#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jtc s PRO 2 N 0.00 0.03 -0.04 3.69 0.04 -1.26 -3.93 135.00 133.54 2jtc s PRO 2 Ca 0.00 -0.41 -0.00 0.00 0.04 0.00 0.00 61.00 60.63 2jtc s PRO 2 Cb 0.00 -1.77 -0.04 0.00 0.04 0.00 0.00 34.50 32.73 2jtc s PRO 2 CO 0.00 -2.82 0.01 0.08 0.04 0.00 0.00 177.00 174.31 2jtc s VAL 3 N -3.73 4.29 -0.03 -0.36 1.01 -1.26 -0.55 120.40 119.76 2jtc s VAL 3 Ca 0.75 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 62.30 2jtc s VAL 3 Cb -0.04 -2.87 0.02 0.00 0.00 0.00 0.00 36.38 33.49 2jtc s VAL 3 CO 0.54 0.46 -0.02 -0.69 0.00 0.00 0.00 175.10 175.39 2jtc s VAL 4 N -1.02 0.33 0.94 2.92 1.01 0.71 -4.85 120.40 120.45 2jtc s VAL 4 Ca 0.17 -0.03 -0.14 0.00 0.00 0.00 0.00 61.98 61.99 2jtc s VAL 4 Cb -0.11 -0.38 0.16 0.00 0.00 0.00 0.00 36.38 36.04 2jtc s VAL 4 CO 0.08 0.17 1.19 -0.54 0.00 0.00 0.00 175.10 175.99 2jtc s LYS 5 N 0.83 0.90 -0.62 2.72 -0.14 -1.26 -0.09 119.74 122.07 2jtc s LYS 5 Ca -0.09 0.03 -0.28 0.00 -1.36 0.00 0.00 55.97 54.27 2jtc s LYS 5 Cb -0.13 -1.83 0.02 0.00 -1.68 0.00 0.00 37.83 34.21 2jtc s LYS 5 CO -0.01 -2.31 1.37 0.45 -0.76 0.00 0.00 175.35 174.09 2jtc s SER 6 N -4.34 6.12 0.10 2.83 0.15 -1.24 -3.70 113.70 113.63 2jtc s SER 6 Ca 0.67 0.04 -0.23 0.00 0.70 0.00 0.00 55.95 57.13 2jtc s SER 6 Cb -0.11 -2.55 -0.11 0.00 -1.71 0.00 0.00 66.02 61.54 2jtc s SER 6 CO 0.53 -1.76 1.72 -0.07 1.20 0.00 0.00 173.24 174.85 2jtc h LEU 7 N 13.15 -0.14 -1.30 3.45 3.38 -0.38 0.40 115.31 133.88 2jtc h LEU 7 Ca -0.27 0.02 0.11 0.00 0.09 0.00 0.00 57.88 57.84 2jtc h LEU 7 Cb 1.08 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.83 2jtc h LEU 7 CO 1.21 -0.07 0.55 -0.07 0.09 0.00 0.00 178.44 180.15 2jtc h LEU 8 N -0.08 0.68 -0.46 1.67 3.38 -1.90 -0.39 115.31 118.22 2jtc h LEU 8 Ca 0.02 0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 2jtc h LEU 8 Cb 0.11 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2jtc h LEU 8 CO -0.06 0.39 -0.12 -0.78 0.09 0.00 0.00 178.44 177.96 2jtc h ASP 9 N 0.75 0.90 0.00 -0.43 3.58 -1.58 0.25 116.42 119.89 2jtc h ASP 9 Ca 0.40 -0.37 0.00 0.00 0.42 0.00 0.00 57.03 57.49 2jtc h ASP 9 Cb 0.53 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.34 2jtc h ASP 9 CO -0.17 1.06 0.07 -1.54 -2.88 0.00 0.00 179.24 175.77 2jtc n SER 10 N -4.24 0.49 -0.07 2.28 3.41 0.03 -0.08 113.62 115.45 2jtc n SER 10 Ca -0.00 0.71 0.06 0.00 -0.26 0.00 0.00 58.87 59.37 2jtc n SER 10 Cb 0.39 -0.75 0.08 0.00 -0.26 0.00 0.00 64.21 63.67 2jtc n SER 10 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2jtc n LYS 11 N -2.18 1.76 -4.31 4.33 5.02 -0.74 -4.97 118.16 117.06 2jtc n LYS 11 Ca -0.01 -2.09 -0.37 0.00 -2.02 0.00 0.00 58.31 53.82 2jtc n LYS 11 Cb 0.10 -1.26 -0.05 0.00 -0.02 0.00 0.00 35.03 33.80 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 -1.02 -0.36 3.55 0.72 0.00 0.88 -4.77 105.19 104.20 2jtc n GLY 12 Ca 0.09 0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.49 4.65 -0.32 -0.61 1.01 0.76 -3.19 121.20 120.01 2jtc s ILE 13 Ca 0.60 0.54 -0.01 0.00 0.00 0.00 0.00 60.65 61.77 2jtc s ILE 13 Cb -0.34 -4.31 0.11 0.00 0.01 0.00 0.00 42.46 37.93 2jtc s ILE 13 CO 0.97 -0.68 0.13 -1.00 0.00 0.00 0.00 174.94 174.37 2jtc s HIS 14 N 3.29 1.26 0.56 3.97 3.76 0.63 -4.73 115.29 124.04 2jtc s HIS 14 Ca 0.31 -1.58 0.08 0.00 -0.15 0.00 0.00 55.06 53.72 2jtc s HIS 14 Cb -0.12 -1.43 0.07 0.00 1.11 0.00 0.00 32.58 32.20 2jtc s HIS 14 CO 0.22 -0.85 0.63 0.71 -0.85 0.00 0.00 174.74 174.60 2jtc s TYR 15 N 1.54 1.51 0.00 1.40 2.02 -1.25 -3.38 117.35 119.18 2jtc s TYR 15 Ca 0.11 -0.77 0.00 0.00 -0.37 0.00 0.00 57.07 56.05 2jtc s TYR 15 Cb -0.18 -2.09 0.00 0.00 -0.40 0.00 0.00 41.96 39.29 2jtc s TYR 15 CO -0.22 -0.87 0.00 -1.71 -1.57 0.00 0.00 175.55 171.17 2jtc n ASN 16 N -2.04 0.00 0.00 2.29 2.85 -1.26 -3.61 115.26 113.48 2jtc n ASN 16 Ca 0.09 -0.54 0.00 0.00 -0.11 0.00 0.00 54.58 54.01 2jtc n ASN 16 Cb 0.63 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.65 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 2.74 -0.03 1.20 6.02 -1.26 -4.71 117.38 121.35 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 -0.72 -0.03 0.00 1.02 0.00 0.00 30.24 30.52 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 1.54 -0.11 0.00 1.08 0.00 -1.26 -1.32 105.19 105.12 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 -2.52 0.00 0.00 1.61 4.05 -1.26 -3.51 115.26 113.63 2jtc n ASN 19 Ca -0.09 0.00 0.08 0.00 0.45 0.00 0.00 54.58 55.02 2jtc n ASN 19 Cb 0.61 0.00 0.45 0.00 1.23 0.00 0.00 39.78 42.08 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 0.72 0.08 1.20 -0.04 -1.26 -2.72 135.00 132.98 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 -1.33 -0.06 0.00 -0.04 0.00 0.00 33.50 32.07 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 0.24 -0.45 0.54 -1.99 -1.87 -3.15 116.97 110.30 2jtc h TYR 21 Ca 0.00 -0.15 0.00 0.00 2.00 0.00 0.00 58.73 60.58 2jtc h TYR 21 Cb 0.00 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 38.71 2jtc h TYR 21 CO 0.00 1.03 0.00 0.27 -0.00 0.00 0.00 178.16 179.46 2jtc n ASN 22 N -3.55 4.12 0.00 3.88 6.94 -1.10 -4.26 115.26 121.28 2jtc n ASN 22 Ca -0.03 -2.53 0.06 0.00 -0.02 0.00 0.00 54.58 52.05 2jtc n ASN 22 Cb 0.88 -0.58 0.34 0.00 -2.36 0.00 0.00 39.78 38.07 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 0.59 0.00 0.00 -4.53 4.77 -1.19 -3.08 117.00 113.56 2jtc n LEU 23 Ca 0.20 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 2jtc n LEU 23 Cb 0.84 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.93 2jtc n LEU 23 CO 0.21 0.00 0.07 0.18 -1.33 0.00 0.00 177.39 176.52 2jtc n LEU 24 N -0.76 0.03 -4.63 2.23 4.77 -1.26 -4.98 117.00 112.41 2jtc n LEU 24 Ca 0.09 -0.03 -0.30 0.00 -0.03 0.00 0.00 56.01 55.74 2jtc n LEU 24 Cb 0.04 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.31 2jtc n LEU 24 CO 0.07 0.01 0.62 0.42 -1.33 0.00 0.00 177.39 177.18 2jtc s THR 25 N -0.01 2.26 0.25 -5.08 -4.23 -1.18 -4.84 115.64 102.82 2jtc s THR 25 Ca 0.00 0.08 -0.30 0.00 -1.18 0.00 0.00 61.69 60.30 2jtc s THR 25 Cb 0.00 -2.25 -0.09 0.00 1.34 0.00 0.00 72.50 71.49 2jtc s THR 25 CO 0.00 -0.11 1.26 -2.16 -0.54 0.00 0.00 174.62 173.07 2jtc s PRO 26 N -4.67 4.44 0.41 3.99 0.04 -1.26 -4.57 135.00 133.38 2jtc s PRO 26 Ca 0.66 2.03 -0.24 0.00 0.04 0.00 0.00 61.00 63.50 2jtc s PRO 26 Cb -0.22 -3.16 -0.08 0.00 0.04 0.00 0.00 34.50 31.07 2jtc s PRO 26 CO 0.60 -0.13 1.10 0.08 0.04 0.00 0.00 177.00 178.70 2jtc s VAL 27 N -0.51 3.45 0.49 -0.36 1.01 -1.26 -2.90 120.40 120.31 2jtc s VAL 27 Ca 0.52 1.13 -0.19 0.00 0.00 0.00 0.00 61.98 63.44 2jtc s VAL 27 Cb -0.36 -3.59 -0.09 0.00 0.00 0.00 0.00 36.38 32.34 2jtc s VAL 27 CO 0.43 0.03 1.00 -0.63 0.00 0.00 0.00 175.10 175.93 2jtc s ILE 28 N -1.57 4.12 0.00 2.22 1.01 -1.04 -4.88 121.20 121.06 2jtc s ILE 28 Ca 0.59 1.23 0.00 0.00 0.00 0.00 0.00 60.65 62.46 2jtc s ILE 28 Cb -0.26 -3.54 0.00 0.00 0.01 0.00 0.00 42.46 38.68 2jtc s ILE 28 CO 0.32 -0.38 0.00 -0.62 0.00 0.00 0.00 174.94 174.26 2jtc n GLU 29 N -1.09 2.31 -4.52 2.79 1.02 -1.12 -2.07 120.64 117.96 2jtc n GLU 29 Ca 0.08 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.91 2jtc n GLU 29 Cb 0.53 -0.88 -0.06 0.00 -0.02 0.00 0.00 31.44 31.01 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 -1.65 2.19 0.06 3.49 1.02 0.73 -4.77 119.74 120.81 2jtc s LYS 30 Ca 0.00 -2.26 0.07 0.00 0.02 0.00 0.00 55.97 53.80 2jtc s LYS 30 Cb 0.00 -1.69 -0.04 0.00 -0.52 0.00 0.00 37.83 35.58 2jtc s LYS 30 CO 0.00 -0.38 -0.14 0.08 -0.92 0.00 0.00 175.35 174.00 2jtc s VAL 31 N -2.82 3.11 -0.07 3.17 1.01 -1.26 -4.19 120.40 119.35 2jtc s VAL 31 Ca 0.16 -1.17 -0.24 0.00 0.00 0.00 0.00 61.98 60.74 2jtc s VAL 31 Cb 0.02 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 2jtc s VAL 31 CO 0.09 0.26 0.71 -0.75 0.00 0.00 0.00 175.10 175.41 2jtc s LYS 32 N -1.72 4.43 0.00 2.72 2.20 -1.09 -4.71 119.74 121.57 2jtc s LYS 32 Ca 0.17 0.89 -0.30 0.00 -0.36 0.00 0.00 55.97 56.37 2jtc s LYS 32 Cb -0.11 -3.45 -0.06 0.00 -1.51 0.00 0.00 37.83 32.70 2jtc s LYS 32 CO 0.08 0.04 1.48 -1.25 -0.36 0.00 0.00 175.35 175.35 2jtc s PRO 33 N 0.87 4.25 0.00 4.03 0.04 -1.26 -2.40 135.00 140.53 2jtc s PRO 33 Ca 0.38 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.48 2jtc s PRO 33 Cb -0.18 -3.63 0.00 0.00 0.04 0.00 0.00 34.50 30.73 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 3.78 1.15 3.50 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 -0.61 1.37 0.73 1.61 2.12 -1.01 -5.16 118.70 117.75 2jtc s GLU 35 Ca 0.00 -1.07 -0.12 0.00 0.36 0.00 0.00 54.97 54.14 2jtc s GLU 35 Cb 0.00 0.47 0.18 0.00 0.26 0.00 0.00 34.13 35.04 2jtc s GLU 35 CO 0.00 -0.56 0.54 1.04 -0.54 0.00 0.00 175.26 175.74 2jtc n GLN 36 N -0.32 -2.78 -3.17 4.30 6.02 -1.26 -4.70 117.38 115.46 2jtc n GLN 36 Ca -0.07 -0.88 -0.39 0.00 -0.01 0.00 0.00 57.00 55.65 2jtc n GLN 36 Cb 0.62 -0.95 -0.06 0.00 1.02 0.00 0.00 30.24 30.87 2jtc n GLN 36 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2jtc s SER 37 N -2.89 7.15 -0.02 1.08 0.15 -1.26 -4.40 113.70 113.51 2jtc s SER 37 Ca 0.38 1.36 0.10 0.00 0.70 0.00 0.00 55.95 58.49 2jtc s SER 37 Cb -0.05 -2.40 0.30 0.00 -1.71 0.00 0.00 66.02 62.15 2jtc s SER 37 CO 0.30 0.22 1.24 0.49 1.20 0.00 0.00 173.24 176.69 2jtc n PHE 38 N 1.91 0.46 -1.72 3.44 3.72 -1.26 -4.95 117.46 119.06 2jtc n PHE 38 Ca -0.08 -0.54 -0.42 0.00 -0.05 0.00 0.00 57.45 56.36 2jtc n PHE 38 Cb 0.50 -0.06 -0.03 0.00 -0.94 0.00 0.00 39.48 38.96 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 -1.18 3.10 0.00 -4.37 1.01 -1.26 0.56 120.40 118.26 2jtc s VAL 39 Ca 0.23 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.33 2jtc s VAL 39 Cb 0.13 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.43 2jtc s VAL 39 CO 0.13 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.83 2jtc n GLY 40 N 4.58 0.54 3.73 4.51 0.00 -0.88 -4.96 105.19 112.71 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 -0.90 4.59 -0.32 1.61 -0.21 0.19 -4.80 119.66 119.82 2jtc s GLN 41 Ca 0.00 1.65 -0.29 0.00 0.02 0.00 0.00 55.36 56.75 2jtc s GLN 41 Cb 0.00 -3.32 -0.00 0.00 1.00 0.00 0.00 33.01 30.69 2jtc s GLN 41 CO 0.00 0.05 1.47 -1.01 -2.12 0.00 0.00 175.29 173.68 2jtc s HIS 42 N 0.07 2.35 1.02 0.91 3.76 -1.26 -2.49 115.29 119.65 2jtc s HIS 42 Ca 0.50 0.70 -0.15 0.00 -0.15 0.00 0.00 55.06 55.96 2jtc s HIS 42 Cb -0.28 -4.09 0.07 0.00 1.11 0.00 0.00 32.58 29.40 2jtc s HIS 42 CO 0.33 -2.24 0.31 0.00 -0.85 0.00 0.00 174.74 172.29 2jtc n ALA 43 N 8.53 -3.11 -1.94 -1.40 0.00 -1.14 -4.66 120.51 116.79 2jtc n ALA 43 Ca 0.17 -0.87 -0.24 0.00 0.00 0.00 0.00 53.44 52.50 2jtc n ALA 43 Cb 0.47 -1.72 0.06 0.00 0.00 0.00 0.00 19.45 18.26 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 -2.35 3.36 0.02 0.00 0.00 0.45 -4.60 121.76 118.65 2jtc s ALA 44 Ca 0.57 -1.05 -0.06 0.00 0.00 0.00 0.00 51.96 51.42 2jtc s ALA 44 Cb -0.18 -2.45 -0.29 0.00 0.00 0.00 0.00 23.12 20.19 2jtc s ALA 44 CO 0.67 -1.17 0.93 1.79 0.00 0.00 0.00 175.76 177.98 2jtc h THR 45 N -0.43 1.23 0.00 0.00 1.35 -1.51 -3.43 112.91 110.13 2jtc h THR 45 Ca -0.44 -2.82 0.00 0.00 -0.55 0.00 0.00 66.41 62.60 2jtc h THR 45 Cb 1.31 2.85 0.00 0.00 -1.73 0.00 0.00 68.15 70.58 2jtc h THR 45 CO 0.58 0.84 0.00 0.61 -0.25 0.00 0.00 175.52 177.30 2jtc n GLY 46 N 1.66 2.22 0.14 5.82 0.00 -1.26 -4.31 105.19 109.47 2jtc n GLY 46 Ca -0.15 -1.50 -0.08 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.30 -0.52 1.61 4.64 -1.90 0.40 113.55 117.47 2jtc h SER 47 Ca 0.00 0.08 0.09 0.00 -0.47 0.00 0.00 61.79 61.49 2jtc h SER 47 Cb 0.00 0.18 -0.10 0.00 -0.31 0.00 0.00 62.40 62.17 2jtc h SER 47 CO 0.00 -0.11 -0.36 0.58 -0.87 0.00 0.00 176.83 176.07 2jtc h VAL 48 N -0.04 0.17 0.09 0.95 2.07 -1.83 2.29 116.25 119.94 2jtc h VAL 48 Ca 0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.64 2jtc h VAL 48 Cb 0.23 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 2jtc h VAL 48 CO -0.27 0.00 -0.07 0.00 0.02 0.00 0.00 177.57 177.25 2jtc h ALA 49 N 0.81 -0.15 -0.37 1.67 0.00 -1.40 -0.84 119.26 118.98 2jtc h ALA 49 Ca 0.20 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2jtc h ALA 49 Cb 0.55 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2jtc h ALA 49 CO -0.63 -0.59 0.08 1.15 0.00 0.00 0.00 179.25 179.25 2jtc h THR 50 N -0.17 1.18 -0.55 0.00 2.02 0.17 0.69 112.91 116.25 2jtc h THR 50 Ca 0.00 -0.63 -0.12 0.00 0.77 0.00 0.00 66.41 66.43 2jtc h THR 50 Cb 0.16 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 2jtc h THR 50 CO -0.01 0.23 -0.11 0.00 0.37 0.00 0.00 175.52 175.99 2jtc h ALA 51 N 1.56 0.76 0.06 6.16 0.00 0.43 -2.08 119.26 126.13 2jtc h ALA 51 Ca 0.12 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 2jtc h ALA 51 Cb 0.22 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2jtc h ALA 51 CO -0.00 0.68 -0.03 1.15 0.00 0.00 0.00 179.25 181.05 2jtc h THR 52 N 0.92 1.26 -0.99 0.00 2.02 -0.43 -3.12 112.91 112.57 2jtc h THR 52 Ca 0.14 -1.50 0.18 0.00 0.77 0.00 0.00 66.41 66.00 2jtc h THR 52 Cb 0.69 2.17 -0.10 0.00 -1.74 0.00 0.00 68.15 69.17 2jtc h THR 52 CO 0.05 0.35 0.62 0.00 0.37 0.00 0.00 175.52 176.91 2jtc h ALA 53 N -0.00 1.71 0.29 6.16 0.00 0.36 0.98 119.26 128.74 2jtc h ALA 53 Ca -0.01 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2jtc h ALA 53 Cb 0.63 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2jtc h ALA 53 CO 0.01 -0.04 -0.16 1.96 0.00 0.00 0.00 179.25 181.02 2jtc h GLN 54 N 0.77 -0.40 0.00 0.00 4.20 -1.43 0.57 115.11 118.83 2jtc h GLN 54 Ca 0.55 0.03 -0.03 0.00 0.06 0.00 0.00 58.65 59.25 2jtc h GLN 54 Cb 0.84 0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.71 2jtc h GLN 54 CO -0.33 -0.27 -0.16 0.82 -0.67 0.00 0.00 178.83 178.23 2jtc h ILE 55 N -0.42 1.08 -0.45 2.54 2.04 -0.98 0.43 117.51 121.75 2jtc h ILE 55 Ca -0.03 -0.54 -0.07 0.00 1.00 0.00 0.00 64.86 65.21 2jtc h ILE 55 Cb 0.33 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 2jtc h ILE 55 CO 0.05 0.15 -0.00 0.24 0.00 0.00 0.00 178.15 178.59 2jtc h MET 56 N 0.00 0.80 -0.50 2.37 2.86 0.22 -2.45 114.93 118.24 2jtc h MET 56 Ca -0.00 -0.26 -0.12 0.00 -2.06 0.00 0.00 59.70 57.26 2jtc h MET 56 Cb 0.28 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 2jtc h MET 56 CO 0.02 0.86 -0.15 -0.22 1.06 0.00 0.00 176.91 178.48 2jtc h LYS 57 N 0.65 0.98 -0.72 1.72 1.63 0.16 0.77 116.57 121.75 2jtc h LYS 57 Ca 0.13 -0.38 0.17 0.00 -0.85 0.00 0.00 60.65 59.72 2jtc h LYS 57 Cb 0.50 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 32.04 2jtc h LYS 57 CO 0.02 1.05 0.50 -0.92 -3.45 0.00 0.00 179.45 176.65 2jtc h TYR 58 N 0.86 0.28 0.00 1.91 5.03 0.25 -2.20 116.97 123.10 2jtc h TYR 58 Ca 0.13 0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.41 2jtc h TYR 58 Cb 0.72 -0.09 -0.01 0.00 1.55 0.00 0.00 36.73 38.90 2jtc h TYR 58 CO 0.05 0.10 -1.68 0.72 -1.32 0.00 0.00 178.16 176.02 2jtc n HIS 59 N -4.43 0.00 -4.05 -3.82 8.25 -0.99 -4.99 115.22 105.19 2jtc n HIS 59 Ca 0.14 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.28 2jtc n HIS 59 Cb 0.63 -0.37 -0.03 0.00 1.12 0.00 0.00 29.99 31.35 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 -2.06 -1.38 0.00 0.41 3.02 0.26 -4.89 115.26 110.63 2jtc n ASN 60 Ca -0.05 -1.15 0.00 0.00 -0.03 0.00 0.00 54.58 53.35 2jtc n ASN 60 Cb 0.44 -2.37 0.00 0.00 -0.61 0.00 0.00 39.78 37.24 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 -4.56 0.00 -2.17 3.10 9.36 -1.25 -4.66 117.16 116.97 2jtc n TYR 61 Ca -0.25 0.00 -0.41 0.00 3.32 0.00 0.00 57.90 60.56 2jtc n TYR 61 Cb 0.65 -0.17 -0.03 0.00 -0.63 0.00 0.00 39.34 39.17 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 -0.73 3.12 0.52 2.98 0.04 -1.26 -4.78 135.00 134.88 2jtc s PRO 62 Ca 0.00 0.80 0.31 0.00 0.04 0.00 0.00 61.00 62.15 2jtc s PRO 62 Cb 0.00 -4.22 1.27 0.00 0.04 0.00 0.00 34.50 31.59 2jtc s PRO 62 CO 0.00 -2.14 1.96 -0.91 0.04 0.00 0.00 177.00 175.94 2jtc h ASN 63 N 12.76 0.00 -4.16 6.66 2.35 -1.83 -3.40 115.58 127.97 2jtc h ASN 63 Ca -0.28 0.00 -0.41 0.00 -0.55 0.00 0.00 56.30 55.06 2jtc h ASN 63 Cb 1.14 0.00 -0.28 0.00 0.05 0.00 0.00 38.32 39.23 2jtc h ASN 63 CO 1.14 0.07 -0.78 -0.75 -1.65 0.00 0.00 177.43 175.47 2jtc s LYS 64 N -3.72 0.82 0.58 0.81 2.20 -1.26 0.24 119.74 119.41 2jtc s LYS 64 Ca 0.00 -0.46 -0.20 0.00 -0.36 0.00 0.00 55.97 54.95 2jtc s LYS 64 Cb 0.10 -0.79 -0.05 0.00 -1.51 0.00 0.00 37.83 35.58 2jtc s LYS 64 CO 0.57 0.21 1.17 0.41 -0.36 0.00 0.00 175.35 177.35 2jtc n GLY 65 N 2.57 0.23 0.09 5.54 0.00 -0.92 -4.86 105.19 107.83 2jtc n GLY 65 Ca -0.15 -0.06 -0.17 0.00 0.00 0.00 0.00 46.02 45.64 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 0.91 0.09 -7.31 0.99 6.46 -1.63 -3.37 115.31 111.46 2jtc h LEU 66 Ca -0.49 -0.88 -0.12 0.00 -0.12 0.00 0.00 57.88 56.27 2jtc h LEU 66 Cb 1.34 -0.03 -0.24 0.00 -0.73 0.00 0.00 40.66 41.00 2jtc h LEU 66 CO 0.54 1.21 -0.23 -0.75 -0.62 0.00 0.00 178.44 178.59 2jtc s LYS 67 N -2.30 0.49 1.27 1.25 2.20 -1.14 -4.50 119.74 117.01 2jtc s LYS 67 Ca -0.20 0.57 -0.16 0.00 -0.36 0.00 0.00 55.97 55.82 2jtc s LYS 67 Cb -0.00 0.24 0.32 0.00 -1.51 0.00 0.00 37.83 36.87 2jtc s LYS 67 CO 0.69 -0.06 0.91 -0.25 -0.36 0.00 0.00 175.35 176.28 2jtc n ASP 68 N 2.84 -2.58 -3.85 1.43 8.00 -1.26 -3.54 116.55 117.58 2jtc n ASP 68 Ca -0.13 -0.40 -0.09 0.00 0.71 0.00 0.00 54.79 54.88 2jtc n ASP 68 Cb 0.57 -1.16 -0.07 0.00 -0.02 0.00 0.00 41.12 40.45 2jtc n ASP 68 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2jtc s TYR 69 N -2.30 0.15 -0.06 1.24 5.04 -0.74 -4.79 117.35 115.90 2jtc s TYR 69 Ca 0.67 -0.55 -0.30 0.00 -2.44 0.00 0.00 57.07 54.45 2jtc s TYR 69 Cb -0.21 -0.01 0.07 0.00 0.35 0.00 0.00 41.96 42.15 2jtc s TYR 69 CO 0.63 -0.60 0.67 -0.08 -1.34 0.00 0.00 175.55 174.83 2jtc s THR 70 N -3.87 0.00 0.07 4.34 -1.32 -1.26 -1.30 115.64 112.29 2jtc s THR 70 Ca 0.07 -0.01 -0.27 0.00 -1.21 0.00 0.00 61.69 60.27 2jtc s THR 70 Cb 0.04 -0.99 0.07 0.00 -1.51 0.00 0.00 72.50 70.11 2jtc s THR 70 CO -0.09 -0.01 0.64 -0.72 -2.21 0.00 0.00 174.62 172.23 2jtc s TYR 71 N -1.15 -0.59 -0.09 9.09 1.13 -0.95 -4.97 117.35 119.83 2jtc s TYR 71 Ca -0.11 0.68 -0.17 0.00 -1.41 0.00 0.00 57.07 56.06 2jtc s TYR 71 Cb -0.00 0.49 -0.05 0.00 -1.10 0.00 0.00 41.96 41.30 2jtc s TYR 71 CO 0.10 -0.74 0.44 0.99 -2.51 0.00 0.00 175.55 173.82 2jtc s THR 72 N -2.63 5.15 0.47 -3.49 2.01 -1.26 -0.76 115.64 115.13 2jtc s THR 72 Ca -0.04 0.87 -0.20 0.00 0.31 0.00 0.00 61.69 62.63 2jtc s THR 72 Cb -0.01 -3.77 -0.13 0.00 0.01 0.00 0.00 72.50 68.61 2jtc s THR 72 CO -0.03 0.40 0.32 -0.11 -0.69 0.00 0.00 174.62 174.51 2jtc n LEU 73 N 3.16 -1.12 -4.76 4.42 7.94 0.42 -4.83 117.00 122.22 2jtc n LEU 73 Ca -0.10 0.80 -0.39 0.00 -1.11 0.00 0.00 56.01 55.21 2jtc n LEU 73 Cb 0.52 -1.03 0.02 0.00 0.53 0.00 0.00 43.42 43.46 2jtc n LEU 73 CO 0.41 -3.56 1.04 -0.55 -1.11 0.00 0.00 177.39 173.62 2jtc s SER 74 N -1.02 5.79 0.00 1.96 0.15 -1.26 -4.83 113.70 114.49 2jtc s SER 74 Ca 0.63 2.85 0.13 0.00 0.70 0.00 0.00 55.95 60.26 2jtc s SER 74 Cb -0.55 -2.65 0.71 0.00 -1.71 0.00 0.00 66.02 61.82 2jtc s SER 74 CO 0.60 -1.23 1.30 -1.54 1.20 0.00 0.00 173.24 173.57 2jtc n SER 75 N -0.35 0.00 -0.70 5.45 3.41 -1.26 -1.52 113.62 118.65 2jtc n SER 75 Ca 0.06 -0.06 0.12 0.00 -0.26 0.00 0.00 58.87 58.72 2jtc n SER 75 Cb 0.43 -0.20 0.06 0.00 -0.26 0.00 0.00 64.21 64.24 2jtc n SER 75 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2jtc n ASN 76 N -1.20 2.44 -4.61 4.04 2.85 -1.26 -4.89 115.26 112.63 2jtc n ASN 76 Ca 0.07 -1.72 -0.43 0.00 -0.11 0.00 0.00 54.58 52.39 2jtc n ASN 76 Cb 0.09 0.25 -0.02 0.00 1.24 0.00 0.00 39.78 41.33 2jtc n ASN 76 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 2jtc s ASN 77 N -2.25 6.17 -0.14 1.20 3.84 -0.57 -4.83 114.94 118.35 2jtc s ASN 77 Ca 0.23 1.16 0.08 0.00 0.21 0.00 0.00 52.86 54.54 2jtc s ASN 77 Cb 0.19 -2.53 0.46 0.00 -0.55 0.00 0.00 41.25 38.82 2jtc s ASN 77 CO 0.44 -1.51 1.21 -0.81 -2.79 0.00 0.00 177.10 173.64 2jtc n PRO 78 N 8.14 3.15 -0.01 0.43 -0.04 -1.26 -4.07 135.00 141.34 2jtc n PRO 78 Ca 0.19 -1.76 0.01 0.00 -0.04 0.00 0.00 63.50 61.91 2jtc n PRO 78 Cb 0.47 -1.93 -0.04 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 -4.48 0.54 4.01 -1.26 -2.68 117.16 113.62 2jtc n TYR 79 Ca 0.16 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.67 2jtc n TYR 79 Cb 0.79 -0.16 -0.10 0.00 -0.31 0.00 0.00 39.34 39.55 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 -2.31 2.14 0.00 -0.72 0.40 -1.26 0.26 117.98 116.50 2jtc s PHE 80 Ca -0.02 -0.64 0.00 0.00 -0.60 0.00 0.00 56.93 55.66 2jtc s PHE 80 Cb 0.03 -1.26 0.00 0.00 0.51 0.00 0.00 43.02 42.30 2jtc s PHE 80 CO 0.22 0.38 0.44 0.09 0.70 0.00 0.00 175.22 177.05 2jtc n ASN 81 N -0.69 0.00 0.00 1.36 3.02 -1.26 -4.89 115.26 112.81 2jtc n ASN 81 Ca -0.05 0.44 0.00 0.00 -0.03 0.00 0.00 54.58 54.94 2jtc n ASN 81 Cb 0.64 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.81 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 -0.71 0.00 -0.97 3.10 8.25 -1.26 -4.97 115.22 118.66 2jtc n HIS 82 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.20 2jtc n HIS 82 Cb 0.00 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.06 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 2.60 -3.77 -0.41 -0.04 -1.26 -4.23 135.00 127.89 2jtc n PRO 83 Ca 0.00 -1.59 -0.37 0.00 -0.04 0.00 0.00 63.50 61.50 2jtc n PRO 83 Cb 0.00 -2.45 -0.12 0.00 -0.04 0.00 0.00 33.50 30.88 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 2.46 2.50 -0.02 0.54 2.47 -1.26 -4.98 119.74 121.45 2jtc s LYS 84 Ca 0.54 -1.31 -0.03 0.00 -1.56 0.00 0.00 55.97 53.62 2jtc s LYS 84 Cb 0.17 -3.45 -0.04 0.00 -1.46 0.00 0.00 37.83 33.05 2jtc s LYS 84 CO -0.04 -0.74 0.16 -0.80 0.16 0.00 0.00 175.35 174.10 2jtc s ASN 85 N 1.50 6.25 0.23 1.43 0.02 -1.26 0.16 114.94 123.27 2jtc s ASN 85 Ca -0.01 0.33 0.10 0.00 -1.02 0.00 0.00 52.86 52.26 2jtc s ASN 85 Cb -0.20 -1.94 -0.04 0.00 0.02 0.00 0.00 41.25 39.08 2jtc s ASN 85 CO 0.01 0.28 -0.14 -0.76 0.02 0.00 0.00 177.10 176.51 2jtc s LEU 86 N -1.78 2.78 -0.07 0.60 1.02 0.06 -4.92 118.68 116.38 2jtc s LEU 86 Ca 0.25 -0.78 -0.03 0.00 0.02 0.00 0.00 54.13 53.59 2jtc s LEU 86 Cb -0.12 -1.40 0.04 0.00 0.02 0.00 0.00 46.19 44.72 2jtc s LEU 86 CO 0.16 0.07 0.14 0.12 0.02 0.00 0.00 176.35 176.86 2jtc s PHE 87 N -2.04 -0.15 -0.29 0.29 5.36 -1.26 -2.23 117.98 117.65 2jtc s PHE 87 Ca 0.27 0.48 -0.07 0.00 -0.96 0.00 0.00 56.93 56.65 2jtc s PHE 87 Cb -0.07 -0.12 0.00 0.00 -0.34 0.00 0.00 43.02 42.49 2jtc s PHE 87 CO 0.15 -0.18 0.08 0.00 -1.46 0.00 0.00 175.22 173.81 2jtc s ALA 88 N 1.35 3.09 -0.35 11.12 0.00 -0.42 -4.97 121.76 131.59 2jtc s ALA 88 Ca -0.07 -1.42 -0.05 0.00 0.00 0.00 0.00 51.96 50.42 2jtc s ALA 88 Cb -0.12 -2.16 -0.14 0.00 0.00 0.00 0.00 23.12 20.70 2jtc s ALA 88 CO -0.06 -0.88 2.46 0.00 0.00 0.00 0.00 175.76 177.28 2jtc n ALA 89 N 4.88 4.77 0.07 0.00 0.00 -1.26 -1.79 120.51 127.18 2jtc n ALA 89 Ca -0.15 -1.56 -0.13 0.00 0.00 0.00 0.00 53.44 51.61 2jtc n ALA 89 Cb 0.48 -2.55 -0.06 0.00 0.00 0.00 0.00 19.45 17.32 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 2.68 0.27 -0.87 0.00 2.04 -1.88 0.35 117.51 120.10 2jtc h ILE 90 Ca 0.27 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.38 2jtc h ILE 90 Cb 0.72 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 2jtc h ILE 90 CO 0.72 0.00 0.91 0.77 0.00 0.00 0.00 178.15 180.54 2jtc h SER 91 N -0.52 0.00 -0.30 1.72 4.64 -1.72 2.18 113.55 119.55 2jtc h SER 91 Ca 0.05 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.32 2jtc h SER 91 Cb 0.59 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.65 2jtc h SER 91 CO -0.26 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.05 2jtc n THR 92 N -3.54 2.37 -2.73 2.95 -2.24 0.10 -4.49 114.28 106.70 2jtc n THR 92 Ca 0.19 -2.08 -0.32 0.00 -2.27 0.00 0.00 64.05 59.57 2jtc n THR 92 Cb 1.19 -0.28 -0.05 0.00 -2.10 0.00 0.00 70.33 69.10 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 -2.94 3.98 -0.54 -0.78 1.81 0.73 -4.89 118.95 116.33 2jtc s ARG 93 Ca 0.43 0.83 0.01 0.00 -1.72 0.00 0.00 55.73 55.28 2jtc s ARG 93 Cb 0.36 -2.26 0.14 0.00 -0.45 0.00 0.00 34.95 32.74 2jtc s ARG 93 CO 0.07 -0.09 0.31 -0.65 -0.68 0.00 0.00 175.30 174.26 2jtc s GLN 94 N -3.62 2.16 -1.00 3.54 -1.52 -1.26 -2.16 119.66 115.79 2jtc s GLN 94 Ca 0.57 -2.51 -0.23 0.00 -1.95 0.00 0.00 55.36 51.24 2jtc s GLN 94 Cb -0.10 -3.47 0.06 0.00 -0.22 0.00 0.00 33.01 29.28 2jtc s GLN 94 CO 0.25 -1.12 1.41 0.71 -0.25 0.00 0.00 175.29 176.29 2jtc s TYR 95 N -0.08 2.59 -1.01 0.91 2.02 0.67 -4.91 117.35 117.54 2jtc s TYR 95 Ca 0.16 -0.89 -0.23 0.00 -0.37 0.00 0.00 57.07 55.75 2jtc s TYR 95 Cb -0.23 -4.65 0.05 0.00 -0.40 0.00 0.00 41.96 36.73 2jtc s TYR 95 CO -0.02 -1.89 1.44 1.21 -1.57 0.00 0.00 175.55 174.72 2jtc s ASN 96 N 4.80 6.49 0.00 2.29 3.84 -1.26 -4.42 114.94 126.69 2jtc s ASN 96 Ca 0.44 -1.42 0.02 0.00 0.21 0.00 0.00 52.86 52.10 2jtc s ASN 96 Cb -0.01 -2.57 0.08 0.00 -0.55 0.00 0.00 41.25 38.21 2jtc s ASN 96 CO -0.09 -1.52 0.94 0.79 -2.79 0.00 0.00 177.10 174.43 2jtc n TRP 97 N 8.89 0.00 0.24 0.43 5.03 -1.26 -0.04 117.44 130.73 2jtc n TRP 97 Ca 0.32 0.00 0.12 0.00 3.03 0.00 0.00 57.50 60.97 2jtc n TRP 97 Cb 0.51 -0.38 0.03 0.00 -1.03 0.00 0.00 31.31 30.45 2jtc n TRP 97 CO 0.00 0.00 0.00 0.09 -0.03 0.00 0.00 177.69 177.75 2jtc n ASN 98 N -1.38 0.79 -0.09 -0.99 4.13 -1.26 -3.93 115.26 112.53 2jtc n ASN 98 Ca 0.01 0.24 -0.10 0.00 1.68 0.00 0.00 54.58 56.41 2jtc n ASN 98 Cb 0.02 0.43 -0.16 0.00 -1.54 0.00 0.00 39.78 38.53 2jtc n ASN 98 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2jtc n ASN 99 N -2.50 0.11 -3.62 6.41 3.02 0.93 -4.56 115.26 115.06 2jtc n ASN 99 Ca 0.01 0.05 -0.41 0.00 -0.03 0.00 0.00 54.58 54.19 2jtc n ASN 99 Cb 0.52 0.87 -0.04 0.00 -0.61 0.00 0.00 39.78 40.52 2jtc n ASN 99 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 2jtc n ILE 100 N -2.79 2.45 -1.41 2.41 5.41 -0.24 -4.50 119.36 120.69 2jtc n ILE 100 Ca -0.31 -2.05 -0.38 0.00 1.00 0.00 0.00 62.75 61.00 2jtc n ILE 100 Cb 1.15 -2.41 0.03 0.00 -0.71 0.00 0.00 39.64 37.70 2jtc n ILE 100 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2jtc n LEU 101 N 6.70 -0.09 0.09 1.39 4.77 -1.26 -4.88 117.00 123.72 2jtc n LEU 101 Ca 0.51 0.71 -0.03 0.00 -0.03 0.00 0.00 56.01 57.17 2jtc n LEU 101 Cb 0.38 -1.11 -0.07 0.00 -2.33 0.00 0.00 43.42 40.29 2jtc n LEU 101 CO 0.97 -3.40 0.25 1.55 -1.33 0.00 0.00 177.39 175.44 2jtc h PRO 102 N 0.16 0.00 -3.77 3.23 0.13 -1.86 -3.44 132.00 126.45 2jtc h PRO 102 Ca -0.45 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.25 2jtc h PRO 102 Cb 1.41 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 32.16 2jtc h PRO 102 CO 0.46 0.81 -0.77 -0.08 -0.23 0.00 0.00 178.00 178.19 2jtc s THR 103 N -2.80 0.41 -0.07 1.56 -1.32 -1.19 0.23 115.64 112.45 2jtc s THR 103 Ca 0.02 0.07 0.00 0.00 -1.21 0.00 0.00 61.69 60.57 2jtc s THR 103 Cb 0.09 -0.54 -0.03 0.00 -1.51 0.00 0.00 72.50 70.51 2jtc s THR 103 CO 0.79 0.25 -0.05 -0.31 -2.21 0.00 0.00 174.62 173.09 2jtc s TYR 104 N 1.76 3.00 -1.39 9.09 2.02 -1.22 -4.94 117.35 125.67 2jtc s TYR 104 Ca 0.02 0.06 0.21 0.00 -0.37 0.00 0.00 57.07 57.00 2jtc s TYR 104 Cb -0.13 -1.73 -0.14 0.00 -0.40 0.00 0.00 41.96 39.56 2jtc s TYR 104 CO -0.04 0.36 0.96 -1.13 -1.57 0.00 0.00 175.55 174.14 2jtc n SER 105 N 2.21 1.39 0.00 2.29 3.41 -1.26 -4.94 113.62 116.72 2jtc n SER 105 Ca -0.18 -1.20 0.00 0.00 -0.26 0.00 0.00 58.87 57.23 2jtc n SER 105 Cb 0.53 0.80 0.00 0.00 -0.26 0.00 0.00 64.21 65.28 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 1.46 0.71 0.10 5.00 0.00 -1.26 -4.86 105.19 106.34 2jtc n GLY 106 Ca 0.06 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.00 1.98 -1.36 1.61 1.74 -1.26 -4.94 116.66 112.43 2jtc n ARG 107 Ca 0.00 -1.33 -0.29 0.00 -0.77 0.00 0.00 57.85 55.46 2jtc n ARG 107 Cb 0.00 -1.04 0.15 0.00 -1.02 0.00 0.00 32.46 30.54 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 -0.77 0.96 1.00 5.56 8.01 -1.26 -5.00 118.70 127.19 2jtc s GLU 108 Ca 0.04 0.47 -0.12 0.00 0.01 0.00 0.00 54.97 55.37 2jtc s GLU 108 Cb 0.02 -1.80 0.19 0.00 -4.31 0.00 0.00 34.13 28.23 2jtc s GLU 108 CO 0.03 -2.36 1.08 -1.54 0.01 0.00 0.00 175.26 172.48 2jtc s SER 109 N -3.73 2.41 0.25 -0.19 1.04 -1.26 -4.85 113.70 107.37 2jtc s SER 109 Ca 0.64 1.68 0.06 0.00 0.48 0.00 0.00 55.95 58.81 2jtc s SER 109 Cb -0.17 -2.32 0.30 0.00 0.10 0.00 0.00 66.02 63.93 2jtc s SER 109 CO 0.55 -3.34 1.59 0.78 0.98 0.00 0.00 173.24 173.81 2jtc h ASN 110 N -2.03 0.20 0.21 7.02 4.21 -1.97 -2.61 115.58 120.61 2jtc h ASN 110 Ca -0.52 -0.11 0.00 0.00 1.21 0.00 0.00 56.30 56.88 2jtc h ASN 110 Cb 1.30 -0.06 -0.03 0.00 -1.12 0.00 0.00 38.32 38.41 2jtc h ASN 110 CO 0.50 0.74 -0.44 0.58 -1.29 0.00 0.00 177.43 177.52 2jtc h VAL 111 N 0.13 0.00 -0.32 2.81 2.07 -1.99 1.65 116.25 120.61 2jtc h VAL 111 Ca -0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 2jtc h VAL 111 Cb 1.07 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 2jtc h VAL 111 CO 0.09 0.00 0.08 1.56 0.02 0.00 0.00 177.57 179.32 2jtc h GLN 112 N -0.71 0.45 -0.38 1.57 7.50 -1.79 -1.20 115.11 120.56 2jtc h GLN 112 Ca -0.02 -0.07 -0.06 0.00 0.50 0.00 0.00 58.65 59.01 2jtc h GLN 112 Cb 0.67 -0.08 -0.01 0.00 0.05 0.00 0.00 27.48 28.11 2jtc h GLN 112 CO -0.18 0.42 0.02 0.87 -1.50 0.00 0.00 178.83 178.46 2jtc h LYS 113 N 0.45 0.65 -0.70 1.46 1.57 -0.82 -1.92 116.57 117.26 2jtc h LYS 113 Ca 0.11 -0.20 0.04 0.00 -1.87 0.00 0.00 60.65 58.73 2jtc h LYS 113 Cb 0.17 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 2jtc h LYS 113 CO -0.00 0.74 0.46 1.98 -0.57 0.00 0.00 179.45 182.06 2jtc h MET 114 N 0.48 0.81 0.16 3.15 4.05 0.32 1.03 114.93 124.93 2jtc h MET 114 Ca 0.11 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.47 2jtc h MET 114 Cb 0.43 -0.18 -0.00 0.00 -0.80 0.00 0.00 31.60 31.05 2jtc h MET 114 CO 0.02 0.54 -0.11 0.00 0.23 0.00 0.00 176.91 177.59 2jtc h ALA 115 N 1.59 -0.94 -0.72 0.39 0.00 -0.49 1.11 119.26 120.20 2jtc h ALA 115 Ca 0.28 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 2jtc h ALA 115 Cb 0.08 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2jtc h ALA 115 CO -0.08 -0.94 0.25 0.97 0.00 0.00 0.00 179.25 179.45 2jtc h ILE 116 N -0.25 1.26 -0.70 0.00 6.09 -1.25 0.21 117.51 122.86 2jtc h ILE 116 Ca -0.02 -0.86 0.04 0.00 -1.37 0.00 0.00 64.86 62.65 2jtc h ILE 116 Cb 0.21 0.46 -0.05 0.00 0.47 0.00 0.00 36.82 37.91 2jtc h ILE 116 CO 0.01 0.34 0.43 0.77 -3.07 0.00 0.00 178.15 176.63 2jtc h SER 117 N 1.05 0.69 -0.24 2.19 4.64 0.12 0.28 113.55 122.27 2jtc h SER 117 Ca 0.23 0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 61.42 2jtc h SER 117 Cb 0.27 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 2jtc h SER 117 CO -0.01 0.47 -0.36 -0.08 -0.87 0.00 0.00 176.83 175.97 2jtc h GLU 118 N 0.82 0.77 0.04 4.77 4.81 0.18 -0.05 114.58 125.92 2jtc h GLU 118 Ca 0.29 -0.38 0.02 0.00 -0.13 0.00 0.00 59.36 59.15 2jtc h GLU 118 Cb 0.07 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 2jtc h GLU 118 CO -0.13 1.01 -0.15 1.25 -0.73 0.00 0.00 179.01 180.26 2jtc h LEU 119 N 0.64 -0.43 -0.73 1.64 5.85 0.77 1.01 115.31 124.06 2jtc h LEU 119 Ca 0.06 0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.88 2jtc h LEU 119 Cb 0.91 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 42.06 2jtc h LEU 119 CO 0.08 -0.21 0.45 0.24 -0.34 0.00 0.00 178.44 178.65 2jtc h MET 120 N -0.27 0.82 -0.60 1.25 2.86 -0.30 2.21 114.93 120.89 2jtc h MET 120 Ca 0.04 -0.05 -0.07 0.00 -2.06 0.00 0.00 59.70 57.55 2jtc h MET 120 Cb 0.31 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.76 2jtc h MET 120 CO -0.11 0.54 0.09 0.00 1.06 0.00 0.00 176.91 178.49 2jtc h ALA 121 N 1.34 1.02 0.26 6.32 0.00 0.02 2.26 119.26 130.48 2jtc h ALA 121 Ca 0.31 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2jtc h ALA 121 Cb 0.10 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2jtc h ALA 121 CO -0.14 0.62 -0.13 -0.44 0.00 0.00 0.00 179.25 179.16 2jtc h ASP 122 N 0.92 -0.30 0.65 0.00 3.32 0.26 -0.16 116.42 121.11 2jtc h ASP 122 Ca 0.19 -0.23 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 2jtc h ASP 122 Cb 0.41 0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.04 2jtc h ASP 122 CO 0.01 0.14 -0.36 0.58 -1.72 0.00 0.00 179.24 177.90 2jtc h VAL 123 N -0.82 0.00 -0.79 -1.35 2.07 0.38 0.88 116.25 116.62 2jtc h VAL 123 Ca -0.04 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.67 2jtc h VAL 123 Cb 0.51 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.15 2jtc h VAL 123 CO 0.06 0.00 0.07 1.23 0.02 0.00 0.00 177.57 178.95 2jtc h GLY 124 N -0.93 0.98 0.83 2.17 0.00 0.37 0.20 103.07 106.69 2jtc h GLY 124 Ca -0.09 0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 2jtc h GLY 124 CO 0.12 -0.30 -0.30 -2.22 0.00 0.00 0.00 176.54 173.84 2jtc h ILE 125 N 0.14 0.29 -0.99 2.60 2.04 -0.74 0.43 117.51 121.29 2jtc h ILE 125 Ca 0.45 -0.24 0.29 0.00 1.00 0.00 0.00 64.86 66.35 2jtc h ILE 125 Cb 0.82 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 2jtc h ILE 125 CO -0.65 0.03 0.89 0.77 0.00 0.00 0.00 178.15 179.19 2jtc h SER 126 N -1.02 0.00 -0.80 1.72 4.64 0.29 1.05 113.55 119.43 2jtc h SER 126 Ca -0.09 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.79 2jtc h SER 126 Cb 0.69 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 62.52 2jtc h SER 126 CO 0.14 0.00 0.41 1.33 -0.87 0.00 0.00 176.83 177.84 2jtc n VAL 127 N -3.75 3.05 -4.39 0.95 0.24 0.48 -4.52 118.33 110.39 2jtc n VAL 127 Ca 0.21 -2.37 -0.37 0.00 -2.04 0.00 0.00 64.34 59.77 2jtc n VAL 127 Cb 1.21 -0.53 -0.07 0.00 -1.47 0.00 0.00 33.84 32.98 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 -1.10 -1.20 -4.74 -1.34 8.00 0.36 -4.30 116.55 112.22 2jtc n ASP 128 Ca 0.52 -1.20 -0.42 0.00 0.71 0.00 0.00 54.79 54.40 2jtc n ASP 128 Cb 1.35 -1.90 -0.02 0.00 -0.02 0.00 0.00 41.12 40.53 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 -7.18 4.12 -0.12 -1.24 -2.45 0.15 -4.67 119.30 107.90 2jtc s MET 129 Ca 0.53 2.59 -0.30 0.00 -1.25 0.00 0.00 55.69 57.26 2jtc s MET 129 Cb -0.30 -3.03 -0.02 0.00 1.25 0.00 0.00 34.83 32.73 2jtc s MET 129 CO 0.99 -0.66 1.15 0.34 1.05 0.00 0.00 175.02 177.90 2jtc s ASP 130 N 0.62 7.07 -0.46 1.11 -1.08 0.14 -4.87 116.67 119.21 2jtc s ASP 130 Ca 0.65 1.66 -0.12 0.00 -0.52 0.00 0.00 52.55 54.22 2jtc s ASP 130 Cb -0.48 -2.55 0.09 0.00 -1.46 0.00 0.00 42.92 38.51 2jtc s ASP 130 CO 0.45 -0.62 0.35 -0.31 0.52 0.00 0.00 175.17 175.56 2jtc s TYR 131 N 2.65 3.30 0.00 -5.34 2.02 -1.26 -2.45 117.35 116.28 2jtc s TYR 131 Ca 0.52 -1.32 0.00 0.00 -0.37 0.00 0.00 57.07 55.91 2jtc s TYR 131 Cb -0.21 -3.19 -0.00 0.00 -0.40 0.00 0.00 41.96 38.16 2jtc s TYR 131 CO 0.17 -0.86 0.00 0.41 -1.57 0.00 0.00 175.55 173.70 2jtc n GLY 132 N 5.06 3.82 0.32 0.71 0.00 -1.26 -4.80 105.19 109.03 2jtc n GLY 132 Ca -0.11 -1.59 0.20 0.00 0.00 0.00 0.00 46.02 44.52 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 -5.34 1.61 0.13 -1.89 1.32 132.00 127.83 2jtc h PRO 133 Ca -0.00 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.48 2jtc h PRO 133 Cb 0.00 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 30.89 2jtc h PRO 133 CO 0.00 0.01 -0.72 -1.54 -0.23 0.00 0.00 178.00 175.53 2jtc s SER 134 N -5.44 4.40 -0.27 1.44 1.04 -1.25 -4.16 113.70 109.46 2jtc s SER 134 Ca -0.04 -0.22 -0.03 0.00 0.48 0.00 0.00 55.95 56.14 2jtc s SER 134 Cb 0.12 -1.67 0.03 0.00 0.10 0.00 0.00 66.02 64.60 2jtc s SER 134 CO 0.47 0.17 -0.02 -0.44 0.98 0.00 0.00 173.24 174.40 2jtc s SER 135 N 0.31 4.60 -0.19 7.02 0.01 -1.26 -4.66 113.70 119.53 2jtc s SER 135 Ca -0.07 -0.94 -0.05 0.00 1.31 0.00 0.00 55.95 56.19 2jtc s SER 135 Cb -0.15 -1.71 -0.03 0.00 0.21 0.00 0.00 66.02 64.34 2jtc s SER 135 CO 0.04 -0.17 0.01 -0.83 0.41 0.00 0.00 173.24 172.70 2jtc s GLY 136 N 1.34 1.75 0.04 3.44 0.00 -1.02 -3.94 107.32 108.92 2jtc s GLY 136 Ca -0.01 -0.92 0.00 0.00 0.00 0.00 0.00 44.72 43.80 2jtc s GLY 136 CO -0.02 0.15 0.01 -1.26 0.00 0.00 0.00 173.10 171.97 2jtc n SER 137 N 4.00 1.91 -0.11 1.64 2.88 -1.26 0.29 113.62 122.97 2jtc n SER 137 Ca -0.17 -1.16 -0.22 0.00 -1.33 0.00 0.00 58.87 55.99 2jtc n SER 137 Cb 0.52 0.02 -0.11 0.00 -0.75 0.00 0.00 64.21 63.89 2jtc n SER 137 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jtc n ALA 138 N -2.89 0.81 0.00 -1.46 0.00 -1.26 -2.91 120.51 112.80 2jtc n ALA 138 Ca -0.01 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.90 2jtc n ALA 138 Cb 0.05 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 18.97 2jtc n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jtc n GLY 139 N 1.43 1.17 0.00 0.00 0.00 -1.26 -2.42 105.19 104.11 2jtc n GLY 139 Ca -0.33 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.64 2jtc n GLY 139 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jtc n SER 140 N 0.00 0.00 -0.38 1.61 7.64 -1.26 0.20 113.62 121.43 2jtc n SER 140 Ca 0.00 0.88 0.34 0.00 1.01 0.00 0.00 58.87 61.10 2jtc n SER 140 Cb 0.00 -0.38 0.67 0.00 -1.01 0.00 0.00 64.21 63.49 2jtc n SER 140 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2jtc h SER 141 N 0.00 0.17 0.00 6.43 4.64 -1.96 0.60 113.55 123.44 2jtc h SER 141 Ca 0.00 0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.35 2jtc h SER 141 Cb 0.00 0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2jtc h SER 141 CO 0.00 -0.00 -0.06 0.03 -0.87 0.00 0.00 176.83 175.92 2jtc h ARG 142 N 0.13 0.00 0.48 4.77 2.47 -1.64 -2.82 114.38 117.78 2jtc h ARG 142 Ca 0.65 -0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 59.34 2jtc h ARG 142 Cb 2.24 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.57 2jtc h ARG 142 CO -0.16 1.00 -0.23 0.28 0.56 0.00 0.00 179.97 181.42 2jtc h VAL 143 N -0.99 0.25 -0.47 2.04 2.07 0.43 1.01 116.25 120.59 2jtc h VAL 143 Ca -0.02 -0.52 0.10 0.00 0.82 0.00 0.00 66.70 67.08 2jtc h VAL 143 Cb 1.02 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 2jtc h VAL 143 CO -0.01 0.05 0.32 0.06 0.02 0.00 0.00 177.57 178.01 2jtc h GLN 144 N -1.07 0.21 0.04 1.57 -0.00 -0.06 1.15 115.11 116.95 2jtc h GLN 144 Ca -0.07 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.65 58.57 2jtc h GLN 144 Cb 0.57 -0.05 0.00 0.00 -0.00 0.00 0.00 27.48 28.01 2jtc h GLN 144 CO 0.11 0.14 -0.02 -0.09 -0.00 0.00 0.00 178.83 178.97 2jtc h ARG 145 N 0.21 -0.05 -0.59 0.06 2.43 -1.36 -3.16 114.38 111.92 2jtc h ARG 145 Ca 0.22 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.34 2jtc h ARG 145 Cb 0.58 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.12 2jtc h ARG 145 CO -0.04 0.59 0.15 0.00 -1.51 0.00 0.00 179.97 179.15 2jtc h ALA 146 N -0.20 1.14 -0.45 2.80 0.00 0.16 0.77 119.26 123.49 2jtc h ALA 146 Ca -0.01 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.75 2jtc h ALA 146 Cb 0.66 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 2jtc h ALA 146 CO 0.01 0.58 0.13 -0.07 0.00 0.00 0.00 179.25 179.90 2jtc h LEU 147 N 0.88 0.10 0.08 0.00 3.38 0.12 0.21 115.31 120.08 2jtc h LEU 147 Ca 0.19 0.06 -0.26 0.00 0.09 0.00 0.00 57.88 57.96 2jtc h LEU 147 Cb 0.31 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2jtc h LEU 147 CO -0.00 0.09 -1.38 0.11 0.09 0.00 0.00 178.44 177.34 2jtc h LYS 148 N 0.28 0.17 -0.06 1.13 1.57 -1.46 0.51 116.57 118.71 2jtc h LYS 148 Ca 0.21 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2jtc h LYS 148 Cb 0.24 0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 2jtc h LYS 148 CO -0.25 1.14 0.00 0.93 -0.57 0.00 0.00 179.45 180.70 2jtc h GLU 149 N -0.47 0.11 0.03 3.15 5.08 0.58 -1.52 114.58 121.54 2jtc h GLU 149 Ca -0.32 -0.03 -0.36 0.00 -1.00 0.00 0.00 59.36 57.65 2jtc h GLU 149 Cb 1.64 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.83 2jtc h GLU 149 CO -0.01 0.37 -2.00 0.09 -1.00 0.00 0.00 179.01 176.46 2jtc n ASN 150 N -4.87 1.98 -1.84 1.42 5.03 0.54 -4.35 115.26 113.17 2jtc n ASN 150 Ca -0.07 0.24 0.08 0.00 0.87 0.00 0.00 54.58 55.70 2jtc n ASN 150 Cb 0.18 -0.80 0.40 0.00 -1.02 0.00 0.00 39.78 38.54 2jtc n ASN 150 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 2jtc n PHE 151 N -3.91 1.96 -3.18 3.10 3.72 -0.12 -2.26 117.46 116.77 2jtc n PHE 151 Ca -0.40 -0.70 -0.20 0.00 -0.05 0.00 0.00 57.45 56.10 2jtc n PHE 151 Cb 0.89 -0.45 -0.04 0.00 -0.94 0.00 0.00 39.48 38.93 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 0.77 -0.15 3.64 1.37 0.00 -0.32 -4.71 105.19 105.79 2jtc n GLY 152 Ca 0.28 0.06 -0.30 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.70 1.83 0.62 1.61 1.51 0.16 -4.87 117.35 115.50 2jtc s TYR 153 Ca 0.28 1.44 -0.17 0.00 -1.01 0.00 0.00 57.07 57.60 2jtc s TYR 153 Cb -0.16 -3.20 -0.09 0.00 -0.11 0.00 0.00 41.96 38.41 2jtc s TYR 153 CO 0.52 -2.91 0.38 -1.71 -1.11 0.00 0.00 175.55 170.71 2jtc n ASN 154 N -4.27 -1.66 0.24 2.29 2.85 0.19 -4.63 115.26 110.27 2jtc n ASN 154 Ca 0.08 0.66 0.13 0.00 -0.11 0.00 0.00 54.58 55.34 2jtc n ASN 154 Cb 0.54 -1.12 0.71 0.00 1.24 0.00 0.00 39.78 41.14 2jtc n ASN 154 CO 0.00 0.00 0.00 1.56 -2.11 0.00 0.00 177.26 176.71 2jtc h GLN 155 N -0.01 0.00 0.00 1.20 1.08 -1.89 -0.98 115.11 114.51 2jtc h GLN 155 Ca -0.45 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.75 2jtc h GLN 155 Cb 1.39 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.82 2jtc h GLN 155 CO 0.44 0.00 0.18 -1.13 -0.95 0.00 0.00 178.83 177.37 2jtc n SER 156 N -2.52 0.43 -4.66 1.46 3.41 -1.26 -4.47 113.62 106.01 2jtc n SER 156 Ca -0.02 0.64 -0.43 0.00 -0.26 0.00 0.00 58.87 58.81 2jtc n SER 156 Cb 0.20 -0.64 -0.02 0.00 -0.26 0.00 0.00 64.21 63.49 2jtc n SER 156 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2jtc s VAL 157 N -3.41 4.05 0.28 -3.33 1.01 -0.37 -3.92 120.40 114.71 2jtc s VAL 157 Ca -0.02 1.26 -0.02 0.00 0.00 0.00 0.00 61.98 63.20 2jtc s VAL 157 Cb 0.05 -3.84 0.01 0.00 0.00 0.00 0.00 36.38 32.60 2jtc s VAL 157 CO 0.15 -0.13 0.41 0.00 0.00 0.00 0.00 175.10 175.53 2jtc n HIS 158 N 6.87 -1.32 -5.06 5.22 1.44 -1.12 -4.94 115.22 116.32 2jtc n HIS 158 Ca 0.15 -1.85 -0.28 0.00 -2.01 0.00 0.00 57.72 53.73 2jtc n HIS 158 Cb 0.44 0.47 -0.16 0.00 0.12 0.00 0.00 29.99 30.86 2jtc n HIS 158 CO 0.00 0.00 0.00 -1.14 -2.81 0.00 0.00 176.34 172.39 2jtc s GLN 159 N -2.59 1.82 0.45 -1.40 0.74 -1.26 -2.78 119.66 114.63 2jtc s GLN 159 Ca 0.22 -0.76 0.03 0.00 0.05 0.00 0.00 55.36 54.90 2jtc s GLN 159 Cb -0.01 -1.71 -0.03 0.00 1.10 0.00 0.00 33.01 32.35 2jtc s GLN 159 CO 0.16 0.43 0.05 0.96 -0.55 0.00 0.00 175.29 176.34 2jtc s ILE 160 N -0.42 1.11 -0.35 -2.34 -4.36 0.38 -4.88 121.20 110.34 2jtc s ILE 160 Ca 0.06 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.46 2jtc s ILE 160 Cb -0.09 -2.40 0.11 0.00 1.25 0.00 0.00 42.46 41.32 2jtc s ILE 160 CO -0.00 0.00 0.12 0.20 0.24 0.00 0.00 174.94 175.50 2jtc s ASN 161 N -3.73 4.12 0.32 4.36 0.02 -1.26 -1.65 114.94 117.12 2jtc s ASN 161 Ca 0.19 -2.00 0.09 0.00 -1.02 0.00 0.00 52.86 50.11 2jtc s ASN 161 Cb 0.04 -1.09 0.89 0.00 0.02 0.00 0.00 41.25 41.11 2jtc s ASN 161 CO 0.10 -0.37 1.69 -0.09 0.02 0.00 0.00 177.10 178.45 2jtc h ARG 162 N 7.65 0.41 -0.00 -0.60 9.65 -1.35 1.33 114.38 131.47 2jtc h ARG 162 Ca -0.09 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.77 2jtc h ARG 162 Cb 0.99 -0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 29.48 2jtc h ARG 162 CO 0.49 0.27 0.01 0.78 2.80 0.00 0.00 179.97 184.32 2jtc h GLY 163 N 0.42 0.00 -1.56 2.80 0.00 -1.93 -1.38 103.07 101.42 2jtc h GLY 163 Ca 0.64 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.97 2jtc h GLY 163 CO -0.55 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.21 2jtc n ASP 164 N -3.22 2.62 -4.71 0.19 8.00 0.45 -4.99 116.55 114.88 2jtc n ASP 164 Ca -0.03 -1.80 -0.29 0.00 0.71 0.00 0.00 54.79 53.38 2jtc n ASP 164 Cb 0.09 -0.01 -0.08 0.00 -0.02 0.00 0.00 41.12 41.09 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 -1.58 2.25 -0.14 1.24 0.40 -0.52 -5.01 117.98 114.61 2jtc s PHE 165 Ca 0.23 -0.77 -0.07 0.00 -0.60 0.00 0.00 56.93 55.72 2jtc s PHE 165 Cb 0.16 -1.76 -0.04 0.00 0.51 0.00 0.00 43.02 41.88 2jtc s PHE 165 CO 0.24 0.26 0.11 -1.54 0.70 0.00 0.00 175.22 174.99 2jtc s SER 166 N -3.84 6.11 0.15 1.36 1.04 -1.26 -4.87 113.70 112.39 2jtc s SER 166 Ca 0.26 0.33 -0.07 0.00 0.48 0.00 0.00 55.95 56.95 2jtc s SER 166 Cb 0.05 -1.99 0.21 0.00 0.10 0.00 0.00 66.02 64.40 2jtc s SER 166 CO 0.14 0.33 0.89 1.17 0.98 0.00 0.00 173.24 176.75 2jtc n LYS 167 N 2.54 -0.08 0.35 4.02 4.81 -1.26 0.19 118.16 128.73 2jtc n LYS 167 Ca -0.19 0.89 -0.16 0.00 -0.87 0.00 0.00 58.31 57.99 2jtc n LYS 167 Cb 0.54 -1.33 -0.08 0.00 0.02 0.00 0.00 35.03 34.18 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 -0.89 0.00 1.64 7.50 -1.99 0.12 115.11 121.49 2jtc h GLN 168 Ca 0.25 0.06 0.00 0.00 0.50 0.00 0.00 58.65 59.46 2jtc h GLN 168 Cb 0.39 0.20 0.00 0.00 0.05 0.00 0.00 27.48 28.12 2jtc h GLN 168 CO -0.58 -0.56 0.00 -0.44 -1.50 0.00 0.00 178.83 175.74 2jtc h ASP 169 N -1.15 0.00 -0.01 1.46 5.19 -1.09 -1.38 116.42 119.44 2jtc h ASP 169 Ca -0.09 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.25 2jtc h ASP 169 Cb 0.74 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.25 2jtc h ASP 169 CO 0.15 0.00 -0.23 -0.25 -3.12 0.00 0.00 179.24 175.79 2jtc h TRP 170 N 0.00 0.26 0.00 4.55 2.91 0.26 -2.93 115.95 121.00 2jtc h TRP 170 Ca 0.00 -0.13 -0.02 0.00 1.13 0.00 0.00 58.89 59.87 2jtc h TRP 170 Cb 0.13 -0.03 -0.00 0.00 -0.51 0.00 0.00 29.16 28.74 2jtc h TRP 170 CO 0.00 0.90 -0.08 0.93 -1.03 0.00 0.00 178.44 179.16 2jtc h GLU 171 N -0.45 0.00 -0.61 2.65 5.08 0.08 -1.83 114.58 119.50 2jtc h GLU 171 Ca -0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2jtc h GLU 171 Cb 0.95 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.17 2jtc h GLU 171 CO 0.05 0.08 0.35 0.00 -1.00 0.00 0.00 179.01 178.49 2jtc h ALA 172 N 1.92 0.78 -0.58 3.43 0.00 -1.11 2.17 119.26 125.87 2jtc h ALA 172 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2jtc h ALA 172 Cb 0.27 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2jtc h ALA 172 CO 0.01 0.28 0.37 1.96 0.00 0.00 0.00 179.25 181.87 2jtc h GLN 173 N 0.83 0.78 -0.09 0.00 1.08 -1.23 -0.42 115.11 116.04 2jtc h GLN 173 Ca 0.22 -0.06 -0.20 0.00 -1.45 0.00 0.00 58.65 57.15 2jtc h GLN 173 Cb 0.02 -0.17 0.01 0.00 -0.05 0.00 0.00 27.48 27.29 2jtc h GLN 173 CO -0.04 0.54 -0.74 0.82 -0.95 0.00 0.00 178.83 178.47 2jtc h ILE 174 N 0.78 1.32 -0.36 2.54 2.04 -1.34 -3.11 117.51 119.38 2jtc h ILE 174 Ca 0.21 -2.00 0.08 0.00 1.00 0.00 0.00 64.86 64.15 2jtc h ILE 174 Cb -0.05 2.20 -0.08 0.00 -0.74 0.00 0.00 36.82 38.15 2jtc h ILE 174 CO -0.04 0.62 -0.19 -0.78 0.00 0.00 0.00 178.15 177.75 2jtc h ASP 175 N 0.32 -0.65 -0.36 1.72 1.82 0.40 0.56 116.42 120.22 2jtc h ASP 175 Ca -0.07 0.15 0.07 0.00 -0.39 0.00 0.00 57.03 56.79 2jtc h ASP 175 Cb 1.39 0.35 -0.07 0.00 0.68 0.00 0.00 39.33 41.67 2jtc h ASP 175 CO 0.15 -0.23 -0.13 0.50 -1.61 0.00 0.00 179.24 177.92 2jtc h LYS 176 N -0.14 -0.06 0.60 0.28 3.64 -1.11 2.24 116.57 122.02 2jtc h LYS 176 Ca 0.18 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.54 2jtc h LYS 176 Cb 0.42 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 2jtc h LYS 176 CO -0.45 -0.04 -0.44 0.93 -2.27 0.00 0.00 179.45 177.18 2jtc h GLU 177 N -0.06 -0.96 -0.57 1.90 4.39 -0.97 -1.77 114.58 116.54 2jtc h GLU 177 Ca 0.18 0.07 0.12 0.00 0.34 0.00 0.00 59.36 60.06 2jtc h GLU 177 Cb 0.33 0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 29.17 2jtc h GLU 177 CO -0.40 -0.64 0.39 -0.07 -1.16 0.00 0.00 179.01 177.13 2jtc h LEU 178 N -1.00 0.23 -0.18 1.33 3.38 0.20 0.32 115.31 119.59 2jtc h LEU 178 Ca -0.08 0.01 0.05 0.00 0.09 0.00 0.00 57.88 57.95 2jtc h LEU 178 Cb 0.82 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.47 2jtc h LEU 178 CO 0.03 0.13 -0.24 0.77 0.09 0.00 0.00 178.44 179.23 2jtc h SER 179 N 0.25 -0.74 -0.62 -0.43 4.64 0.46 0.45 113.55 117.56 2jtc h SER 179 Ca 0.27 0.13 -0.36 0.00 -0.47 0.00 0.00 61.79 61.36 2jtc h SER 179 Cb 0.71 0.34 -0.14 0.00 -0.31 0.00 0.00 62.40 63.00 2jtc h SER 179 CO -0.06 -0.28 0.33 0.00 -0.87 0.00 0.00 176.83 175.95 2jtc n GLN 180 N -5.37 1.98 -4.18 4.77 6.02 -0.88 -4.77 117.38 114.95 2jtc n GLN 180 Ca -0.02 -1.71 -0.33 0.00 -0.01 0.00 0.00 57.00 54.92 2jtc n GLN 180 Cb 0.28 -1.79 -0.06 0.00 1.02 0.00 0.00 30.24 29.69 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 0.74 -0.56 -3.99 1.08 4.13 0.15 -4.91 115.26 111.91 2jtc n ASN 181 Ca 0.36 -1.23 -0.30 0.00 1.68 0.00 0.00 54.58 55.09 2jtc n ASN 181 Cb 0.59 -1.94 -0.16 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 -7.20 1.95 1.06 3.52 -0.21 0.11 -4.95 119.66 113.94 2jtc s GLN 182 Ca 0.12 -0.88 -0.12 0.00 0.02 0.00 0.00 55.36 54.49 2jtc s GLN 182 Cb -0.06 -2.46 0.22 0.00 1.00 0.00 0.00 33.01 31.71 2jtc s GLN 182 CO 0.97 -0.47 1.07 -1.25 -2.12 0.00 0.00 175.29 173.49 2jtc s PRO 183 N 1.39 -0.08 -0.05 2.91 0.04 -1.26 -0.88 135.00 137.06 2jtc s PRO 183 Ca -0.02 0.66 0.04 0.00 0.04 0.00 0.00 61.00 61.72 2jtc s PRO 183 Cb -0.17 -1.67 -0.00 0.00 0.04 0.00 0.00 34.50 32.70 2jtc s PRO 183 CO -0.08 -3.11 -0.18 0.08 0.04 0.00 0.00 177.00 173.75 2jtc s VAL 184 N -2.76 1.52 -0.20 -0.36 1.01 0.35 -4.49 120.40 115.47 2jtc s VAL 184 Ca 0.66 -0.75 -0.23 0.00 0.00 0.00 0.00 61.98 61.66 2jtc s VAL 184 Cb -0.21 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.84 2jtc s VAL 184 CO 0.60 0.44 0.75 -0.47 0.00 0.00 0.00 175.10 176.42 2jtc s TYR 185 N 0.13 3.37 0.29 5.22 6.14 -0.36 0.61 117.35 132.75 2jtc s TYR 185 Ca -0.07 1.09 0.08 0.00 0.64 0.00 0.00 57.07 58.82 2jtc s TYR 185 Cb -0.13 -2.94 -0.06 0.00 0.42 0.00 0.00 41.96 39.26 2jtc s TYR 185 CO 0.03 -0.26 -0.10 -0.47 0.64 0.00 0.00 175.55 175.39 2jtc s TYR 186 N 2.25 2.10 -0.30 4.97 6.14 0.13 0.67 117.35 133.31 2jtc s TYR 186 Ca 0.33 -0.56 -0.14 0.00 0.64 0.00 0.00 57.07 57.34 2jtc s TYR 186 Cb -0.16 -1.12 0.14 0.00 0.42 0.00 0.00 41.96 41.24 2jtc s TYR 186 CO 0.10 0.45 0.87 1.14 0.64 0.00 0.00 175.55 178.75 2jtc s GLN 187 N -3.65 0.43 -0.21 4.97 -2.07 -1.03 -1.09 119.66 117.02 2jtc s GLN 187 Ca 0.29 0.95 -0.17 0.00 -1.82 0.00 0.00 55.36 54.62 2jtc s GLN 187 Cb 0.01 0.42 -0.04 0.00 -1.09 0.00 0.00 33.01 32.32 2jtc s GLN 187 CO 0.13 -0.13 0.45 0.20 -1.32 0.00 0.00 175.29 174.63 2jtc s GLY 188 N 2.20 2.06 0.55 2.60 0.00 -0.73 -2.67 107.32 111.32 2jtc s GLY 188 Ca -0.06 -0.49 -0.11 0.00 0.00 0.00 0.00 44.72 44.06 2jtc s GLY 188 CO -0.18 0.96 0.95 0.14 0.00 0.00 0.00 173.10 174.97 2jtc s VAL 189 N 1.54 4.72 0.00 1.40 1.01 0.70 -0.36 120.40 129.41 2jtc s VAL 189 Ca 0.21 0.79 0.00 0.00 0.00 0.00 0.00 61.98 62.98 2jtc s VAL 189 Cb -0.15 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.40 2jtc s VAL 189 CO 0.09 -0.94 0.00 0.61 0.00 0.00 0.00 175.10 174.86 2jtc n GLY 190 N -2.28 3.35 0.12 4.51 0.00 -0.73 -3.08 105.19 107.08 2jtc n GLY 190 Ca 0.05 -0.09 -0.17 0.00 0.00 0.00 0.00 46.02 45.81 2jtc n GLY 190 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2jtc h LYS 191 N 0.00 0.21 -0.00 1.61 2.10 -1.85 -3.34 116.57 115.29 2jtc h LYS 191 Ca 0.00 -0.36 0.00 0.00 -2.00 0.00 0.00 60.65 58.29 2jtc h LYS 191 Cb 0.00 0.13 0.00 0.00 -0.90 0.00 0.00 32.23 31.46 2jtc h LYS 191 CO 0.00 1.02 -0.02 1.33 -2.00 0.00 0.00 179.45 179.78 2jtc n VAL 192 N -3.38 0.00 0.00 0.07 0.24 -1.26 -5.02 118.33 108.98 2jtc n VAL 192 Ca -0.23 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.07 2jtc n VAL 192 Cb 1.05 -0.45 0.00 0.00 -1.47 0.00 0.00 33.84 32.97 2jtc n VAL 192 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jtc n GLY 193 N 1.34 0.65 3.59 7.63 0.00 -1.26 -4.53 105.19 112.61 2jtc n GLY 193 Ca 0.12 -2.19 -0.42 0.00 0.00 0.00 0.00 46.02 43.53 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 1.63 0.43 -0.02 0.00 -1.02 -1.77 107.32 106.58 2jtc s GLY 194 Ca 0.00 -0.60 -0.24 0.00 0.00 0.00 0.00 44.72 43.88 2jtc s GLY 194 CO 0.00 1.83 1.16 -1.58 0.00 0.00 0.00 173.10 174.51 2jtc s HIS 195 N 3.21 2.97 0.17 1.90 2.46 0.51 -4.56 115.29 121.96 2jtc s HIS 195 Ca 0.33 1.55 0.09 0.00 0.47 0.00 0.00 55.06 57.50 2jtc s HIS 195 Cb -0.13 -3.37 -0.04 0.00 -0.13 0.00 0.00 32.58 28.91 2jtc s HIS 195 CO 0.17 -1.39 -0.20 0.00 -2.47 0.00 0.00 174.74 170.86 2jtc s ALA 196 N -1.50 2.15 0.13 1.58 0.00 -1.26 -1.78 121.76 121.09 2jtc s ALA 196 Ca 0.61 -1.52 -0.25 0.00 0.00 0.00 0.00 51.96 50.80 2jtc s ALA 196 Cb -0.29 -0.23 0.07 0.00 0.00 0.00 0.00 23.12 22.67 2jtc s ALA 196 CO 0.36 0.30 0.77 -0.59 0.00 0.00 0.00 175.76 176.60 2jtc s PHE 197 N -1.90 -0.34 -0.08 0.00 -0.12 -0.25 -3.20 117.98 112.09 2jtc s PHE 197 Ca 0.17 0.10 0.01 0.00 -0.05 0.00 0.00 56.93 57.16 2jtc s PHE 197 Cb -0.07 0.59 -0.03 0.00 -0.63 0.00 0.00 43.02 42.89 2jtc s PHE 197 CO 0.07 -0.82 -0.11 0.08 -0.05 0.00 0.00 175.22 174.40 2jtc s VAL 198 N -3.50 3.34 -0.25 -2.49 1.01 -0.71 0.18 120.40 117.98 2jtc s VAL 198 Ca 0.06 -0.60 -0.09 0.00 0.00 0.00 0.00 61.98 61.35 2jtc s VAL 198 Cb -0.02 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 2jtc s VAL 198 CO -0.06 0.58 0.11 -0.63 0.00 0.00 0.00 175.10 175.10 2jtc s ILE 199 N -0.49 4.71 -0.05 2.22 1.01 0.20 0.55 121.20 129.35 2jtc s ILE 199 Ca 0.07 -0.04 0.08 0.00 0.00 0.00 0.00 60.65 60.76 2jtc s ILE 199 Cb -0.12 -3.21 0.12 0.00 0.01 0.00 0.00 42.46 39.26 2jtc s ILE 199 CO 0.02 0.32 1.00 -0.90 0.00 0.00 0.00 174.94 175.38 2jtc n ASP 200 N 4.83 1.52 -3.62 3.58 5.68 -0.82 0.13 116.55 127.84 2jtc n ASP 200 Ca -0.15 -2.34 -0.07 0.00 -0.50 0.00 0.00 54.79 51.73 2jtc n ASP 200 Cb 0.52 -0.22 -0.01 0.00 -1.14 0.00 0.00 41.12 40.27 2jtc n ASP 200 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 2jtc s GLY 201 N -1.67 0.01 -0.01 6.12 0.00 -1.24 0.44 107.32 110.96 2jtc s GLY 201 Ca 0.14 -0.37 -0.28 0.00 0.00 0.00 0.00 44.72 44.21 2jtc s GLY 201 CO 0.01 -0.05 0.63 0.00 0.00 0.00 0.00 173.10 173.69 2jtc s ALA 202 N -3.42 -1.64 -0.13 3.20 0.00 0.87 -2.10 121.76 118.53 2jtc s ALA 202 Ca 0.12 1.06 0.16 0.00 0.00 0.00 0.00 51.96 53.30 2jtc s ALA 202 Cb -0.05 0.18 0.40 0.00 0.00 0.00 0.00 23.12 23.65 2jtc s ALA 202 CO 0.07 -0.44 1.19 -3.47 0.00 0.00 0.00 175.76 173.11 2jtc n ASP 203 N 0.67 1.47 -0.75 0.00 -0.08 0.43 0.26 116.55 118.54 2jtc n ASP 203 Ca -0.19 -3.18 -0.09 0.00 -1.51 0.00 0.00 54.79 49.82 2jtc n ASP 203 Cb 0.59 -0.44 -0.04 0.00 2.34 0.00 0.00 41.12 43.57 2jtc n ASP 203 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2jtc n GLY 204 N -0.60 0.90 2.71 0.27 0.00 0.28 -4.76 105.19 103.99 2jtc n GLY 204 Ca 0.14 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.61 1.29 -1.42 1.61 1.74 -1.26 -4.53 116.66 113.49 2jtc n ARG 205 Ca -0.09 -3.12 -0.15 0.00 -0.77 0.00 0.00 57.85 53.72 2jtc n ARG 205 Cb 0.56 -1.17 -0.06 0.00 -1.02 0.00 0.00 32.46 30.77 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 -0.29 -3.87 -4.29 0.55 3.02 -1.26 -4.87 115.26 104.25 2jtc n ASN 206 Ca 0.07 0.36 -0.45 0.00 -0.03 0.00 0.00 54.58 54.52 2jtc n ASN 206 Cb 0.82 -3.55 -0.04 0.00 -0.61 0.00 0.00 39.78 36.40 2jtc n ASN 206 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2jtc s PHE 207 N -2.23 3.61 0.17 3.10 0.40 -1.26 -4.92 117.98 116.86 2jtc s PHE 207 Ca 0.00 -1.97 0.04 0.00 -0.60 0.00 0.00 56.93 54.41 2jtc s PHE 207 Cb 0.00 -3.72 -0.04 0.00 0.51 0.00 0.00 43.02 39.78 2jtc s PHE 207 CO 0.00 -0.98 0.22 0.71 0.70 0.00 0.00 175.22 175.88 2jtc s TYR 208 N 0.44 3.31 0.03 0.36 1.51 -1.26 -0.43 117.35 121.31 2jtc s TYR 208 Ca 0.15 0.03 -0.18 0.00 -1.01 0.00 0.00 57.07 56.06 2jtc s TYR 208 Cb -0.16 -1.57 -0.06 0.00 -0.11 0.00 0.00 41.96 40.06 2jtc s TYR 208 CO -0.06 0.51 0.50 -1.58 -1.11 0.00 0.00 175.55 173.82 2jtc s HIS 209 N -1.81 3.76 -0.01 2.71 5.65 -0.89 -1.51 115.29 123.18 2jtc s HIS 209 Ca 0.33 1.14 0.03 0.00 0.25 0.00 0.00 55.06 56.82 2jtc s HIS 209 Cb -0.10 -2.42 -0.01 0.00 -1.18 0.00 0.00 32.58 28.87 2jtc s HIS 209 CO 0.26 0.58 -0.11 0.08 -0.65 0.00 0.00 174.74 174.89 2jtc s VAL 210 N -0.96 0.91 -0.74 0.89 1.01 -0.57 -1.95 120.40 118.99 2jtc s VAL 210 Ca 0.27 -0.49 -0.00 0.00 0.00 0.00 0.00 61.98 61.76 2jtc s VAL 210 Cb -0.18 -0.77 0.18 0.00 0.00 0.00 0.00 36.38 35.62 2jtc s VAL 210 CO 0.16 0.26 0.57 0.21 0.00 0.00 0.00 175.10 176.30 2jtc s ASN 211 N -0.23 5.36 0.70 3.32 3.84 0.19 0.21 114.94 128.33 2jtc s ASN 211 Ca 0.04 -3.44 -0.03 0.00 0.21 0.00 0.00 52.86 49.64 2jtc s ASN 211 Cb -0.05 -1.81 0.04 0.00 -0.55 0.00 0.00 41.25 38.88 2jtc s ASN 211 CO -0.00 -0.22 0.10 0.79 -2.79 0.00 0.00 177.10 174.98 2jtc n TRP 212 N 2.66 -1.51 0.50 0.43 7.02 -1.26 -1.73 117.44 123.54 2jtc n TRP 212 Ca 0.16 -0.04 0.06 0.00 -1.02 0.00 0.00 57.50 56.65 2jtc n TRP 212 Cb 0.36 -0.24 0.28 0.00 -2.42 0.00 0.00 31.31 29.29 2jtc n TRP 212 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2jtc n GLY 213 N -0.44 -0.80 3.84 6.99 0.00 -1.19 -4.68 105.19 108.91 2jtc n GLY 213 Ca 0.02 -0.05 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 2jtc n GLY 213 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2jtc s TRP 214 N -2.78 2.72 0.00 1.61 0.52 -1.26 -4.20 118.94 115.55 2jtc s TRP 214 Ca 0.09 -0.47 0.00 0.00 0.02 0.00 0.00 56.10 55.73 2jtc s TRP 214 Cb 0.08 -2.05 0.00 0.00 -1.15 0.00 0.00 33.47 30.35 2jtc s TRP 214 CO 0.20 0.00 0.56 0.41 0.02 0.00 0.00 176.95 178.14 2jtc n GLY 215 N -1.44 0.07 0.00 0.98 0.00 -1.24 -4.71 105.19 98.85 2jtc n GLY 215 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.15 -0.16 0.00 -0.02 0.00 -1.26 -4.95 105.19 98.66 2jtc n GLY 216 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2jtc n GLY 216 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2jtc n VAL 217 N -0.14 0.00 -0.28 1.61 3.14 -1.26 -4.89 118.33 116.51 2jtc n VAL 217 Ca 0.00 0.00 -0.06 0.00 -2.96 0.00 0.00 64.34 61.32 2jtc n VAL 217 Cb 0.27 -0.01 -0.02 0.00 -1.06 0.00 0.00 33.84 33.02 2jtc n VAL 217 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2jtc n SER 218 N 0.00 1.72 -4.42 6.55 7.64 -1.26 -4.77 113.62 119.07 2jtc n SER 218 Ca 0.00 -1.94 -0.44 0.00 1.01 0.00 0.00 58.87 57.50 2jtc n SER 218 Cb 0.00 -0.55 -0.03 0.00 -1.01 0.00 0.00 64.21 62.61 2jtc n SER 218 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2jtc s ASP 219 N 3.52 6.41 0.00 6.43 1.01 -1.26 -4.29 116.67 128.49 2jtc s ASP 219 Ca 0.17 -1.67 0.00 0.00 0.71 0.00 0.00 52.55 51.76 2jtc s ASP 219 Cb 0.06 -2.36 0.00 0.00 1.01 0.00 0.00 42.92 41.63 2jtc s ASP 219 CO -0.01 -1.14 0.00 0.61 0.21 0.00 0.00 175.17 174.85 2jtc n GLY 220 N 5.27 1.08 3.60 0.21 0.00 0.56 -4.75 105.19 111.15 2jtc n GLY 220 Ca 0.07 0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 2jtc n GLY 220 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2jtc s PHE 221 N 0.00 1.15 -0.01 1.61 -0.71 -1.26 -1.51 117.98 117.24 2jtc s PHE 221 Ca 0.00 0.63 -0.36 0.00 -1.04 0.00 0.00 56.93 56.16 2jtc s PHE 221 Cb 0.00 -3.89 -0.15 0.00 -1.21 0.00 0.00 43.02 37.77 2jtc s PHE 221 CO 0.00 -3.96 1.59 1.97 -1.34 0.00 0.00 175.22 173.48 2jtc n PHE 222 N 12.11 1.98 -3.92 3.49 1.16 -0.57 -4.68 117.46 127.03 2jtc n PHE 222 Ca 0.31 0.40 -0.28 0.00 -1.87 0.00 0.00 57.45 56.01 2jtc n PHE 222 Cb 0.46 -2.48 -0.17 0.00 -1.61 0.00 0.00 39.48 35.68 2jtc n PHE 222 CO 0.00 0.00 0.00 1.03 -1.87 0.00 0.00 176.76 175.92 2jtc s ARG 223 N 1.96 1.63 0.00 3.97 1.81 -1.26 -4.84 118.95 122.22 2jtc s ARG 223 Ca 0.88 -0.37 0.00 0.00 -1.72 0.00 0.00 55.73 54.52 2jtc s ARG 223 Cb -0.86 -1.77 0.00 0.00 -0.45 0.00 0.00 34.95 31.87 2jtc s ARG 223 CO 0.50 -0.30 0.18 1.47 -0.68 0.00 0.00 175.30 176.46 2jtc n LEU 224 N 4.90 0.35 -0.01 2.53 -0.00 -1.26 -4.69 117.00 118.82 2jtc n LEU 224 Ca -0.13 -0.64 0.01 0.00 -0.00 0.00 0.00 56.01 55.25 2jtc n LEU 224 Cb 0.49 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.86 2jtc n LEU 224 CO 0.17 0.09 -0.62 0.47 -0.00 0.00 0.00 177.39 177.50 2jtc n ASP 225 N -0.58 3.51 -3.87 1.45 8.00 -1.26 -4.83 116.55 118.96 2jtc n ASP 225 Ca 0.00 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.20 2jtc n ASP 225 Cb 0.01 1.07 -0.14 0.00 -0.02 0.00 0.00 41.12 42.04 2jtc n ASP 225 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jtc s ALA 226 N -2.35 3.00 -0.82 2.24 0.00 -1.26 -4.97 121.76 117.60 2jtc s ALA 226 Ca -0.03 -3.12 -0.04 0.00 0.00 0.00 0.00 51.96 48.77 2jtc s ALA 226 Cb 0.03 -2.08 0.10 0.00 0.00 0.00 0.00 23.12 21.18 2jtc s ALA 226 CO 0.26 -2.04 2.56 -0.11 0.00 0.00 0.00 175.76 176.44 2jtc n LEU 227 N 3.13 7.14 -4.59 0.00 -0.00 -1.26 -4.88 117.00 116.54 2jtc n LEU 227 Ca 0.07 -4.46 -0.25 0.00 -0.00 0.00 0.00 56.01 51.37 2jtc n LEU 227 Cb 0.33 -1.27 -0.09 0.00 -0.00 0.00 0.00 43.42 42.39 2jtc n LEU 227 CO 0.30 1.87 -0.38 0.20 -0.00 0.00 0.00 177.39 179.38 2jtc s ASN 228 N 0.24 4.33 0.35 1.96 0.01 -1.26 -4.79 114.94 115.76 2jtc s ASN 228 Ca 0.56 -0.63 -0.26 0.00 -0.71 0.00 0.00 52.86 51.82 2jtc s ASN 228 Cb 0.30 -0.74 -0.09 0.00 0.41 0.00 0.00 41.25 41.12 2jtc s ASN 228 CO -0.18 0.06 1.01 -2.16 -1.51 0.00 0.00 177.10 174.32 2jtc s PRO 229 N -3.18 4.42 -0.15 -0.60 0.04 -1.26 -4.99 135.00 129.27 2jtc s PRO 229 Ca 0.28 1.47 -0.15 0.00 0.04 0.00 0.00 61.00 62.64 2jtc s PRO 229 Cb -0.08 -2.75 -0.24 0.00 0.04 0.00 0.00 34.50 31.47 2jtc s PRO 229 CO 0.17 0.10 0.35 0.66 0.04 0.00 0.00 177.00 178.32 2jtc h SER 230 N 3.00 0.24 -3.49 6.66 4.64 -1.99 -3.44 113.55 119.18 2jtc h SER 230 Ca -0.47 -0.76 -0.72 0.00 -0.47 0.00 0.00 61.79 59.37 2jtc h SER 230 Cb 1.20 -0.08 -0.21 0.00 -0.31 0.00 0.00 62.40 63.00 2jtc h SER 230 CO 0.64 1.66 -0.43 0.00 -0.87 0.00 0.00 176.83 177.83 2jtc s ALA 231 N -2.46 3.48 -0.06 5.18 0.00 -1.26 -4.95 121.76 121.69 2jtc s ALA 231 Ca -0.24 -1.76 -0.04 0.00 0.00 0.00 0.00 51.96 49.92 2jtc s ALA 231 Cb 0.06 -2.89 -0.01 0.00 0.00 0.00 0.00 23.12 20.27 2jtc s ALA 231 CO 0.70 -1.48 -0.09 1.28 0.00 0.00 0.00 175.76 176.17 2jtc n LEU 232 N 5.15 0.74 0.00 0.00 4.32 -1.26 -4.65 117.00 121.30 2jtc n LEU 232 Ca -0.11 0.35 0.00 0.00 -0.02 0.00 0.00 56.01 56.23 2jtc n LEU 232 Cb 0.47 -0.64 0.00 0.00 -1.62 0.00 0.00 43.42 41.63 2jtc n LEU 232 CO 0.41 -0.47 0.00 0.61 -1.22 0.00 0.00 177.39 176.72 2jtc n GLY 233 N 1.65 -0.42 0.07 -0.72 0.00 -1.26 -1.86 105.19 102.66 2jtc n GLY 233 Ca -0.03 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.65 2jtc n GLY 233 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jtc n THR 234 N 0.00 0.00 -0.62 2.61 -2.24 -1.26 -4.64 114.28 108.13 2jtc n THR 234 Ca 0.00 0.39 -0.08 0.00 -2.27 0.00 0.00 64.05 62.08 2jtc n THR 234 Cb 0.00 -1.38 0.22 0.00 -2.10 0.00 0.00 70.33 67.07 2jtc n THR 234 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jtc n GLY 235 N 1.82 3.39 0.02 3.38 0.00 -1.26 -4.45 105.19 108.08 2jtc n GLY 235 Ca 0.00 -0.79 -0.02 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.23 -0.57 3.11 -0.02 0.00 -1.24 -3.86 105.19 102.39 2jtc n GLY 236 Ca 0.36 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 46.23 2jtc n GLY 236 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jtc s GLY 237 N -3.23 0.25 0.00 -0.02 0.00 -0.78 -4.84 107.32 98.70 2jtc s GLY 237 Ca -0.06 -0.75 0.00 0.00 0.00 0.00 0.00 44.72 43.91 2jtc s GLY 237 CO 0.09 -0.88 0.00 0.00 0.00 0.00 0.00 173.10 172.30 2jtc n ALA 238 N 0.51 2.00 0.00 3.20 0.00 -1.26 -4.53 120.51 120.42 2jtc n ALA 238 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2jtc n ALA 238 Cb 0.60 0.38 0.00 0.00 0.00 0.00 0.00 19.45 20.43 2jtc n ALA 238 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jtc n GLY 239 N 3.25 -0.78 0.00 0.00 0.00 -1.26 -5.12 105.19 101.28 2jtc n GLY 239 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 0.10 0.74 -0.02 0.00 -1.26 -4.76 105.19 99.99 2jtc n GLY 240 Ca 0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.90 -3.10 1.61 1.16 -1.26 -4.56 117.46 109.41 2jtc n PHE 241 Ca 0.00 -0.11 -0.39 0.00 -1.87 0.00 0.00 57.45 55.08 2jtc n PHE 241 Cb 0.00 -0.31 -0.01 0.00 -1.61 0.00 0.00 39.48 37.55 2jtc n PHE 241 CO 0.00 0.00 0.00 -1.71 -1.87 0.00 0.00 176.76 173.18 2jtc n ASN 242 N -2.58 5.84 -0.03 5.98 4.05 -1.25 -3.60 115.26 123.67 2jtc n ASN 242 Ca 0.03 -3.43 -0.15 0.00 0.45 0.00 0.00 54.58 51.48 2jtc n ASN 242 Cb 0.11 -1.13 -0.09 0.00 1.23 0.00 0.00 39.78 39.89 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 5.14 0.35 -2.65 8.20 0.00 -1.86 -3.47 103.07 108.78 2jtc h GLY 243 Ca 0.20 -0.48 -0.28 0.00 0.00 0.00 0.00 47.33 46.78 2jtc h GLY 243 CO 1.22 0.42 -0.65 -0.19 0.00 0.00 0.00 176.54 177.35 2jtc s TYR 244 N -3.67 1.21 -0.24 5.60 2.02 -1.26 -5.03 117.35 115.98 2jtc s TYR 244 Ca -0.14 -1.12 -0.15 0.00 -0.37 0.00 0.00 57.07 55.28 2jtc s TYR 244 Cb 0.03 -0.68 0.07 0.00 -0.40 0.00 0.00 41.96 40.98 2jtc s TYR 244 CO 0.77 -0.33 0.59 -1.14 -1.57 0.00 0.00 175.55 173.87 2jtc s GLN 245 N -3.98 0.62 0.19 -0.62 0.74 -1.26 -0.22 119.66 115.13 2jtc s GLN 245 Ca 0.28 1.02 -0.10 0.00 0.05 0.00 0.00 55.36 56.61 2jtc s GLN 245 Cb 0.07 0.15 -0.01 0.00 1.10 0.00 0.00 33.01 34.32 2jtc s GLN 245 CO 0.06 -0.14 0.34 -1.54 -0.55 0.00 0.00 175.29 173.47 2jtc s SER 246 N 1.26 -0.01 0.02 6.67 1.04 -1.09 -0.95 113.70 120.64 2jtc s SER 246 Ca -0.07 -0.89 -0.01 0.00 0.48 0.00 0.00 55.95 55.46 2jtc s SER 246 Cb -0.06 0.48 -0.02 0.00 0.10 0.00 0.00 66.02 66.52 2jtc s SER 246 CO -0.13 -0.97 -0.01 0.00 0.98 0.00 0.00 173.24 173.12 2jtc s ALA 247 N -3.99 0.14 -0.25 5.32 0.00 -0.66 -2.47 121.76 119.85 2jtc s ALA 247 Ca 0.19 -0.65 -0.06 0.00 0.00 0.00 0.00 51.96 51.44 2jtc s ALA 247 Cb 0.02 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 23.30 2jtc s ALA 247 CO 0.03 -0.21 0.02 0.08 0.00 0.00 0.00 175.76 175.68 2jtc s VAL 248 N -1.94 3.83 0.03 0.00 1.01 0.21 -0.47 120.40 123.06 2jtc s VAL 248 Ca -0.11 -0.42 0.06 0.00 0.00 0.00 0.00 61.98 61.51 2jtc s VAL 248 Cb -0.06 -2.81 -0.02 0.00 0.00 0.00 0.00 36.38 33.49 2jtc s VAL 248 CO -0.03 0.32 -0.17 0.68 0.00 0.00 0.00 175.10 175.90 2jtc s VAL 249 N 1.53 1.39 0.00 2.92 -7.23 -1.12 -1.22 120.40 116.68 2jtc s VAL 249 Ca 0.05 -1.01 0.00 0.00 -1.81 0.00 0.00 61.98 59.21 2jtc s VAL 249 Cb -0.15 -1.21 0.00 0.00 0.56 0.00 0.00 36.38 35.57 2jtc s VAL 249 CO 0.00 0.18 0.00 0.61 -0.31 0.00 0.00 175.10 175.58 2jtc n GLY 250 N 2.06 0.73 3.29 2.32 0.00 -1.25 -2.80 105.19 109.53 2jtc n GLY 250 Ca -0.17 -0.43 -0.43 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.15 5.58 -0.06 -0.61 1.01 -1.26 -1.37 121.20 122.34 2jtc s ILE 251 Ca 0.00 -3.40 -0.26 0.00 0.00 0.00 0.00 60.65 57.00 2jtc s ILE 251 Cb 0.00 -4.38 0.06 0.00 0.01 0.00 0.00 42.46 38.15 2jtc s ILE 251 CO 0.00 -1.14 0.57 -1.59 0.00 0.00 0.00 174.94 172.78 2jtc s LYS 252 N -1.09 0.92 0.00 2.79 -2.85 -1.26 -4.88 119.74 113.36 2jtc s LYS 252 Ca 0.28 0.20 0.26 0.00 -1.00 0.00 0.00 55.97 55.72 2jtc s LYS 252 Cb -0.10 0.43 1.56 0.00 -2.06 0.00 0.00 37.83 37.66 2jtc s LYS 252 CO -0.09 -0.26 1.91 -0.35 0.10 0.00 0.00 175.35 176.66