP 164 N -3.53 2.84 -4.37 0.19 8.00 0.42 -4.94 116.55 115.15 2jtc n ASP 164 Ca -0.02 -1.85 -0.31 0.00 0.71 0.00 0.00 54.79 53.31 2jtc n ASP 164 Cb 0.19 -0.08 -0.15 0.00 -0.02 0.00 0.00 41.12 41.06 2jtc n ASP 164 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2jtc s PHE 165 N -1.51 2.46 0.32 1.24 0.40 -0.84 -5.03 117.98 115.02 2jtc s PHE 165 Ca 0.27 -0.34 -0.29 0.00 -0.60 0.00 0.00 56.93 55.97 2jtc s PHE 165 Cb 0.17 -1.53 -0.10 0.00 0.51 0.00 0.00 43.02 42.07 2jtc s PHE 165 CO 0.25 0.06 1.28 -1.54 0.70 0.00 0.00 175.22 175.97 2jtc s SER 166 N -0.74 6.84 0.28 1.36 1.04 -1.26 -4.60 113.70 116.63 2jtc s SER 166 Ca 0.11 2.63 0.01 0.00 0.48 0.00 0.00 55.95 59.18 2jtc s SER 166 Cb -0.10 -2.65 0.67 0.00 0.10 0.00 0.00 66.02 64.05 2jtc s SER 166 CO 0.00 -0.48 1.41 1.17 0.98 0.00 0.00 173.24 176.33 2jtc n LYS 167 N 0.86 -0.07 0.30 4.02 4.81 -1.26 0.16 118.16 126.98 2jtc n LYS 167 Ca -0.00 1.36 -0.16 0.00 -0.87 0.00 0.00 58.31 58.64 2jtc n LYS 167 Cb 0.42 -2.15 -0.08 0.00 0.02 0.00 0.00 35.03 33.25 2jtc n LYS 167 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 2jtc h GLN 168 N 0.00 -0.73 0.00 1.64 7.50 -2.00 -0.26 115.11 121.26 2jtc h GLN 168 Ca 0.54 0.05 -0.01 0.00 0.50 0.00 0.00 58.65 59.73 2jtc h GLN 168 Cb 1.10 0.17 -0.00 0.00 0.05 0.00 0.00 27.48 28.79 2jtc h GLN 168 CO -0.85 -0.42 -0.06 -0.44 -1.50 0.00 0.00 178.83 175.55 2jtc h ASP 169 N -0.95 0.00 -0.14 1.46 5.19 -1.05 -2.03 116.42 118.90 2jtc h ASP 169 Ca -0.08 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.20 2jtc h ASP 169 Cb 0.64 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.15 2jtc h ASP 169 CO 0.13 0.06 -0.43 -0.25 -3.12 0.00 0.00 179.24 175.62 2jtc h TRP 170 N 0.00 0.70 0.00 4.55 2.91 0.20 -2.76 115.95 121.56 2jtc h TRP 170 Ca -0.00 -0.28 -0.02 0.00 1.13 0.00 0.00 58.89 59.72 2jtc h TRP 170 Cb 0.22 -0.12 -0.00 0.00 -0.51 0.00 0.00 29.16 28.75 2jtc h TRP 170 CO 0.00 1.04 -0.09 0.93 -1.03 0.00 0.00 178.44 179.29 2jtc h GLU 171 N 0.16 0.00 -0.21 2.65 5.08 -0.35 -1.92 114.58 119.99 2jtc h GLU 171 Ca -0.02 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2jtc h GLU 171 Cb 1.06 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 2jtc h GLU 171 CO 0.09 0.09 0.10 0.00 -1.00 0.00 0.00 179.01 178.29 2jtc h ALA 172 N 1.91 0.25 -0.71 3.43 0.00 -1.14 2.43 119.26 125.42 2jtc h ALA 172 Ca -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2jtc h ALA 172 Cb 0.20 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2jtc h ALA 172 CO 0.01 -0.31 0.41 1.96 0.00 0.00 0.00 179.25 181.32 2jtc h GLN 173 N 0.22 0.97 0.17 0.00 1.08 -1.31 -0.83 115.11 115.41 2jtc h GLN 173 Ca 0.08 -0.10 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 2jtc h GLN 173 Cb 0.02 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 27.26 2jtc h GLN 173 CO -0.06 0.71 -0.08 0.82 -0.95 0.00 0.00 178.83 179.27 2jtc h ILE 174 N 0.97 0.00 -0.46 2.54 2.04 -1.03 -2.89 117.51 118.68 2jtc h ILE 174 Ca 0.25 -0.67 0.09 0.00 1.00 0.00 0.00 64.86 65.54 2jtc h ILE 174 Cb 0.00 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 35.99 2jtc h ILE 174 CO -0.04 0.00 -0.20 -0.78 0.00 0.00 0.00 178.15 177.13 2jtc h ASP 175 N -0.90 -0.69 -0.96 1.72 1.82 0.41 0.60 116.42 118.42 2jtc h ASP 175 Ca -0.02 0.17 0.17 0.00 -0.39 0.00 0.00 57.03 56.95 2jtc h ASP 175 Cb 0.18 0.38 -0.10 0.00 0.68 0.00 0.00 39.33 40.47 2jtc h ASP 175 CO 0.04 -0.23 0.57 0.50 -1.61 0.00 0.00 179.24 178.51 2jtc h LYS 176 N -0.10 0.75 0.39 0.28 3.64 -1.26 0.82 116.57 121.08 2jtc h LYS 176 Ca 0.22 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.54 2jtc h LYS 176 Cb 0.44 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2jtc h LYS 176 CO -0.53 0.50 -0.19 0.93 -2.27 0.00 0.00 179.45 177.89 2jtc h GLU 177 N 0.77 -0.50 0.00 1.90 4.39 0.31 -2.16 114.58 119.29 2jtc h GLU 177 Ca 0.53 0.03 -0.03 0.00 0.34 0.00 0.00 59.36 60.24 2jtc h GLU 177 Cb 0.76 0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.52 2jtc h GLU 177 CO -0.36 -0.31 -0.13 -0.07 -1.16 0.00 0.00 179.01 176.98 2jtc h LEU 178 N -0.56 0.00 -0.68 1.33 3.38 0.73 0.13 115.31 119.64 2jtc h LEU 178 Ca -0.05 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.04 2jtc h LEU 178 Cb 0.42 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.09 2jtc h LEU 178 CO 0.09 0.13 0.25 0.77 0.09 0.00 0.00 178.44 179.77 2jtc h SER 179 N 0.00 0.22 -0.71 -0.43 4.64 0.13 0.54 113.55 117.94 2jtc h SER 179 Ca -0.00 0.10 -0.48 0.00 -0.47 0.00 0.00 61.79 60.94 2jtc h SER 179 Cb 0.39 0.09 -0.21 0.00 -0.31 0.00 0.00 62.40 62.36 2jtc h SER 179 CO 0.02 0.10 0.61 0.00 -0.87 0.00 0.00 176.83 176.69 2jtc n GLN 180 N -5.02 2.18 -4.18 4.77 6.02 -0.97 -4.83 117.38 115.35 2jtc n GLN 180 Ca 0.12 -2.33 -0.31 0.00 -0.01 0.00 0.00 57.00 54.46 2jtc n GLN 180 Cb 0.35 -1.91 -0.06 0.00 1.02 0.00 0.00 30.24 29.63 2jtc n GLN 180 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2jtc n ASN 181 N -0.27 -0.02 -3.95 1.08 4.13 0.19 -4.90 115.26 111.52 2jtc n ASN 181 Ca 0.45 -1.20 -0.31 0.00 1.68 0.00 0.00 54.58 55.20 2jtc n ASN 181 Cb 0.68 -2.04 -0.15 0.00 -1.54 0.00 0.00 39.78 36.73 2jtc n ASN 181 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 2jtc s GLN 182 N -7.13 1.53 1.23 3.52 -0.21 0.43 -4.95 119.66 114.07 2jtc s GLN 182 Ca 0.06 -1.35 -0.17 0.00 0.02 0.00 0.00 55.36 53.92 2jtc s GLN 182 Cb -0.03 -2.74 0.30 0.00 1.00 0.00 0.00 33.01 31.54 2jtc s GLN 182 CO 0.96 -0.77 1.02 -1.25 -2.12 0.00 0.00 175.29 173.14 2jtc s PRO 183 N 1.22 -1.42 0.01 2.91 0.04 -1.26 -2.12 135.00 134.38 2jtc s PRO 183 Ca 0.02 0.43 0.04 0.00 0.04 0.00 0.00 61.00 61.53 2jtc s PRO 183 Cb -0.19 -1.53 -0.01 0.00 0.04 0.00 0.00 34.50 32.81 2jtc s PRO 183 CO -0.10 -3.95 -0.14 0.08 0.04 0.00 0.00 177.00 172.94 2jtc s VAL 184 N -2.57 1.08 -0.25 -0.36 1.01 0.02 -4.47 120.40 114.87 2jtc s VAL 184 Ca 0.68 -0.74 -0.17 0.00 0.00 0.00 0.00 61.98 61.76 2jtc s VAL 184 Cb -0.18 -0.93 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 2jtc s VAL 184 CO 0.60 0.18 0.47 -0.47 0.00 0.00 0.00 175.10 175.89 2jtc s TYR 185 N -0.52 3.29 0.24 5.22 6.14 -0.66 -1.16 117.35 129.89 2jtc s TYR 185 Ca 0.04 0.60 0.10 0.00 0.64 0.00 0.00 57.07 58.45 2jtc s TYR 185 Cb -0.06 -2.66 -0.05 0.00 0.42 0.00 0.00 41.96 39.61 2jtc s TYR 185 CO 0.00 -0.21 -0.18 -0.47 0.64 0.00 0.00 175.55 175.33 2jtc s TYR 186 N 2.05 2.05 -0.20 4.97 6.14 -1.01 0.12 117.35 131.48 2jtc s TYR 186 Ca 0.20 -0.43 -0.07 0.00 0.64 0.00 0.00 57.07 57.41 2jtc s TYR 186 Cb -0.16 -0.92 0.09 0.00 0.42 0.00 0.00 41.96 41.40 2jtc s TYR 186 CO 0.09 0.55 0.43 1.14 0.64 0.00 0.00 175.55 178.41 2jtc s GLN 187 N -3.47 0.33 -0.51 4.97 -2.07 -0.67 -1.53 119.66 116.71 2jtc s GLN 187 Ca 0.26 1.05 -0.21 0.00 -1.82 0.00 0.00 55.36 54.64 2jtc s GLN 187 Cb -0.04 0.35 0.05 0.00 -1.09 0.00 0.00 33.01 32.28 2jtc s GLN 187 CO 0.11 -0.25 0.71 0.20 -1.32 0.00 0.00 175.29 174.74 2jtc s GLY 188 N 2.63 1.67 0.83 2.60 0.00 0.70 -2.80 107.32 112.95 2jtc s GLY 188 Ca -0.02 -1.56 -0.11 0.00 0.00 0.00 0.00 44.72 43.04 2jtc s GLY 188 CO -0.13 1.63 1.10 0.14 0.00 0.00 0.00 173.10 175.84 2jtc s VAL 189 N 2.98 2.89 0.00 1.40 1.01 -0.16 0.16 120.40 128.69 2jtc s VAL 189 Ca 0.20 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.47 2jtc s VAL 189 Cb -0.17 -2.64 0.00 0.00 0.00 0.00 0.00 36.38 33.57 2jtc s VAL 189 CO 0.14 -0.38 0.00 0.61 0.00 0.00 0.00 175.10 175.48 2jtc n GLY 190 N -0.78 1.93 0.08 4.51 0.00 -1.07 -3.59 105.19 106.27 2jtc n GLY 190 Ca 0.09 -0.19 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 2jtc n GLY 190 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2jtc h LYS 191 N 0.00 0.02 0.00 1.61 3.11 -1.82 -3.34 116.57 116.14 2jtc h LYS 191 Ca 0.00 -0.03 -0.05 0.00 -2.81 0.00 0.00 60.65 57.76 2jtc h LYS 191 Cb 0.00 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.23 2jtc h LYS 191 CO 0.00 0.67 -0.55 -0.39 -2.81 0.00 0.00 179.45 176.37 2jtc h VAL 192 N 0.00 0.31 0.00 2.00 -1.51 -1.81 -3.50 116.25 111.74 2jtc h VAL 192 Ca -0.21 -1.48 0.00 0.00 -1.23 0.00 0.00 66.70 63.78 2jtc h VAL 192 Cb 1.95 2.02 0.00 0.00 -2.13 0.00 0.00 31.29 33.13 2jtc h VAL 192 CO 0.10 0.18 0.00 0.61 -1.23 0.00 0.00 177.57 177.22 2jtc n GLY 193 N 1.19 0.89 3.62 5.19 0.00 -1.26 -4.72 105.19 110.11 2jtc n GLY 193 Ca 0.01 -1.96 -0.43 0.00 0.00 0.00 0.00 46.02 43.63 2jtc n GLY 193 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jtc s GLY 194 N 0.00 1.31 -0.35 -0.02 0.00 -1.03 -2.59 107.32 104.64 2jtc s GLY 194 Ca 0.00 -0.15 -0.29 0.00 0.00 0.00 0.00 44.72 44.28 2jtc s GLY 194 CO 0.00 2.54 1.24 -1.58 0.00 0.00 0.00 173.10 175.30 2jtc s HIS 195 N 4.57 2.77 0.32 1.90 2.46 0.12 -4.47 115.29 122.97 2jtc s HIS 195 Ca 0.54 0.89 0.07 0.00 0.47 0.00 0.00 55.06 57.03 2jtc s HIS 195 Cb -0.13 -4.02 -0.03 0.00 -0.13 0.00 0.00 32.58 28.28 2jtc s HIS 195 CO 0.27 -1.45 0.28 0.00 -2.47 0.00 0.00 174.74 171.37 2jtc s ALA 196 N 4.37 3.81 0.00 1.58 0.00 -1.26 0.25 121.76 130.52 2jtc s ALA 196 Ca 0.53 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.88 2jtc s ALA 196 Cb -0.13 -1.20 0.00 0.00 0.00 0.00 0.00 23.12 21.78 2jtc s ALA 196 CO 0.24 0.04 0.00 1.97 0.00 0.00 0.00 175.76 178.01 2jtc n PHE 197 N -1.35 -0.06 -3.89 0.00 1.16 -0.58 -3.44 117.46 109.30 2jtc n PHE 197 Ca -0.03 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.43 2jtc n PHE 197 Cb 0.59 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 38.32 2jtc n PHE 197 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 2jtc s VAL 198 N -2.87 0.04 -0.39 1.97 1.01 -0.91 -2.39 120.40 116.85 2jtc s VAL 198 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 61.98 61.87 2jtc s VAL 198 Cb 0.00 -0.05 0.05 0.00 0.00 0.00 0.00 36.38 36.38 2jtc s VAL 198 CO 0.00 0.02 0.22 -0.63 0.00 0.00 0.00 175.10 174.71 2jtc s ILE 199 N 0.06 4.38 -0.22 2.22 1.01 -0.31 -0.96 121.20 127.38 2jtc s ILE 199 Ca -0.00 -1.09 0.11 0.00 0.00 0.00 0.00 60.65 59.66 2jtc s ILE 199 Cb -0.01 -3.54 0.43 0.00 0.01 0.00 0.00 42.46 39.35 2jtc s ILE 199 CO -0.00 -0.34 1.21 -0.90 0.00 0.00 0.00 174.94 174.91 2jtc n ASP 200 N 4.96 2.43 0.00 3.58 5.75 -0.14 -0.80 116.55 132.33 2jtc n ASP 200 Ca -0.11 -3.79 0.00 0.00 -0.01 0.00 0.00 54.79 50.88 2jtc n ASP 200 Cb 0.45 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 2jtc n ASP 200 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jtc n GLY 201 N -0.97 0.60 3.27 6.12 0.00 -1.20 0.17 105.19 113.19 2jtc n GLY 201 Ca 0.24 -0.78 -0.09 0.00 0.00 0.00 0.00 46.02 45.38 2jtc n GLY 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jtc s ALA 202 N -2.00 0.15 0.00 4.61 0.00 0.62 -1.11 121.76 124.03 2jtc s ALA 202 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 50.99 2jtc s ALA 202 Cb 0.00 0.78 0.00 0.00 0.00 0.00 0.00 23.12 23.90 2jtc s ALA 202 CO 0.00 -0.59 0.27 -3.47 0.00 0.00 0.00 175.76 171.97 2jtc n ASP 203 N -0.16 0.39 0.00 0.00 2.03 0.52 -1.22 116.55 118.10 2jtc n ASP 203 Ca -0.08 -1.07 0.00 0.00 0.52 0.00 0.00 54.79 54.16 2jtc n ASP 203 Cb 0.63 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.03 2jtc n ASP 203 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jtc n GLY 204 N -0.03 2.54 1.78 0.27 0.00 -1.14 -4.80 105.19 103.80 2jtc n GLY 204 Ca 0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 2jtc n GLY 204 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jtc n ARG 205 N 0.00 1.62 -1.34 1.61 1.74 -1.26 -4.72 116.66 114.31 2jtc n ARG 205 Ca 0.00 -1.22 -0.12 0.00 -0.77 0.00 0.00 57.85 55.74 2jtc n ARG 205 Cb 0.00 -1.48 -0.05 0.00 -1.02 0.00 0.00 32.46 29.91 2jtc n ARG 205 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2jtc n ASN 206 N 0.54 -5.48 -4.45 0.55 4.13 -1.26 -4.96 115.26 104.33 2jtc n ASN 206 Ca 0.23 0.29 -0.33 0.00 1.68 0.00 0.00 54.58 56.46 2jtc n ASN 206 Cb 0.59 -4.02 -0.13 0.00 -1.54 0.00 0.00 39.78 34.67 2jtc n ASN 206 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 2jtc s PHE 207 N -2.09 2.70 0.28 3.10 0.08 -1.26 -4.78 117.98 116.01 2jtc s PHE 207 Ca 0.00 -0.26 0.09 0.00 0.12 0.00 0.00 56.93 56.88 2jtc s PHE 207 Cb 0.00 -1.66 -0.05 0.00 -0.57 0.00 0.00 43.02 40.73 2jtc s PHE 207 CO 0.00 0.11 -0.12 0.71 -0.10 0.00 0.00 175.22 175.81 2jtc s TYR 208 N -0.53 2.08 0.02 0.36 1.51 -1.25 -0.36 117.35 119.18 2jtc s TYR 208 Ca 0.07 -0.53 -0.16 0.00 -1.01 0.00 0.00 57.07 55.44 2jtc s TYR 208 Cb -0.12 -1.07 -0.06 0.00 -0.11 0.00 0.00 41.96 40.61 2jtc s TYR 208 CO 0.01 0.48 0.46 -1.58 -1.11 0.00 0.00 175.55 173.81 2jtc s HIS 209 N -2.78 3.74 0.04 2.71 2.46 -0.27 -0.74 115.29 120.46 2jtc s HIS 209 Ca 0.29 1.07 -0.01 0.00 0.47 0.00 0.00 55.06 56.88 2jtc s HIS 209 Cb 0.00 -2.36 -0.03 0.00 -0.13 0.00 0.00 32.58 30.06 2jtc s HIS 209 CO 0.13 0.61 -0.02 0.08 -2.47 0.00 0.00 174.74 173.07 2jtc s VAL 210 N -1.03 0.20 -0.65 0.89 1.01 -0.29 -0.96 120.40 119.57 2jtc s VAL 210 Ca 0.25 -1.61 0.03 0.00 0.00 0.00 0.00 61.98 60.65 2jtc s VAL 210 Cb -0.17 -1.26 0.16 0.00 0.00 0.00 0.00 36.38 35.11 2jtc s VAL 210 CO 0.15 -0.89 0.43 0.21 0.00 0.00 0.00 175.10 175.00 2jtc s ASN 211 N -2.62 4.82 1.15 3.32 3.84 -0.14 -2.93 114.94 122.39 2jtc s ASN 211 Ca 0.02 -3.40 -0.18 0.00 0.21 0.00 0.00 52.86 49.51 2jtc s ASN 211 Cb 0.04 -1.70 0.26 0.00 -0.55 0.00 0.00 41.25 39.31 2jtc s ASN 211 CO -0.08 -0.19 1.12 0.26 -2.79 0.00 0.00 177.10 175.42 2jtc s TRP 212 N -0.83 0.85 -0.38 0.43 0.52 -0.42 -2.15 118.94 116.96 2jtc s TRP 212 Ca 0.21 0.57 0.01 0.00 0.02 0.00 0.00 56.10 56.91 2jtc s TRP 212 Cb -0.15 -3.46 0.41 0.00 -1.15 0.00 0.00 33.47 29.12 2jtc s TRP 212 CO -0.08 -3.63 1.79 0.41 0.02 0.00 0.00 176.95 175.46 2jtc n GLY 213 N -1.17 4.18 0.00 0.98 0.00 -1.22 -4.59 105.19 103.37 2jtc n GLY 213 Ca 0.12 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 45.04 2jtc n GLY 213 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2jtc n TRP 214 N -0.48 -0.20 -0.12 1.61 7.02 -1.26 -4.85 117.44 119.17 2jtc n TRP 214 Ca 0.43 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.69 2jtc n TRP 214 Cb 1.05 0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 29.87 2jtc n TRP 214 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2jtc n GLY 215 N 5.00 -0.46 0.02 6.99 0.00 -1.26 -4.49 105.19 110.99 2jtc n GLY 215 Ca 0.00 -0.20 0.03 0.00 0.00 0.00 0.00 46.02 45.85 2jtc n GLY 215 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jtc n GLY 216 N 1.42 -0.57 0.14 -0.02 0.00 -1.26 -4.42 105.19 100.47 2jtc n GLY 216 Ca -0.38 -0.27 0.01 0.00 0.00 0.00 0.00 46.02 45.38 2jtc n GLY 216 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2jtc h VAL 217 N 0.00 1.25 -0.85 1.61 -1.51 -1.97 -3.30 116.25 111.48 2jtc h VAL 217 Ca -0.10 -2.10 0.19 0.00 -1.23 0.00 0.00 66.70 63.46 2jtc h VAL 217 Cb 0.93 2.19 -0.16 0.00 -2.13 0.00 0.00 31.29 32.12 2jtc h VAL 217 CO 0.01 0.57 -0.09 -1.28 -1.23 0.00 0.00 177.57 175.54 2jtc h SER 218 N 0.00 -0.58 -3.19 4.19 0.87 -1.79 -3.24 113.55 109.82 2jtc h SER 218 Ca -0.01 0.24 -0.74 0.00 -1.23 0.00 0.00 61.79 60.05 2jtc h SER 218 Cb 1.14 0.46 -0.22 0.00 -0.44 0.00 0.00 62.40 63.34 2jtc h SER 218 CO 0.08 -0.26 0.25 -1.81 -0.53 0.00 0.00 176.83 174.56 2jtc s ASP 219 N -5.18 6.54 -0.02 6.23 1.01 -1.24 -1.29 116.67 122.71 2jtc s ASP 219 Ca -0.14 -2.15 -0.24 0.00 0.71 0.00 0.00 52.55 50.73 2jtc s ASP 219 Cb 0.24 -2.28 0.05 0.00 1.01 0.00 0.00 42.92 41.95 2jtc s ASP 219 CO 0.76 -0.85 0.54 -0.83 0.21 0.00 0.00 175.17 175.00 2jtc s GLY 220 N 3.01 -0.42 -0.97 0.21 0.00 -1.15 -5.01 107.32 102.99 2jtc s GLY 220 Ca 0.19 0.88 -0.12 0.00 0.00 0.00 0.00 44.72 45.67 2jtc s GLY 220 CO -0.04 0.57 0.94 -0.11 0.00 0.00 0.00 173.10 174.46 2jtc s PHE 221 N -1.49 4.03 0.27 1.90 -0.12 -1.26 -1.13 117.98 120.17 2jtc s PHE 221 Ca -0.11 -2.35 0.06 0.00 -0.05 0.00 0.00 56.93 54.48 2jtc s PHE 221 Cb -0.02 -3.83 -0.02 0.00 -0.63 0.00 0.00 43.02 38.52 2jtc s PHE 221 CO 0.06 -0.97 0.21 1.19 -0.05 0.00 0.00 175.22 175.66 2jtc n PHE 222 N 3.32 -0.52 -4.03 3.49 3.72 0.08 -4.46 117.46 119.06 2jtc n PHE 222 Ca 0.19 -2.19 -0.26 0.00 -0.05 0.00 0.00 57.45 55.14 2jtc n PHE 222 Cb 0.43 0.20 -0.17 0.00 -0.94 0.00 0.00 39.48 39.00 2jtc n PHE 222 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2jtc s ARG 223 N -3.09 1.51 -0.27 -1.08 1.81 -1.26 -3.79 118.95 112.78 2jtc s ARG 223 Ca 0.29 -0.27 0.08 0.00 -1.72 0.00 0.00 55.73 54.12 2jtc s ARG 223 Cb 0.01 -1.51 0.45 0.00 -0.45 0.00 0.00 34.95 33.45 2jtc s ARG 223 CO 0.21 -0.21 1.21 1.28 -0.68 0.00 0.00 175.30 177.11 2jtc n LEU 224 N 4.72 4.20 -0.00 2.53 7.99 -1.26 -4.69 117.00 130.48 2jtc n LEU 224 Ca -0.15 -4.45 0.09 0.00 -0.01 0.00 0.00 56.01 51.50 2jtc n LEU 224 Cb 0.50 -0.42 0.53 0.00 -0.11 0.00 0.00 43.42 43.93 2jtc n LEU 224 CO 0.18 1.85 0.84 0.47 -1.51 0.00 0.00 177.39 179.23 2jtc n ASP 225 N -0.86 0.01 0.01 -1.43 9.92 -1.26 -4.16 116.55 118.78 2jtc n ASP 225 Ca 0.36 -1.44 -0.01 0.00 -0.53 0.00 0.00 54.79 53.17 2jtc n ASP 225 Cb 0.87 -0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 41.35 2jtc n ASP 225 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jtc n ALA 226 N -0.77 2.34 -2.76 2.24 0.00 -1.26 -4.89 120.51 115.41 2jtc n ALA 226 Ca 0.14 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2jtc n ALA 226 Cb 0.06 0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.60 2jtc n ALA 226 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2jtc n LEU 227 N -3.06 0.00 -5.02 0.00 -0.00 -1.26 -4.59 117.00 103.06 2jtc n LEU 227 Ca -0.02 0.00 -0.20 0.00 -0.00 0.00 0.00 56.01 55.80 2jtc n LEU 227 Cb 0.06 0.00 0.05 0.00 -0.00 0.00 0.00 43.42 43.53 2jtc n LEU 227 CO 0.02 0.00 0.29 0.20 -0.00 0.00 0.00 177.39 177.90 2jtc s ASN 228 N 0.51 5.17 0.00 1.45 -0.87 -1.26 -4.81 114.94 115.12 2jtc s ASN 228 Ca 0.00 -0.80 0.00 0.00 -1.57 0.00 0.00 52.86 50.49 2jtc s ASN 228 Cb 0.00 0.13 0.00 0.00 -0.02 0.00 0.00 41.25 41.36 2jtc s ASN 228 CO 0.00 -1.22 0.00 -0.81 -2.57 0.00 0.00 177.10 172.50 2jtc n PRO 229 N -2.14 1.50 -0.30 -0.60 -0.04 -1.26 -5.00 135.00 127.17 2jtc n PRO 229 Ca 0.13 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.67 2jtc n PRO 229 Cb 0.61 0.00 0.18 0.00 -0.04 0.00 0.00 33.50 34.25 2jtc n PRO 229 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2jtc n SER 230 N 0.00 2.57 -4.31 3.54 2.88 -1.26 -4.98 113.62 112.06 2jtc n SER 230 Ca 0.00 -3.27 -0.33 0.00 -1.33 0.00 0.00 58.87 53.94 2jtc n SER 230 Cb 0.00 -0.49 -0.15 0.00 -0.75 0.00 0.00 64.21 62.82 2jtc n SER 230 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jtc s ALA 231 N -2.96 2.60 -0.09 -1.46 0.00 -1.26 -4.97 121.76 113.61 2jtc s ALA 231 Ca 0.36 -1.01 0.14 0.00 0.00 0.00 0.00 51.96 51.45 2jtc s ALA 231 Cb 0.32 -1.30 0.21 0.00 0.00 0.00 0.00 23.12 22.35 2jtc s ALA 231 CO 0.02 0.01 1.10 1.28 0.00 0.00 0.00 175.76 178.17 2jtc n LEU 232 N 3.98 2.00 0.00 0.00 4.77 -1.26 -4.98 117.00 121.51 2jtc n LEU 232 Ca -0.19 -2.64 0.11 0.00 -0.03 0.00 0.00 56.01 53.27 2jtc n LEU 232 Cb 0.52 -0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 2jtc n LEU 232 CO 0.29 0.61 -0.15 0.61 -1.33 0.00 0.00 177.39 177.43 2jtc n GLY 233 N -1.11 -1.40 0.00 -0.72 0.00 -1.26 -4.29 105.19 96.41 2jtc n GLY 233 Ca 0.11 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.13 2jtc n GLY 233 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2jtc n THR 234 N -3.17 0.00 -0.68 2.61 -1.04 -1.26 -4.58 114.28 106.17 2jtc n THR 234 Ca 0.01 0.21 -0.18 0.00 -2.04 0.00 0.00 64.05 62.04 2jtc n THR 234 Cb 0.38 -1.07 0.12 0.00 -1.82 0.00 0.00 70.33 67.94 2jtc n THR 234 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2jtc n GLY 235 N 2.13 3.95 0.00 3.41 0.00 -1.26 -4.89 105.19 108.53 2jtc n GLY 235 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.12 2jtc n GLY 235 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jtc n GLY 236 N -0.64 -2.44 0.00 -0.02 0.00 -1.26 -5.08 105.19 95.75 2jtc n GLY 236 Ca 0.44 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.52 2jtc n GLY 236 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jtc n GLY 237 N 1.33 1.49 2.95 -0.02 0.00 -1.26 -5.12 105.19 104.56 2jtc n GLY 237 Ca 0.00 -0.21 -0.21 0.00 0.00 0.00 0.00 46.02 45.60 2jtc n GLY 237 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jtc s ALA 238 N -2.00 0.89 0.00 4.61 0.00 -1.26 -5.07 121.76 118.93 2jtc s ALA 238 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 51.75 2jtc s ALA 238 Cb 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.67 2jtc s ALA 238 CO 0.00 0.06 0.75 0.41 0.00 0.00 0.00 175.76 176.98 2jtc n GLY 239 N 3.83 -2.98 0.00 0.00 0.00 -1.26 -4.59 105.19 100.18 2jtc n GLY 239 Ca -0.24 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2jtc n GLY 239 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jtc n GLY 240 N -0.85 2.96 2.17 -0.02 0.00 -1.26 -4.38 105.19 103.81 2jtc n GLY 240 Ca 0.00 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 45.24 2jtc n GLY 240 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2jtc n PHE 241 N 0.00 -2.32 -3.39 1.61 -1.74 -1.26 -4.58 117.46 105.78 2jtc n PHE 241 Ca 0.00 -0.15 -0.41 0.00 -0.56 0.00 0.00 57.45 56.34 2jtc n PHE 241 Cb 0.00 -0.94 -0.02 0.00 1.52 0.00 0.00 39.48 40.03 2jtc n PHE 241 CO 0.00 0.00 0.00 -1.71 -0.56 0.00 0.00 176.76 174.49 2jtc n ASN 242 N -2.09 5.14 0.08 5.98 4.05 -1.26 -3.72 115.26 123.45 2jtc n ASN 242 Ca 0.06 -3.16 -0.10 0.00 0.45 0.00 0.00 54.58 51.83 2jtc n ASN 242 Cb 0.26 -1.21 -0.07 0.00 1.23 0.00 0.00 39.78 39.99 2jtc n ASN 242 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 177.26 175.44 2jtc h GLY 243 N 6.06 -0.29 -2.86 8.20 0.00 -1.89 -3.47 103.07 108.82 2jtc h GLY 243 Ca 0.18 0.11 -0.26 0.00 0.00 0.00 0.00 47.33 47.36 2jtc h GLY 243 CO 1.01 -0.11 -0.68 -0.19 0.00 0.00 0.00 176.54 176.58 2jtc s TYR 244 N -3.30 1.06 0.05 5.60 2.02 -1.26 -5.00 117.35 116.51 2jtc s TYR 244 Ca -0.11 -0.97 -0.13 0.00 -0.37 0.00 0.00 57.07 55.49 2jtc s TYR 244 Cb 0.00 -0.60 0.02 0.00 -0.40 0.00 0.00 41.96 40.98 2jtc s TYR 244 CO 0.41 -0.19 0.29 1.14 -1.57 0.00 0.00 175.55 175.62 2jtc s GLN 245 N -3.88 0.82 -0.15 -0.62 -2.07 -1.26 -0.99 119.66 111.52 2jtc s GLN 245 Ca 0.18 -0.59 -0.30 0.00 -1.82 0.00 0.00 55.36 52.83 2jtc s GLN 245 Cb 0.06 0.35 0.12 0.00 -1.09 0.00 0.00 33.01 32.45 2jtc s GLN 245 CO -0.00 -0.27 0.95 -1.54 -1.32 0.00 0.00 175.29 173.11 2jtc s SER 246 N -2.22 -0.41 0.29 12.60 1.04 -1.12 -0.94 113.70 122.94 2jtc s SER 246 Ca -0.03 0.45 0.03 0.00 0.48 0.00 0.00 55.95 56.88 2jtc s SER 246 Cb 0.00 0.34 -0.06 0.00 0.10 0.00 0.00 66.02 66.40 2jtc s SER 246 CO -0.05 -0.38 0.05 0.00 0.98 0.00 0.00 173.24 173.85 2jtc s ALA 247 N -1.10 2.13 -0.19 5.32 0.00 0.66 -1.66 121.76 126.91 2jtc s ALA 247 Ca -0.03 -1.97 -0.00 0.00 0.00 0.00 0.00 51.96 49.96 2jtc s ALA 247 Cb -0.00 0.71 0.01 0.00 0.00 0.00 0.00 23.12 23.84 2jtc s ALA 247 CO 0.03 -0.33 -0.16 0.08 0.00 0.00 0.00 175.76 175.38 2jtc s VAL 248 N -3.42 2.39 0.13 0.00 1.01 0.33 0.57 120.40 121.43 2jtc s VAL 248 Ca 0.35 -0.83 0.11 0.00 0.00 0.00 0.00 61.98 61.61 2jtc s VAL 248 Cb 0.08 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 2jtc s VAL 248 CO 0.14 0.50 -0.25 0.68 0.00 0.00 0.00 175.10 176.18 2jtc s VAL 249 N 1.34 2.40 0.00 2.92 -7.23 -0.84 -1.65 120.40 117.33 2jtc s VAL 249 Ca 0.05 -1.72 0.00 0.00 -1.81 0.00 0.00 61.98 58.50 2jtc s VAL 249 Cb -0.13 -2.07 0.00 0.00 0.56 0.00 0.00 36.38 34.73 2jtc s VAL 249 CO -0.10 0.08 0.00 0.61 -0.31 0.00 0.00 175.10 175.38 2jtc n GLY 250 N 0.85 0.83 3.56 2.32 0.00 -1.26 -3.18 105.19 108.30 2jtc n GLY 250 Ca -0.17 -0.62 -0.40 0.00 0.00 0.00 0.00 46.02 44.82 2jtc n GLY 250 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jtc s ILE 251 N -2.24 3.88 -0.05 -0.61 1.01 -1.26 -3.43 121.20 118.49 2jtc s ILE 251 Ca 0.00 -0.70 -0.30 0.00 0.00 0.00 0.00 60.65 59.65 2jtc s ILE 251 Cb 0.00 -4.97 0.09 0.00 0.01 0.00 0.00 42.46 37.58 2jtc s ILE 251 CO 0.00 -1.86 0.77 -1.59 0.00 0.00 0.00 174.94 172.26 2jtc s LYS 252 N 5.16 0.95 0.00 2.79 -2.85 -1.26 -4.92 119.74 119.61 2jtc s LYS 252 Ca 0.48 0.10 0.26 0.00 -1.00 0.00 0.00 55.97 55.80 2jtc s LYS 252 Cb -0.01 0.45 1.56 0.00 -2.06 0.00 0.00 37.83 37.77 2jtc s LYS 252 CO -0.09 -0.32 1.92 -0.35 0.10 0.00 0.00 175.35 176.61