#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 3.66 0.02 3.69 0.04 -1.26 -4.52 135.00 136.62 2jtc s PRO 2 Ca 0.00 1.12 -0.15 0.00 0.04 0.00 0.00 61.00 62.02 2jtc s PRO 2 Cb 0.00 -2.09 -0.06 0.00 0.04 0.00 0.00 34.50 32.40 2jtc s PRO 2 CO 0.00 -0.52 0.42 0.08 0.04 0.00 0.00 177.00 177.02 2jtc s VAL 3 N -2.45 5.01 -0.03 -0.36 1.01 -1.26 -3.98 120.40 118.34 2jtc s VAL 3 Ca 0.62 0.83 -0.01 0.00 0.00 0.00 0.00 61.98 63.42 2jtc s VAL 3 Cb -0.13 -3.72 0.03 0.00 0.00 0.00 0.00 36.38 32.56 2jtc s VAL 3 CO 0.31 0.54 0.05 -0.69 0.00 0.00 0.00 175.10 175.32 2jtc s VAL 4 N -1.12 -0.06 0.79 2.92 1.01 0.11 -4.84 120.40 119.21 2jtc s VAL 4 Ca 0.25 0.22 -0.13 0.00 0.00 0.00 0.00 61.98 62.32 2jtc s VAL 4 Cb -0.17 -0.11 0.19 0.00 0.00 0.00 0.00 36.38 36.29 2jtc s VAL 4 CO 0.14 0.09 0.90 0.29 0.00 0.00 0.00 175.10 176.53 2jtc n LYS 5 N 4.23 -1.62 -2.45 2.72 4.76 -1.26 0.22 118.16 124.75 2jtc n LYS 5 Ca -0.27 -1.41 -0.41 0.00 -2.87 0.00 0.00 58.31 53.34 2jtc n LYS 5 Cb 0.50 -1.09 -0.03 0.00 -1.84 0.00 0.00 35.03 32.58 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 -4.20 6.12 0.10 4.39 0.01 -1.19 -3.33 113.70 115.61 2jtc s SER 6 Ca 0.54 0.00 -0.24 0.00 1.31 0.00 0.00 55.95 57.56 2jtc s SER 6 Cb -0.03 -2.55 -0.11 0.00 0.21 0.00 0.00 66.02 63.54 2jtc s SER 6 CO 0.39 -1.77 1.70 -0.07 0.41 0.00 0.00 173.24 173.90 2jtc h LEU 7 N 13.14 -0.28 -1.07 2.44 3.38 0.30 0.14 115.31 133.36 2jtc h LEU 7 Ca -0.27 0.04 0.10 0.00 0.09 0.00 0.00 57.88 57.84 2jtc h LEU 7 Cb 1.08 0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.86 2jtc h LEU 7 CO 1.22 -0.15 0.62 -0.07 0.09 0.00 0.00 178.44 180.15 2jtc h LEU 8 N -0.20 0.91 -0.72 1.67 3.38 -1.90 -0.07 115.31 118.39 2jtc h LEU 8 Ca 0.02 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 2jtc h LEU 8 Cb 0.22 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2jtc h LEU 8 CO -0.07 0.52 -0.18 -0.78 0.09 0.00 0.00 178.44 178.02 2jtc h ASP 9 N 0.99 0.80 0.00 -0.43 1.82 -1.60 0.15 116.42 118.15 2jtc h ASP 9 Ca 0.46 -0.27 0.00 0.00 -0.39 0.00 0.00 57.03 56.83 2jtc h ASP 9 Cb 0.41 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 40.20 2jtc h ASP 9 CO -0.22 0.97 0.06 -1.54 -1.61 0.00 0.00 179.24 176.90 2jtc n SER 10 N -4.13 0.48 -0.08 2.28 3.41 0.41 -0.13 113.62 115.87 2jtc n SER 10 Ca 0.01 0.71 0.08 0.00 -0.26 0.00 0.00 58.87 59.41 2jtc n SER 10 Cb 0.41 -0.75 0.12 0.00 -0.26 0.00 0.00 64.21 63.73 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 -2.17 1.38 -4.31 4.33 5.02 -0.72 -4.96 118.16 116.74 2jtc n LYS 11 Ca -0.01 -2.38 -0.38 0.00 -2.02 0.00 0.00 58.31 53.51 2jtc n LYS 11 Cb 0.09 -1.40 -0.05 0.00 -0.02 0.00 0.00 35.03 33.65 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 -1.27 -0.43 3.57 0.72 0.00 0.82 -4.73 105.19 103.88 2jtc n GLY 12 Ca 0.14 0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.24 4.57 -0.41 -0.61 1.01 -0.04 -3.46 121.20 119.03 2jtc s ILE 13 Ca 0.77 0.76 0.02 0.00 0.00 0.00 0.00 60.65 62.20 2jtc s ILE 13 Cb -0.43 -4.35 0.15 0.00 0.01 0.00 0.00 42.46 37.83 2jtc s ILE 13 CO 0.95 -0.70 0.26 -1.00 0.00 0.00 0.00 174.94 174.45 2jtc s HIS 14 N 3.49 1.39 0.80 3.97 3.76 0.84 -4.70 115.29 124.84 2jtc s HIS 14 Ca 0.35 -2.13 -0.05 0.00 -0.15 0.00 0.00 55.06 53.07 2jtc s HIS 14 Cb -0.11 -1.35 0.15 0.00 1.11 0.00 0.00 32.58 32.38 2jtc s HIS 14 CO 0.23 -0.80 1.10 0.71 -0.85 0.00 0.00 174.74 175.13 2jtc s TYR 15 N 0.48 1.52 0.00 1.40 2.02 -1.25 -3.88 117.35 117.64 2jtc s TYR 15 Ca 0.21 -0.12 0.00 0.00 -0.37 0.00 0.00 57.07 56.79 2jtc s TYR 15 Cb -0.17 -3.34 0.00 0.00 -0.40 0.00 0.00 41.96 38.04 2jtc s TYR 15 CO -0.04 -2.03 0.00 -1.71 -1.57 0.00 0.00 175.55 170.19 2jtc n ASN 16 N -3.14 0.00 0.00 2.29 4.05 -1.26 -4.96 115.26 112.24 2jtc n ASN 16 Ca 0.15 -0.38 0.00 0.00 0.45 0.00 0.00 54.58 54.81 2jtc n ASN 16 Cb 0.60 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.61 2jtc n ASN 16 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2jtc n GLN 17 N 0.00 1.65 -0.03 1.20 6.02 -1.26 -4.71 117.38 120.25 2jtc n GLN 17 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.95 2jtc n GLN 17 Cb 0.00 -0.87 -0.03 0.00 1.02 0.00 0.00 30.24 30.35 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 1.92 -0.15 0.00 1.08 0.00 -1.26 -0.46 105.19 106.33 2jtc n GLY 18 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.50 0.00 0.00 1.61 4.05 -1.26 -3.48 115.26 113.68 2jtc n ASN 19 Ca -0.10 0.00 0.08 0.00 0.45 0.00 0.00 54.58 55.01 2jtc n ASN 19 Cb 0.63 0.00 0.47 0.00 1.23 0.00 0.00 39.78 42.12 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 0.69 0.08 1.20 -0.04 -1.26 -2.60 135.00 133.07 2jtc n PRO 20 Ca 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.38 2jtc n PRO 20 Cb 0.00 -1.36 -0.07 0.00 -0.04 0.00 0.00 33.50 32.04 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 0.16 -0.40 0.54 -1.99 -1.88 -3.10 116.97 110.30 2jtc h TYR 21 Ca 0.00 -0.10 0.00 0.00 2.00 0.00 0.00 58.73 60.63 2jtc h TYR 21 Cb 0.00 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 38.72 2jtc h TYR 21 CO 0.00 1.00 0.00 0.27 -0.00 0.00 0.00 178.16 179.43 2jtc n ASN 22 N -3.50 3.32 0.00 3.88 6.94 -1.07 -4.18 115.26 120.65 2jtc n ASN 22 Ca -0.02 -2.33 0.08 0.00 -0.02 0.00 0.00 54.58 52.28 2jtc n ASN 22 Cb 0.89 -0.49 0.43 0.00 -2.36 0.00 0.00 39.78 38.25 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 -1.17 -2.77 117.00 113.88 2jtc n LEU 23 Ca 0.17 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 2jtc n LEU 23 Cb 0.65 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 2jtc n LEU 23 CO 0.16 -0.09 0.05 0.18 -1.33 0.00 0.00 177.39 176.36 2jtc n LEU 24 N -1.19 0.20 -4.58 2.23 4.77 -1.26 -5.00 117.00 112.17 2jtc n LEU 24 Ca 0.09 -0.37 -0.29 0.00 -0.03 0.00 0.00 56.01 55.41 2jtc n LEU 24 Cb 0.10 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.40 2jtc n LEU 24 CO 0.11 0.05 0.59 0.42 -1.33 0.00 0.00 177.39 177.23 2jtc s THR 25 N -0.34 2.10 0.45 -5.08 -4.23 -1.12 -4.85 115.64 102.56 2jtc s THR 25 Ca 0.00 0.03 -0.24 0.00 -1.18 0.00 0.00 61.69 60.31 2jtc s THR 25 Cb 0.00 -2.11 -0.08 0.00 1.34 0.00 0.00 72.50 71.65 2jtc s THR 25 CO 0.00 -0.04 1.18 -2.16 -0.54 0.00 0.00 174.62 173.06 2jtc s PRO 26 N -4.57 3.80 0.26 3.99 0.04 -1.26 -4.58 135.00 132.68 2jtc s PRO 26 Ca 0.67 1.84 -0.17 0.00 0.04 0.00 0.00 61.00 63.38 2jtc s PRO 26 Cb -0.24 -2.48 -0.08 0.00 0.04 0.00 0.00 34.50 31.74 2jtc s PRO 26 CO 0.61 -0.53 0.71 0.08 0.04 0.00 0.00 177.00 177.91 2jtc s VAL 27 N -1.49 4.65 0.45 -0.36 1.01 -1.26 -0.08 120.40 123.33 2jtc s VAL 27 Ca 0.62 1.07 -0.21 0.00 0.00 0.00 0.00 61.98 63.46 2jtc s VAL 27 Cb -0.30 -3.73 -0.10 0.00 0.00 0.00 0.00 36.38 32.25 2jtc s VAL 27 CO 0.37 0.02 0.99 -0.63 0.00 0.00 0.00 175.10 175.85 2jtc s ILE 28 N -1.74 4.14 0.00 2.22 1.01 0.12 -4.84 121.20 122.11 2jtc s ILE 28 Ca 0.48 1.36 0.00 0.00 0.00 0.00 0.00 60.65 62.49 2jtc s ILE 28 Cb -0.13 -3.56 0.00 0.00 0.01 0.00 0.00 42.46 38.77 2jtc s ILE 28 CO 0.19 -0.26 0.00 -0.62 0.00 0.00 0.00 174.94 174.25 2jtc n GLU 29 N -0.70 1.90 -4.57 2.79 1.02 0.86 0.05 120.64 121.99 2jtc n GLU 29 Ca 0.08 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.95 2jtc n GLU 29 Cb 0.53 -0.85 -0.11 0.00 -0.02 0.00 0.00 31.44 31.00 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 -1.42 1.86 0.05 3.49 1.02 0.70 -4.78 119.74 120.66 2jtc s LYS 30 Ca 0.00 -2.02 0.06 0.00 0.02 0.00 0.00 55.97 54.04 2jtc s LYS 30 Cb 0.00 -1.54 -0.03 0.00 -0.52 0.00 0.00 37.83 35.73 2jtc s LYS 30 CO 0.00 -0.00 -0.14 0.08 -0.92 0.00 0.00 175.35 174.37 2jtc s VAL 31 N -2.76 3.12 0.70 3.17 1.01 -1.19 -4.23 120.40 120.21 2jtc s VAL 31 Ca 0.34 -1.14 -0.11 0.00 0.00 0.00 0.00 61.98 61.07 2jtc s VAL 31 Cb 0.07 -2.37 0.01 0.00 0.00 0.00 0.00 36.38 34.09 2jtc s VAL 31 CO 0.17 0.28 1.06 -0.75 0.00 0.00 0.00 175.10 175.86 2jtc s LYS 32 N -1.67 2.93 -0.16 2.72 2.20 -1.26 -4.81 119.74 119.69 2jtc s LYS 32 Ca 0.17 0.90 -0.28 0.00 -0.36 0.00 0.00 55.97 56.40 2jtc s LYS 32 Cb -0.11 -1.99 -0.01 0.00 -1.51 0.00 0.00 37.83 34.21 2jtc s LYS 32 CO 0.08 -1.09 0.95 -1.25 -0.36 0.00 0.00 175.35 173.68 2jtc s PRO 33 N -5.07 4.33 0.00 4.03 0.04 -1.26 -3.14 135.00 133.93 2jtc s PRO 33 Ca 0.58 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.85 2jtc s PRO 33 Cb -0.14 -3.58 0.00 0.00 0.04 0.00 0.00 34.50 30.82 2jtc s PRO 33 CO 0.55 -0.41 0.00 0.41 0.04 0.00 0.00 177.00 177.59 2jtc n GLY 34 N 3.31 0.73 3.66 0.56 0.00 -1.26 -5.03 105.19 107.16 2jtc n GLY 34 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.17 2.07 0.99 1.61 2.56 -1.19 -5.13 118.70 119.43 2jtc s GLU 35 Ca 0.00 -1.93 -0.17 0.00 0.00 0.00 0.00 54.97 52.87 2jtc s GLU 35 Cb 0.00 -1.82 0.24 0.00 2.00 0.00 0.00 34.13 34.55 2jtc s GLU 35 CO 0.00 -0.02 0.87 1.04 -0.56 0.00 0.00 175.26 176.59 2jtc n GLN 36 N -1.05 -2.74 -3.09 4.30 6.02 -1.26 -4.72 117.38 114.84 2jtc n GLN 36 Ca -0.03 -1.40 -0.39 0.00 -0.01 0.00 0.00 57.00 55.17 2jtc n GLN 36 Cb 0.65 -1.31 -0.05 0.00 1.02 0.00 0.00 30.24 30.55 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 -3.85 7.04 -0.04 1.08 0.15 -1.26 -4.36 113.70 112.46 2jtc s SER 37 Ca 0.57 1.25 0.07 0.00 0.70 0.00 0.00 55.95 58.53 2jtc s SER 37 Cb -0.06 -2.41 0.13 0.00 -1.71 0.00 0.00 66.02 61.98 2jtc s SER 37 CO 0.44 0.01 1.09 0.49 1.20 0.00 0.00 173.24 176.46 2jtc n PHE 38 N 3.09 0.10 -1.93 3.44 3.72 -1.26 -5.00 117.46 119.61 2jtc n PHE 38 Ca -0.04 -0.65 -0.40 0.00 -0.05 0.00 0.00 57.45 56.32 2jtc n PHE 38 Cb 0.51 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 38.97 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 -1.57 2.36 0.00 -4.37 1.01 -1.26 -1.31 120.40 115.25 2jtc s VAL 39 Ca 0.13 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.43 2jtc s VAL 39 Cb 0.10 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.29 2jtc s VAL 39 CO 0.03 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.79 2jtc n GLY 40 N 0.62 1.22 3.73 4.51 0.00 0.11 -4.89 105.19 110.49 2jtc n GLY 40 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.03 4.39 -0.35 1.61 -0.21 -0.43 -4.73 119.66 119.92 2jtc s GLN 41 Ca 0.00 0.78 -0.29 0.00 0.02 0.00 0.00 55.36 55.88 2jtc s GLN 41 Cb 0.00 -3.41 -0.00 0.00 1.00 0.00 0.00 33.01 30.60 2jtc s GLN 41 CO 0.00 0.18 1.47 -1.01 -2.12 0.00 0.00 175.29 173.81 2jtc s HIS 42 N 0.43 2.34 0.98 0.91 3.76 -1.26 0.13 115.29 122.58 2jtc s HIS 42 Ca 0.34 0.69 -0.14 0.00 -0.15 0.00 0.00 55.06 55.80 2jtc s HIS 42 Cb -0.18 -4.16 0.04 0.00 1.11 0.00 0.00 32.58 29.39 2jtc s HIS 42 CO 0.17 -2.18 0.30 0.00 -0.85 0.00 0.00 174.74 172.18 2jtc n ALA 43 N 8.72 -2.93 -1.72 -1.40 0.00 0.89 -4.88 120.51 119.18 2jtc n ALA 43 Ca 0.17 -0.71 -0.29 0.00 0.00 0.00 0.00 53.44 52.61 2jtc n ALA 43 Cb 0.47 -1.73 0.12 0.00 0.00 0.00 0.00 19.45 18.31 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 -2.36 2.18 0.06 0.00 0.00 -0.80 -4.63 121.76 116.21 2jtc s ALA 44 Ca 0.56 -0.65 -0.02 0.00 0.00 0.00 0.00 51.96 51.85 2jtc s ALA 44 Cb -0.20 -2.97 -0.27 0.00 0.00 0.00 0.00 23.12 19.68 2jtc s ALA 44 CO 0.68 -2.06 1.09 1.79 0.00 0.00 0.00 175.76 177.25 2jtc h THR 45 N -1.34 1.44 0.00 0.00 1.35 -1.08 -3.42 112.91 109.86 2jtc h THR 45 Ca -0.48 -3.05 0.00 0.00 -0.55 0.00 0.00 66.41 62.33 2jtc h THR 45 Cb 1.32 2.88 0.00 0.00 -1.73 0.00 0.00 68.15 70.62 2jtc h THR 45 CO 0.61 0.88 0.00 0.61 -0.25 0.00 0.00 175.52 177.37 2jtc n GLY 46 N 1.54 2.33 0.22 5.82 0.00 -1.25 -4.34 105.19 109.51 2jtc n GLY 46 Ca -0.09 -1.52 -0.10 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.53 -0.60 1.61 4.64 -1.90 0.36 113.55 117.13 2jtc h SER 47 Ca 0.00 0.08 0.12 0.00 -0.47 0.00 0.00 61.79 61.52 2jtc h SER 47 Cb 0.00 0.23 -0.12 0.00 -0.31 0.00 0.00 62.40 62.20 2jtc h SER 47 CO 0.00 -0.23 -0.23 0.58 -0.87 0.00 0.00 176.83 176.07 2jtc h VAL 48 N -0.27 0.28 0.14 0.95 2.07 -1.81 2.20 116.25 119.82 2jtc h VAL 48 Ca 0.07 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 2jtc h VAL 48 Cb 0.36 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 2jtc h VAL 48 CO -0.20 0.00 -0.07 0.00 0.02 0.00 0.00 177.57 177.32 2jtc h ALA 49 N 1.36 -0.19 -0.08 1.67 0.00 -1.45 -1.14 119.26 119.42 2jtc h ALA 49 Ca 0.27 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 2jtc h ALA 49 Cb 0.51 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2jtc h ALA 49 CO -0.66 -0.57 -0.11 1.15 0.00 0.00 0.00 179.25 179.06 2jtc h THR 50 N -0.27 1.13 -0.41 0.00 2.02 0.16 0.85 112.91 116.39 2jtc h THR 50 Ca -0.02 -0.57 -0.09 0.00 0.77 0.00 0.00 66.41 66.49 2jtc h THR 50 Cb 0.21 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 2jtc h THR 50 CO 0.03 0.17 -0.11 0.00 0.37 0.00 0.00 175.52 175.99 2jtc h ALA 51 N 1.78 0.57 0.08 6.16 0.00 0.40 -2.24 119.26 126.01 2jtc h ALA 51 Ca 0.02 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 2jtc h ALA 51 Cb 0.28 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2jtc h ALA 51 CO 0.02 0.46 -0.04 1.15 0.00 0.00 0.00 179.25 180.83 2jtc h THR 52 N 0.62 1.11 -0.94 0.00 2.02 -0.35 -3.09 112.91 112.28 2jtc h THR 52 Ca 0.10 -1.43 0.22 0.00 0.77 0.00 0.00 66.41 66.07 2jtc h THR 52 Cb 0.64 1.93 -0.07 0.00 -1.74 0.00 0.00 68.15 68.91 2jtc h THR 52 CO 0.04 0.31 0.62 0.00 0.37 0.00 0.00 175.52 176.87 2jtc h ALA 53 N -0.15 2.20 0.32 6.16 0.00 0.65 1.01 119.26 129.45 2jtc h ALA 53 Ca -0.01 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2jtc h ALA 53 Cb 0.60 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2jtc h ALA 53 CO 0.02 -0.52 -0.15 1.96 0.00 0.00 0.00 179.25 180.56 2jtc h GLN 54 N 0.42 -0.41 0.00 0.00 4.20 -1.45 0.59 115.11 118.46 2jtc h GLN 54 Ca 0.50 0.03 -0.00 0.00 0.06 0.00 0.00 58.65 59.24 2jtc h GLN 54 Cb 1.25 0.09 -0.00 0.00 0.30 0.00 0.00 27.48 29.12 2jtc h GLN 54 CO -0.21 -0.15 -0.02 0.82 -0.67 0.00 0.00 178.83 178.61 2jtc h ILE 55 N -0.64 0.46 -0.03 2.54 2.04 -0.89 0.87 117.51 121.85 2jtc h ILE 55 Ca -0.04 -0.09 -0.15 0.00 1.00 0.00 0.00 64.86 65.58 2jtc h ILE 55 Cb 0.46 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 2jtc h ILE 55 CO 0.07 0.02 -0.65 0.24 0.00 0.00 0.00 178.15 177.83 2jtc h MET 56 N 0.00 0.14 -0.04 2.37 2.86 0.22 -2.66 114.93 117.82 2jtc h MET 56 Ca -0.00 -0.11 -0.07 0.00 -2.06 0.00 0.00 59.70 57.47 2jtc h MET 56 Cb 0.06 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.74 2jtc h MET 56 CO 0.00 0.74 -0.24 -0.22 1.06 0.00 0.00 176.91 178.25 2jtc h LYS 57 N 0.10 0.23 -0.70 1.72 1.63 0.60 0.48 116.57 120.63 2jtc h LYS 57 Ca -0.01 -0.20 0.20 0.00 -0.85 0.00 0.00 60.65 59.80 2jtc h LYS 57 Cb 1.16 0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 32.80 2jtc h LYS 57 CO 0.09 0.86 0.51 -0.92 -3.45 0.00 0.00 179.45 176.54 2jtc h TYR 58 N -0.33 0.00 0.00 1.91 5.03 -0.07 -2.27 116.97 121.25 2jtc h TYR 58 Ca -0.02 0.00 -0.10 0.00 2.58 0.00 0.00 58.73 61.19 2jtc h TYR 58 Cb 0.91 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 39.17 2jtc h TYR 58 CO 0.14 0.00 -1.74 0.72 -1.32 0.00 0.00 178.16 175.96 2jtc n HIS 59 N -4.32 0.00 -3.98 -3.82 8.25 -1.02 -5.00 115.22 105.34 2jtc n HIS 59 Ca 0.14 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.25 2jtc n HIS 59 Cb 0.78 -0.46 -0.00 0.00 1.12 0.00 0.00 29.99 31.43 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 -2.20 -2.82 0.00 0.41 3.02 0.17 -4.90 115.26 108.94 2jtc n ASN 60 Ca -0.11 -1.15 0.00 0.00 -0.03 0.00 0.00 54.58 53.29 2jtc n ASN 60 Cb 0.61 -2.45 0.00 0.00 -0.61 0.00 0.00 39.78 37.32 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 -4.59 0.00 -2.09 3.10 9.36 -1.26 -4.73 117.16 116.96 2jtc n TYR 61 Ca -0.18 0.00 -0.41 0.00 3.32 0.00 0.00 57.90 60.63 2jtc n TYR 61 Cb 0.62 -0.20 -0.03 0.00 -0.63 0.00 0.00 39.34 39.11 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 -0.41 3.05 0.51 2.98 0.04 -1.26 -4.78 135.00 135.13 2jtc s PRO 62 Ca 0.00 0.93 0.30 0.00 0.04 0.00 0.00 61.00 62.28 2jtc s PRO 62 Cb 0.00 -4.26 1.12 0.00 0.04 0.00 0.00 34.50 31.41 2jtc s PRO 62 CO 0.00 -2.22 1.90 -0.97 0.04 0.00 0.00 177.00 175.75 2jtc h ASN 63 N 13.40 0.00 -3.92 6.66 -0.73 -1.85 -3.39 115.58 125.75 2jtc h ASN 63 Ca -0.29 0.00 -0.38 0.00 1.87 0.00 0.00 56.30 57.50 2jtc h ASN 63 Cb 1.15 0.00 -0.29 0.00 0.27 0.00 0.00 38.32 39.45 2jtc h ASN 63 CO 1.13 0.04 -0.77 -0.75 -0.37 0.00 0.00 177.43 176.71 2jtc s LYS 64 N -3.59 0.67 0.71 6.67 2.20 -1.26 0.21 119.74 125.35 2jtc s LYS 64 Ca 0.02 -0.26 -0.16 0.00 -0.36 0.00 0.00 55.97 55.21 2jtc s LYS 64 Cb 0.09 -0.65 0.01 0.00 -1.51 0.00 0.00 37.83 35.77 2jtc s LYS 64 CO 0.58 0.14 1.09 0.41 -0.36 0.00 0.00 175.35 177.21 2jtc n GLY 65 N 3.04 -0.12 0.08 5.54 0.00 0.81 -4.84 105.19 109.71 2jtc n GLY 65 Ca -0.15 -0.31 -0.07 0.00 0.00 0.00 0.00 46.02 45.49 2jtc n GLY 65 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jtc n LEU 66 N -1.97 1.87 -4.11 0.99 4.77 -0.95 -4.44 117.00 113.15 2jtc n LEU 66 Ca 0.14 0.49 -0.14 0.00 -0.03 0.00 0.00 56.01 56.46 2jtc n LEU 66 Cb 0.49 -0.81 -0.11 0.00 -2.33 0.00 0.00 43.42 40.66 2jtc n LEU 66 CO 0.48 -0.36 -0.42 -0.75 -1.33 0.00 0.00 177.39 175.01 2jtc s LYS 67 N -2.56 0.67 0.98 3.23 2.20 -1.23 -4.15 119.74 118.88 2jtc s LYS 67 Ca -0.22 -0.90 -0.14 0.00 -0.36 0.00 0.00 55.97 54.35 2jtc s LYS 67 Cb 0.03 -0.47 0.18 0.00 -1.51 0.00 0.00 37.83 36.06 2jtc s LYS 67 CO 0.32 0.09 1.16 -0.51 -0.36 0.00 0.00 175.35 176.05 2jtc s ASP 68 N -1.83 2.92 0.03 1.43 1.01 -1.26 -2.30 116.67 116.67 2jtc s ASP 68 Ca -0.04 0.81 -0.11 0.00 0.71 0.00 0.00 52.55 53.92 2jtc s ASP 68 Cb -0.08 -1.26 0.01 0.00 1.01 0.00 0.00 42.92 42.60 2jtc s ASP 68 CO 0.01 -2.90 0.22 -0.47 0.21 0.00 0.00 175.17 172.24 2jtc s TYR 69 N -3.30 -0.00 -0.05 4.23 6.14 0.62 -4.79 117.35 120.20 2jtc s TYR 69 Ca 0.67 -0.15 -0.27 0.00 0.64 0.00 0.00 57.07 57.96 2jtc s TYR 69 Cb -0.13 0.01 0.06 0.00 0.42 0.00 0.00 41.96 42.32 2jtc s TYR 69 CO 0.54 -0.43 0.59 -0.08 0.64 0.00 0.00 175.55 176.81 2jtc s THR 70 N -2.31 0.01 0.09 4.34 -1.32 -1.26 0.11 115.64 115.30 2jtc s THR 70 Ca -0.07 -0.12 -0.21 0.00 -1.21 0.00 0.00 61.69 60.09 2jtc s THR 70 Cb -0.02 -0.90 0.05 0.00 -1.51 0.00 0.00 72.50 70.12 2jtc s THR 70 CO -0.02 -0.06 0.51 -0.72 -2.21 0.00 0.00 174.62 172.11 2jtc s TYR 71 N -1.18 -0.39 -0.07 9.09 1.13 -0.63 -4.96 117.35 120.34 2jtc s TYR 71 Ca -0.11 0.30 -0.16 0.00 -1.41 0.00 0.00 57.07 55.69 2jtc s TYR 71 Cb -0.01 0.37 -0.05 0.00 -1.10 0.00 0.00 41.96 41.16 2jtc s TYR 71 CO 0.08 -0.70 0.41 0.99 -2.51 0.00 0.00 175.55 173.82 2jtc s THR 72 N -3.03 5.13 0.60 -3.49 2.01 -1.26 -0.64 115.64 114.95 2jtc s THR 72 Ca -0.02 0.82 -0.18 0.00 0.31 0.00 0.00 61.69 62.62 2jtc s THR 72 Cb -0.00 -3.73 -0.06 0.00 0.01 0.00 0.00 72.50 68.72 2jtc s THR 72 CO -0.06 0.46 0.79 -0.11 -0.69 0.00 0.00 174.62 175.01 2jtc n LEU 73 N 2.74 2.58 -4.77 4.42 7.94 0.36 -4.87 117.00 125.40 2jtc n LEU 73 Ca -0.11 0.77 -0.41 0.00 -1.11 0.00 0.00 56.01 55.14 2jtc n LEU 73 Cb 0.52 -1.30 -0.01 0.00 0.53 0.00 0.00 43.42 43.16 2jtc n LEU 73 CO 0.40 -2.35 1.14 -0.55 -1.11 0.00 0.00 177.39 174.92 2jtc s SER 74 N -1.24 6.43 0.00 1.96 0.15 -1.26 -4.80 113.70 114.94 2jtc s SER 74 Ca 0.74 2.94 0.09 0.00 0.70 0.00 0.00 55.95 60.42 2jtc s SER 74 Cb -0.42 -2.65 0.43 0.00 -1.71 0.00 0.00 66.02 61.67 2jtc s SER 74 CO 0.49 -0.82 1.16 -1.20 1.20 0.00 0.00 173.24 174.07 2jtc n SER 75 N 1.13 0.00 -0.21 5.45 7.64 -1.26 -1.15 113.62 125.21 2jtc n SER 75 Ca 0.03 0.19 0.11 0.00 1.01 0.00 0.00 58.87 60.22 2jtc n SER 75 Cb 0.39 -0.30 0.09 0.00 -1.01 0.00 0.00 64.21 63.37 2jtc n SER 75 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2jtc n ASN 76 N -1.30 1.25 -4.61 6.43 4.13 -1.26 -4.87 115.26 115.03 2jtc n ASN 76 Ca 0.04 -1.02 -0.43 0.00 1.68 0.00 0.00 54.58 54.85 2jtc n ASN 76 Cb 0.07 0.52 -0.02 0.00 -1.54 0.00 0.00 39.78 38.81 2jtc n ASN 76 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 2jtc s ASN 77 N -2.73 6.16 -0.03 6.41 3.84 -0.30 -4.84 114.94 123.46 2jtc s ASN 77 Ca 0.15 1.29 0.08 0.00 0.21 0.00 0.00 52.86 54.60 2jtc s ASN 77 Cb 0.18 -2.53 0.29 0.00 -0.55 0.00 0.00 41.25 38.63 2jtc s ASN 77 CO 0.67 -1.50 1.17 -0.81 -2.79 0.00 0.00 177.10 173.84 2jtc n PRO 78 N 8.10 1.95 -0.00 0.43 -0.04 -1.26 -3.92 135.00 140.26 2jtc n PRO 78 Ca 0.20 -1.16 0.08 0.00 -0.04 0.00 0.00 63.50 62.58 2jtc n PRO 78 Cb 0.47 -1.39 -0.10 0.00 -0.04 0.00 0.00 33.50 32.44 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 0.36 0.00 -4.23 0.54 4.01 -1.26 -3.15 117.16 113.43 2jtc n TYR 79 Ca 0.11 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.72 2jtc n TYR 79 Cb 0.36 -0.07 -0.10 0.00 -0.31 0.00 0.00 39.34 39.22 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 -2.60 1.15 0.00 -0.72 0.40 -1.25 0.25 117.98 115.21 2jtc s PHE 80 Ca 0.04 -0.98 0.00 0.00 -0.60 0.00 0.00 56.93 55.39 2jtc s PHE 80 Cb 0.12 -0.65 0.00 0.00 0.51 0.00 0.00 43.02 42.99 2jtc s PHE 80 CO 0.65 -0.18 0.58 0.09 0.70 0.00 0.00 175.22 177.07 2jtc n ASN 81 N -0.20 0.00 0.00 1.36 5.03 -1.26 -4.88 115.26 115.31 2jtc n ASN 81 Ca -0.08 0.58 0.00 0.00 0.87 0.00 0.00 54.58 55.95 2jtc n ASN 81 Cb 0.63 -0.08 0.00 0.00 -1.02 0.00 0.00 39.78 39.30 2jtc n ASN 81 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 2jtc n HIS 82 N -1.11 0.00 -1.01 3.10 8.25 -1.26 -4.95 115.22 118.24 2jtc n HIS 82 Ca 0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.21 2jtc n HIS 82 Cb 0.00 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.05 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 2.63 -3.55 -0.41 -0.04 -1.26 -4.21 135.00 128.16 2jtc n PRO 83 Ca 0.00 -1.56 -0.41 0.00 -0.04 0.00 0.00 63.50 61.49 2jtc n PRO 83 Cb 0.00 -2.42 -0.09 0.00 -0.04 0.00 0.00 33.50 30.95 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 2.21 2.59 -0.20 0.54 2.47 -1.26 -4.96 119.74 121.13 2jtc s LYS 84 Ca 0.58 -1.60 -0.10 0.00 -1.56 0.00 0.00 55.97 53.29 2jtc s LYS 84 Cb 0.19 -3.89 -0.05 0.00 -1.46 0.00 0.00 37.83 32.62 2jtc s LYS 84 CO -0.03 -1.08 0.12 -0.80 0.16 0.00 0.00 175.35 173.71 2jtc s ASN 85 N 2.47 6.06 -0.20 1.43 0.02 -1.26 0.13 114.94 123.59 2jtc s ASN 85 Ca 0.04 0.17 -0.09 0.00 -1.02 0.00 0.00 52.86 51.96 2jtc s ASN 85 Cb -0.25 -2.06 -0.04 0.00 0.02 0.00 0.00 41.25 38.91 2jtc s ASN 85 CO 0.01 0.15 0.10 -0.76 0.02 0.00 0.00 177.10 176.62 2jtc s LEU 86 N 0.52 3.98 -0.12 0.60 1.02 0.19 -4.89 118.68 119.97 2jtc s LEU 86 Ca 0.07 0.13 0.03 0.00 0.02 0.00 0.00 54.13 54.37 2jtc s LEU 86 Cb -0.12 -2.02 0.01 0.00 0.02 0.00 0.00 46.19 44.08 2jtc s LEU 86 CO -0.00 0.16 -0.20 0.12 0.02 0.00 0.00 176.35 176.44 2jtc s PHE 87 N 0.48 2.40 -0.29 0.29 5.36 -1.26 -1.61 117.98 123.35 2jtc s PHE 87 Ca 0.05 -1.11 -0.07 0.00 -0.96 0.00 0.00 56.93 54.84 2jtc s PHE 87 Cb -0.12 -1.65 -0.00 0.00 -0.34 0.00 0.00 43.02 40.91 2jtc s PHE 87 CO -0.00 -0.50 0.08 0.00 -1.46 0.00 0.00 175.22 173.34 2jtc s ALA 88 N 0.70 3.10 -0.16 11.12 0.00 0.30 -4.94 121.76 131.88 2jtc s ALA 88 Ca -0.11 -1.38 -0.05 0.00 0.00 0.00 0.00 51.96 50.42 2jtc s ALA 88 Cb -0.16 -2.15 -0.20 0.00 0.00 0.00 0.00 23.12 20.61 2jtc s ALA 88 CO 0.02 -0.83 2.93 0.00 0.00 0.00 0.00 175.76 177.88 2jtc n ALA 89 N 4.89 5.39 -0.26 0.00 0.00 -1.26 -0.28 120.51 128.99 2jtc n ALA 89 Ca -0.15 -1.62 0.05 0.00 0.00 0.00 0.00 53.44 51.72 2jtc n ALA 89 Cb 0.49 -2.42 0.18 0.00 0.00 0.00 0.00 19.45 17.70 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 2.33 0.70 -0.96 0.00 2.04 -1.87 0.62 117.51 120.37 2jtc h ILE 90 Ca 0.22 -0.16 0.28 0.00 1.00 0.00 0.00 64.86 66.20 2jtc h ILE 90 Cb 1.08 0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 2jtc h ILE 90 CO 0.46 0.09 0.93 0.77 0.00 0.00 0.00 178.15 180.39 2jtc h SER 91 N 0.48 0.00 -0.59 1.72 4.64 -1.62 1.55 113.55 119.73 2jtc h SER 91 Ca 0.40 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 61.35 2jtc h SER 91 Cb 0.58 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 62.44 2jtc h SER 91 CO -0.38 0.00 -0.12 0.35 -0.87 0.00 0.00 176.83 175.82 2jtc n THR 92 N -3.63 2.75 -3.49 2.95 -2.24 0.22 -4.53 114.28 106.31 2jtc n THR 92 Ca 0.21 -3.20 -0.31 0.00 -2.27 0.00 0.00 64.05 58.49 2jtc n THR 92 Cb 1.24 -0.70 -0.04 0.00 -2.10 0.00 0.00 70.33 68.73 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 -3.45 3.68 -0.48 -0.78 1.81 0.53 -4.87 118.95 115.39 2jtc s ARG 93 Ca 0.50 0.06 0.01 0.00 -1.72 0.00 0.00 55.73 54.58 2jtc s ARG 93 Cb 0.43 -2.72 0.13 0.00 -0.45 0.00 0.00 34.95 32.33 2jtc s ARG 93 CO 0.01 0.34 0.23 -0.65 -0.68 0.00 0.00 175.30 174.55 2jtc s GLN 94 N -2.99 1.98 -0.92 3.54 -1.52 -1.26 -0.13 119.66 118.35 2jtc s GLN 94 Ca 0.44 -2.27 -0.23 0.00 -1.95 0.00 0.00 55.36 51.35 2jtc s GLN 94 Cb -0.11 -3.42 0.06 0.00 -0.22 0.00 0.00 33.01 29.31 2jtc s GLN 94 CO 0.25 -1.07 1.34 0.71 -0.25 0.00 0.00 175.29 176.27 2jtc s TYR 95 N 0.32 2.54 -1.01 0.91 2.02 0.55 -4.93 117.35 117.76 2jtc s TYR 95 Ca 0.14 -0.69 -0.23 0.00 -0.37 0.00 0.00 57.07 55.92 2jtc s TYR 95 Cb -0.22 -4.61 0.05 0.00 -0.40 0.00 0.00 41.96 36.77 2jtc s TYR 95 CO -0.04 -1.91 1.46 1.21 -1.57 0.00 0.00 175.55 174.70 2jtc s ASN 96 N 4.45 6.47 0.00 2.29 3.84 -1.26 -4.40 114.94 126.32 2jtc s ASN 96 Ca 0.40 -1.42 0.02 0.00 0.21 0.00 0.00 52.86 52.07 2jtc s ASN 96 Cb -0.03 -2.57 0.08 0.00 -0.55 0.00 0.00 41.25 38.17 2jtc s ASN 96 CO -0.03 -1.54 1.02 0.79 -2.79 0.00 0.00 177.10 174.56 2jtc n TRP 97 N 8.99 0.00 0.50 0.43 7.02 -1.26 0.50 117.44 133.62 2jtc n TRP 97 Ca 0.33 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.92 2jtc n TRP 97 Cb 0.51 -0.46 0.10 0.00 -2.42 0.00 0.00 31.31 29.03 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 0.68 -0.10 -0.99 4.13 -1.26 -3.95 115.26 112.31 2jtc n ASN 98 Ca 0.00 0.05 -0.14 0.00 1.68 0.00 0.00 54.58 56.18 2jtc n ASN 98 Cb 0.02 0.42 -0.14 0.00 -1.54 0.00 0.00 39.78 38.54 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 -2.15 0.92 -4.56 6.41 4.13 0.18 -4.72 115.26 115.47 2jtc n ASN 99 Ca 0.02 -0.01 -0.32 0.00 1.68 0.00 0.00 54.58 55.95 2jtc n ASN 99 Cb 0.46 0.29 -0.04 0.00 -1.54 0.00 0.00 39.78 38.94 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 -2.51 3.58 0.56 2.41 1.01 -0.04 -4.64 121.20 121.58 2jtc s ILE 100 Ca -0.20 -0.39 -0.18 0.00 0.00 0.00 0.00 60.65 59.88 2jtc s ILE 100 Cb 0.07 -4.34 -0.05 0.00 0.01 0.00 0.00 42.46 38.16 2jtc s ILE 100 CO 0.74 -1.26 1.10 -0.76 0.00 0.00 0.00 174.94 174.76 2jtc s LEU 101 N 8.36 3.66 0.46 2.97 1.43 -1.26 -4.90 118.68 129.40 2jtc s LEU 101 Ca 0.61 2.06 0.25 0.00 -1.03 0.00 0.00 54.13 56.03 2jtc s LEU 101 Cb -0.05 -4.57 0.66 0.00 0.03 0.00 0.00 46.19 42.26 2jtc s LEU 101 CO -0.01 -1.23 1.72 1.55 0.23 0.00 0.00 176.35 178.61 2jtc h PRO 102 N 0.92 0.00 -3.55 1.29 0.13 -1.85 -3.45 132.00 125.50 2jtc h PRO 102 Ca -0.49 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.43 2jtc h PRO 102 Cb 1.25 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.11 2jtc h PRO 102 CO 0.57 0.06 -0.62 -0.08 -0.23 0.00 0.00 178.00 177.69 2jtc s THR 103 N -3.35 0.00 -0.04 1.56 -1.32 -1.22 0.29 115.64 111.56 2jtc s THR 103 Ca 0.05 -0.03 0.04 0.00 -1.21 0.00 0.00 61.69 60.54 2jtc s THR 103 Cb 0.07 -0.13 -0.00 0.00 -1.51 0.00 0.00 72.50 70.93 2jtc s THR 103 CO 0.64 -0.02 -0.16 -0.31 -2.21 0.00 0.00 174.62 172.56 2jtc s TYR 104 N -0.02 1.63 -2.79 9.09 1.51 -1.25 -4.96 117.35 120.57 2jtc s TYR 104 Ca -0.01 -0.46 0.24 0.00 -1.01 0.00 0.00 57.07 55.83 2jtc s TYR 104 Cb -0.01 -1.10 0.31 0.00 -0.11 0.00 0.00 41.96 41.04 2jtc s TYR 104 CO 0.00 -0.16 1.33 -1.13 -1.11 0.00 0.00 175.55 174.49 2jtc n SER 105 N 3.15 3.11 0.00 2.29 3.41 -1.26 -4.91 113.62 119.40 2jtc n SER 105 Ca -0.18 -1.98 0.00 0.00 -0.26 0.00 0.00 58.87 56.45 2jtc n SER 105 Cb 0.53 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 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 1.40 0.93 0.13 5.00 0.00 -1.26 -4.82 105.19 106.58 2jtc n GLY 106 Ca 0.16 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.04 2.78 -1.39 1.61 1.74 -1.26 -4.96 116.66 113.14 2jtc n ARG 107 Ca 0.00 -1.75 -0.29 0.00 -0.77 0.00 0.00 57.85 55.04 2jtc n ARG 107 Cb 0.00 -1.12 0.18 0.00 -1.02 0.00 0.00 32.46 30.49 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 -1.26 0.36 1.27 5.56 8.01 -1.26 -5.02 118.70 126.35 2jtc s GLU 108 Ca 0.08 0.18 -0.20 0.00 0.01 0.00 0.00 54.97 55.04 2jtc s GLU 108 Cb 0.06 -1.76 0.31 0.00 -4.31 0.00 0.00 34.13 28.43 2jtc s GLU 108 CO 0.03 -2.71 1.05 -1.54 0.01 0.00 0.00 175.26 172.10 2jtc s SER 109 N -3.95 0.26 -0.02 -0.19 1.04 -1.26 -4.88 113.70 104.70 2jtc s SER 109 Ca 0.67 0.73 -0.18 0.00 0.48 0.00 0.00 55.95 57.65 2jtc s SER 109 Cb -0.13 -1.02 -0.33 0.00 0.10 0.00 0.00 66.02 64.63 2jtc s SER 109 CO 0.55 -4.54 0.90 0.78 0.98 0.00 0.00 173.24 171.91 2jtc h ASN 110 N -2.86 0.65 -0.29 7.02 2.35 -1.98 -3.04 115.58 117.42 2jtc h ASN 110 Ca -0.45 -0.93 0.07 0.00 -0.55 0.00 0.00 56.30 54.44 2jtc h ASN 110 Cb 1.31 -0.21 -0.07 0.00 0.05 0.00 0.00 38.32 39.40 2jtc h ASN 110 CO 0.33 1.59 -0.18 0.58 -1.65 0.00 0.00 177.43 178.10 2jtc h VAL 111 N -0.10 0.49 -0.61 2.81 2.07 -1.99 0.48 116.25 119.41 2jtc h VAL 111 Ca -0.22 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 2jtc h VAL 111 Cb 1.93 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 32.16 2jtc h VAL 111 CO 0.21 0.00 0.27 1.56 0.02 0.00 0.00 177.57 179.63 2jtc h GLN 112 N -0.14 0.88 -0.70 1.57 7.50 -1.83 -2.09 115.11 120.31 2jtc h GLN 112 Ca 0.16 -0.14 -0.01 0.00 0.50 0.00 0.00 58.65 59.15 2jtc h GLN 112 Cb 0.38 -0.15 -0.03 0.00 0.05 0.00 0.00 27.48 27.72 2jtc h GLN 112 CO -0.38 0.73 0.39 0.87 -1.50 0.00 0.00 178.83 178.93 2jtc h LYS 113 N 0.83 0.96 -0.49 1.46 1.57 -1.10 -2.29 116.57 117.51 2jtc h LYS 113 Ca 0.21 -0.10 0.01 0.00 -1.87 0.00 0.00 60.65 58.90 2jtc h LYS 113 Cb 0.15 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 2jtc h LYS 113 CO -0.02 0.70 0.32 1.98 -0.57 0.00 0.00 179.45 181.85 2jtc h MET 114 N 0.97 0.62 0.02 3.15 4.05 0.59 0.14 114.93 124.47 2jtc h MET 114 Ca 0.25 -0.04 0.01 0.00 -0.28 0.00 0.00 59.70 59.64 2jtc h MET 114 Cb 0.01 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 30.65 2jtc h MET 114 CO -0.04 0.41 -0.09 0.00 0.23 0.00 0.00 176.91 177.42 2jtc h ALA 115 N 1.19 -0.11 -0.25 0.39 0.00 -1.00 -0.25 119.26 119.22 2jtc h ALA 115 Ca 0.19 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 2jtc h ALA 115 Cb -0.05 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2jtc h ALA 115 CO -0.05 -0.59 -0.25 0.97 0.00 0.00 0.00 179.25 179.33 2jtc h ILE 116 N -0.16 1.31 -0.98 0.00 6.09 -1.36 -1.39 117.51 121.02 2jtc h ILE 116 Ca 0.03 -1.42 0.12 0.00 -1.37 0.00 0.00 64.86 62.22 2jtc h ILE 116 Cb 0.19 1.65 -0.09 0.00 0.47 0.00 0.00 36.82 39.05 2jtc h ILE 116 CO -0.07 0.44 0.61 0.77 -3.07 0.00 0.00 178.15 176.83 2jtc h SER 117 N 0.33 0.88 -0.23 2.19 4.64 -0.57 0.23 113.55 121.02 2jtc h SER 117 Ca 0.04 0.05 -0.12 0.00 -0.47 0.00 0.00 61.79 61.30 2jtc h SER 117 Cb 0.81 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.78 2jtc h SER 117 CO 0.06 0.46 -0.31 -0.08 -0.87 0.00 0.00 176.83 176.09 2jtc h GLU 118 N 0.95 0.62 -0.19 4.77 4.81 -0.91 0.57 114.58 125.20 2jtc h GLU 118 Ca 0.49 -0.36 0.05 0.00 -0.13 0.00 0.00 59.36 59.42 2jtc h GLU 118 Cb 0.51 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.87 2jtc h GLU 118 CO -0.28 0.96 -0.14 1.25 -0.73 0.00 0.00 179.01 180.08 2jtc h LEU 119 N 0.32 -0.45 -0.58 1.64 5.85 0.06 1.33 115.31 123.48 2jtc h LEU 119 Ca 0.03 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.85 2jtc h LEU 119 Cb 0.89 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 2jtc h LEU 119 CO 0.07 -0.18 0.38 0.24 -0.34 0.00 0.00 178.44 178.61 2jtc h MET 120 N -0.14 0.77 -0.59 1.25 2.86 -0.53 1.27 114.93 119.81 2jtc h MET 120 Ca 0.11 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.65 2jtc h MET 120 Cb 0.31 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 2jtc h MET 120 CO -0.28 0.51 0.14 0.00 1.06 0.00 0.00 176.91 178.35 2jtc h ALA 121 N 1.21 0.78 0.19 6.32 0.00 0.44 2.46 119.26 130.65 2jtc h ALA 121 Ca 0.21 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2jtc h ALA 121 Cb -0.08 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.49 2jtc h ALA 121 CO -0.04 0.48 -0.09 -0.44 0.00 0.00 0.00 179.25 179.16 2jtc h ASP 122 N 0.85 -0.22 0.78 0.00 3.32 0.23 0.11 116.42 121.50 2jtc h ASP 122 Ca 0.18 -0.19 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 2jtc h ASP 122 Cb 0.35 0.06 0.01 0.00 0.22 0.00 0.00 39.33 39.96 2jtc h ASP 122 CO 0.00 0.08 -0.37 0.58 -1.72 0.00 0.00 179.24 177.81 2jtc h VAL 123 N -0.52 0.00 -0.63 -1.35 2.07 0.19 0.64 116.25 116.65 2jtc h VAL 123 Ca -0.03 -0.05 0.12 0.00 0.82 0.00 0.00 66.70 67.57 2jtc h VAL 123 Cb 0.40 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.04 2jtc h VAL 123 CO 0.04 0.00 -0.20 1.23 0.02 0.00 0.00 177.57 178.66 2jtc h GLY 124 N -1.09 0.33 0.83 2.17 0.00 0.42 0.14 103.07 105.86 2jtc h GLY 124 Ca -0.11 0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.47 2jtc h GLY 124 CO 0.18 -0.24 -0.22 -2.22 0.00 0.00 0.00 176.54 174.04 2jtc h ILE 125 N -0.05 0.52 -1.33 2.60 2.04 -0.68 0.55 117.51 121.16 2jtc h ILE 125 Ca 0.29 -0.29 0.39 0.00 1.00 0.00 0.00 64.86 66.24 2jtc h ILE 125 Cb 0.50 0.65 -0.07 0.00 -0.74 0.00 0.00 36.82 37.17 2jtc h ILE 125 CO -0.67 0.05 0.94 0.77 0.00 0.00 0.00 178.15 179.24 2jtc h SER 126 N -0.79 0.08 -1.01 1.72 4.64 0.16 0.65 113.55 118.99 2jtc h SER 126 Ca -0.06 0.02 -0.67 0.00 -0.47 0.00 0.00 61.79 60.61 2jtc h SER 126 Cb 0.55 0.01 -0.31 0.00 -0.31 0.00 0.00 62.40 62.35 2jtc h SER 126 CO 0.10 -0.01 0.69 1.33 -0.87 0.00 0.00 176.83 178.08 2jtc n VAL 127 N -4.23 3.51 -4.13 0.95 0.24 0.36 -4.67 118.33 110.35 2jtc n VAL 127 Ca 0.30 -3.13 -0.35 0.00 -2.04 0.00 0.00 64.34 59.12 2jtc n VAL 127 Cb 1.37 -1.16 -0.07 0.00 -1.47 0.00 0.00 33.84 32.51 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 -0.88 -1.64 -4.65 -1.34 9.92 0.23 -4.05 116.55 114.13 2jtc n ASP 128 Ca 0.60 -0.94 -0.49 0.00 -0.53 0.00 0.00 54.79 53.44 2jtc n ASP 128 Cb 0.68 -1.46 -0.05 0.00 -0.64 0.00 0.00 41.12 39.65 2jtc n ASP 128 CO 0.00 0.00 0.00 0.80 0.13 0.00 0.00 177.20 178.13 2jtc n MET 129 N -3.71 1.77 -2.59 -1.24 0.00 0.19 -4.60 117.12 106.93 2jtc n MET 129 Ca 0.10 0.64 -0.43 0.00 -0.00 0.00 0.00 57.70 58.01 2jtc n MET 129 Cb 0.44 -2.37 -0.02 0.00 0.00 0.00 0.00 33.22 31.27 2jtc n MET 129 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 2jtc s ASP 130 N 1.27 7.12 -0.31 6.12 -1.08 0.47 -4.85 116.67 125.42 2jtc s ASP 130 Ca 0.83 1.58 -0.09 0.00 -0.52 0.00 0.00 52.55 54.35 2jtc s ASP 130 Cb -0.79 -2.55 -0.01 0.00 -1.46 0.00 0.00 42.92 38.11 2jtc s ASP 130 CO 0.44 -0.58 0.15 -0.31 0.52 0.00 0.00 175.17 175.39 2jtc s TYR 131 N 2.58 3.17 0.00 -5.34 2.02 -1.26 -1.89 117.35 116.63 2jtc s TYR 131 Ca 0.50 -0.57 0.00 0.00 -0.37 0.00 0.00 57.07 56.62 2jtc s TYR 131 Cb -0.19 -2.35 0.00 0.00 -0.40 0.00 0.00 41.96 39.02 2jtc s TYR 131 CO 0.15 -0.45 0.00 0.41 -1.57 0.00 0.00 175.55 174.09 2jtc n GLY 132 N 4.98 3.61 0.24 0.71 0.00 -1.26 -4.84 105.19 108.62 2jtc n GLY 132 Ca -0.14 -1.16 0.07 0.00 0.00 0.00 0.00 46.02 44.79 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 -5.95 1.61 0.13 -1.91 -2.14 132.00 123.74 2jtc h PRO 133 Ca 0.00 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.45 2jtc h PRO 133 Cb 0.00 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 30.93 2jtc h PRO 133 CO 0.00 0.11 -0.69 -1.12 -0.23 0.00 0.00 178.00 176.07 2jtc s SER 134 N -6.93 4.63 -0.30 1.44 0.01 -1.26 -4.10 113.70 107.19 2jtc s SER 134 Ca -0.04 -0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.16 2jtc s SER 134 Cb 0.16 -1.30 0.06 0.00 0.21 0.00 0.00 66.02 65.15 2jtc s SER 134 CO 0.67 0.32 -0.02 -0.44 0.41 0.00 0.00 173.24 174.18 2jtc s SER 135 N -0.54 4.77 -0.11 2.44 0.01 -1.26 -4.65 113.70 114.35 2jtc s SER 135 Ca 0.08 -1.42 -0.03 0.00 1.31 0.00 0.00 55.95 55.89 2jtc s SER 135 Cb -0.12 -1.66 -0.03 0.00 0.21 0.00 0.00 66.02 64.42 2jtc s SER 135 CO 0.02 -0.26 -0.00 -0.83 0.41 0.00 0.00 173.24 172.57 2jtc s GLY 136 N 1.22 1.82 0.00 3.44 0.00 -0.79 -3.77 107.32 109.24 2jtc s GLY 136 Ca -0.05 -0.80 0.00 0.00 0.00 0.00 0.00 44.72 43.87 2jtc s GLY 136 CO -0.03 -0.37 0.00 -1.26 0.00 0.00 0.00 173.10 171.44 2jtc n SER 137 N 2.66 1.86 -0.09 1.64 2.88 -1.26 0.18 113.62 121.48 2jtc n SER 137 Ca -0.18 -0.34 -0.14 0.00 -1.33 0.00 0.00 58.87 56.88 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 n ALA 138 N -3.00 0.69 0.00 -1.46 0.00 -1.26 -2.51 120.51 112.97 2jtc n ALA 138 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.88 2jtc n ALA 138 Cb 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.28 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 1.50 0.31 0.22 0.00 0.00 -1.26 -2.07 105.19 103.89 2jtc n GLY 139 Ca -0.22 -1.16 -0.07 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.81 -1.20 1.61 0.02 -1.93 1.17 113.55 112.41 2jtc h SER 140 Ca 0.00 0.10 0.35 0.00 -0.84 0.00 0.00 61.79 61.39 2jtc h SER 140 Cb 0.00 0.32 -0.09 0.00 0.14 0.00 0.00 62.40 62.77 2jtc h SER 140 CO 0.00 -0.22 0.80 0.77 -1.14 0.00 0.00 176.83 177.04 2jtc h SER 141 N -0.26 0.25 0.01 3.07 4.64 -1.97 1.20 113.55 120.49 2jtc h SER 141 Ca 0.02 0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.39 2jtc h SER 141 Cb 0.31 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2jtc h SER 141 CO -0.21 -0.01 -0.05 0.03 -0.87 0.00 0.00 176.83 175.72 2jtc h ARG 142 N 0.19 0.01 0.29 4.77 2.47 -1.51 -2.96 114.38 117.65 2jtc h ARG 142 Ca 0.66 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 59.34 2jtc h ARG 142 Cb 2.10 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 30.43 2jtc h ARG 142 CO -0.24 1.01 -0.14 0.28 0.56 0.00 0.00 179.97 181.45 2jtc h VAL 143 N -0.97 0.69 -0.61 2.04 2.07 0.38 0.73 116.25 120.58 2jtc h VAL 143 Ca -0.01 -0.71 0.09 0.00 0.82 0.00 0.00 66.70 66.89 2jtc h VAL 143 Cb 1.03 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.80 2jtc h VAL 143 CO 0.00 0.13 0.41 0.06 0.02 0.00 0.00 177.57 178.19 2jtc h GLN 144 N -0.80 0.46 0.02 1.57 -0.00 0.11 1.15 115.11 117.61 2jtc h GLN 144 Ca -0.04 -0.03 -0.06 0.00 -0.00 0.00 0.00 58.65 58.52 2jtc h GLN 144 Cb 0.51 -0.10 0.01 0.00 -0.00 0.00 0.00 27.48 27.89 2jtc h GLN 144 CO 0.06 0.30 -0.26 -0.09 -0.00 0.00 0.00 178.83 178.85 2jtc h ARG 145 N 0.47 0.14 -0.27 0.06 2.43 -1.40 -3.19 114.38 112.62 2jtc h ARG 145 Ca 0.28 -0.18 -0.08 0.00 -0.81 0.00 0.00 59.98 59.19 2jtc h ARG 145 Cb 0.47 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 2jtc h ARG 145 CO -0.08 0.97 -0.18 0.00 -1.51 0.00 0.00 179.97 179.17 2jtc h ALA 146 N 0.18 1.19 -0.23 2.80 0.00 0.12 0.47 119.26 123.78 2jtc h ALA 146 Ca -0.04 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.60 2jtc h ALA 146 Cb 1.08 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 2jtc h ALA 146 CO 0.05 0.52 0.03 -0.07 0.00 0.00 0.00 179.25 179.78 2jtc h LEU 147 N 0.44 -0.02 0.06 0.00 3.38 0.13 -1.17 115.31 118.13 2jtc h LEU 147 Ca 0.08 0.04 -0.30 0.00 0.09 0.00 0.00 57.88 57.78 2jtc h LEU 147 Cb 0.57 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 2jtc h LEU 147 CO 0.04 0.02 -1.64 0.11 0.09 0.00 0.00 178.44 177.06 2jtc h LYS 148 N 0.12 0.13 0.24 1.13 1.57 -1.51 0.49 116.57 118.73 2jtc h LYS 148 Ca 0.11 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 2jtc h LYS 148 Cb 0.11 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2jtc h LYS 148 CO -0.15 0.87 -0.12 0.93 -0.57 0.00 0.00 179.45 180.42 2jtc h GLU 149 N 0.03 -0.31 0.16 3.15 5.08 0.02 -2.03 114.58 120.68 2jtc h GLU 149 Ca -0.27 0.02 -0.32 0.00 -1.00 0.00 0.00 59.36 57.79 2jtc h GLU 149 Cb 1.99 0.07 0.01 0.00 0.50 0.00 0.00 28.75 31.32 2jtc h GLU 149 CO 0.11 -0.21 -1.51 -0.91 -1.00 0.00 0.00 179.01 175.49 2jtc h ASN 150 N -0.69 0.53 -0.14 1.42 4.21 -1.43 -3.35 115.58 116.14 2jtc h ASN 150 Ca -0.03 -0.67 0.00 0.00 1.21 0.00 0.00 56.30 56.80 2jtc h ASN 150 Cb 0.25 -0.17 0.00 0.00 -1.12 0.00 0.00 38.32 37.27 2jtc h ASN 150 CO 0.05 1.55 0.00 0.49 -1.29 0.00 0.00 177.43 178.23 2jtc n PHE 151 N -3.54 0.15 -4.38 1.19 3.72 -0.65 -2.25 117.46 111.70 2jtc n PHE 151 Ca -0.17 -0.08 -0.39 0.00 -0.05 0.00 0.00 57.45 56.77 2jtc n PHE 151 Cb 1.06 -0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.54 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 1.35 -0.38 3.60 1.37 0.00 -0.32 -4.61 105.19 106.19 2jtc n GLY 152 Ca 0.15 0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.40 1.59 0.40 1.61 1.51 0.16 -4.82 117.35 114.40 2jtc s TYR 153 Ca 0.69 1.45 -0.23 0.00 -1.01 0.00 0.00 57.07 57.97 2jtc s TYR 153 Cb -0.39 -3.20 -0.13 0.00 -0.11 0.00 0.00 41.96 38.13 2jtc s TYR 153 CO 0.98 -3.23 0.65 -1.71 -1.11 0.00 0.00 175.55 171.13 2jtc n ASN 154 N -4.50 -0.42 0.33 2.29 2.85 0.41 -4.63 115.26 111.58 2jtc n ASN 154 Ca 0.07 0.96 0.15 0.00 -0.11 0.00 0.00 54.58 55.65 2jtc n ASN 154 Cb 0.53 -1.15 0.78 0.00 1.24 0.00 0.00 39.78 41.18 2jtc n ASN 154 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 2jtc h GLN 155 N 1.00 0.00 0.00 1.20 5.75 -1.88 0.38 115.11 121.56 2jtc h GLN 155 Ca -0.40 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.10 2jtc h GLN 155 Cb 1.39 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.94 2jtc h GLN 155 CO 0.53 0.00 0.20 0.66 -2.65 0.00 0.00 178.83 177.57 2jtc h SER 156 N 0.00 0.00 -2.58 -0.69 4.64 -1.84 -3.40 113.55 109.68 2jtc h SER 156 Ca 0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 2jtc h SER 156 Cb 0.69 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.78 2jtc h SER 156 CO 0.00 0.00 1.09 -0.69 -0.87 0.00 0.00 176.83 176.36 2jtc s VAL 157 N -3.45 3.33 0.09 0.95 1.01 0.12 -4.51 120.40 117.94 2jtc s VAL 157 Ca -0.02 0.51 -0.10 0.00 0.00 0.00 0.00 61.98 62.37 2jtc s VAL 157 Cb 0.05 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 33.10 2jtc s VAL 157 CO 0.16 -0.03 0.22 -1.38 0.00 0.00 0.00 175.10 174.06 2jtc s HIS 158 N 3.75 0.10 0.17 5.22 -3.43 -1.17 -4.96 115.29 114.97 2jtc s HIS 158 Ca 0.77 -0.51 0.04 0.00 -0.80 0.00 0.00 55.06 54.55 2jtc s HIS 158 Cb -0.37 -0.02 -0.04 0.00 -1.43 0.00 0.00 32.58 30.73 2jtc s HIS 158 CO 0.33 -0.56 0.25 -1.14 -2.00 0.00 0.00 174.74 171.61 2jtc s GLN 159 N -3.83 3.27 0.01 -0.38 0.74 -1.26 -1.21 119.66 117.00 2jtc s GLN 159 Ca 0.04 -0.71 0.02 0.00 0.05 0.00 0.00 55.36 54.76 2jtc s GLN 159 Cb 0.04 -2.85 -0.01 0.00 1.10 0.00 0.00 33.01 31.29 2jtc s GLN 159 CO -0.11 0.50 -0.07 0.96 -0.55 0.00 0.00 175.29 176.02 2jtc s ILE 160 N -1.79 0.51 -0.41 -2.34 -4.36 0.83 -4.89 121.20 108.75 2jtc s ILE 160 Ca 0.33 -0.53 -0.08 0.00 -0.26 0.00 0.00 60.65 60.12 2jtc s ILE 160 Cb -0.10 -0.48 0.08 0.00 1.25 0.00 0.00 42.46 43.21 2jtc s ILE 160 CO 0.27 -0.03 0.24 0.20 0.24 0.00 0.00 174.94 175.86 2jtc s ASN 161 N -0.61 5.55 0.39 4.36 0.01 -1.26 0.26 114.94 123.64 2jtc s ASN 161 Ca -0.01 -1.55 0.19 0.00 -0.71 0.00 0.00 52.86 50.77 2jtc s ASN 161 Cb -0.05 -1.95 1.12 0.00 0.41 0.00 0.00 41.25 40.78 2jtc s ASN 161 CO 0.00 -0.52 1.73 -0.09 -1.51 0.00 0.00 177.10 176.71 2jtc h ARG 162 N 8.34 0.36 0.00 -0.60 9.65 -1.41 1.79 114.38 132.52 2jtc h ARG 162 Ca -0.22 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 58.64 2jtc h ARG 162 Cb 1.08 -0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 29.58 2jtc h ARG 162 CO 0.74 0.24 -0.01 0.78 2.80 0.00 0.00 179.97 184.51 2jtc h GLY 163 N 0.37 0.00 -0.93 2.80 0.00 -1.92 -2.11 103.07 101.28 2jtc h GLY 163 Ca 0.65 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.98 2jtc h GLY 163 CO -0.37 0.00 -0.33 1.22 0.00 0.00 0.00 176.54 177.06 2jtc n ASP 164 N -3.14 1.89 -4.63 0.19 8.00 0.60 -4.98 116.55 114.47 2jtc n ASP 164 Ca -0.01 -1.45 -0.26 0.00 0.71 0.00 0.00 54.79 53.78 2jtc n ASP 164 Cb 0.18 0.41 -0.10 0.00 -0.02 0.00 0.00 41.12 41.59 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 -2.05 2.52 -0.11 1.24 0.40 -0.66 -4.99 117.98 114.33 2jtc s PHE 165 Ca 0.16 -0.58 -0.11 0.00 -0.60 0.00 0.00 56.93 55.80 2jtc s PHE 165 Cb 0.15 -1.70 -0.05 0.00 0.51 0.00 0.00 43.02 41.94 2jtc s PHE 165 CO 0.44 0.42 0.25 -1.54 0.70 0.00 0.00 175.22 175.49 2jtc s SER 166 N -3.73 6.50 0.20 1.36 1.04 -1.26 -4.84 113.70 112.97 2jtc s SER 166 Ca 0.36 0.59 0.03 0.00 0.48 0.00 0.00 55.95 57.41 2jtc s SER 166 Cb 0.06 -2.15 0.54 0.00 0.10 0.00 0.00 66.02 64.56 2jtc s SER 166 CO 0.19 0.28 0.99 1.17 0.98 0.00 0.00 173.24 176.86 2jtc n LYS 167 N 2.50 -0.05 0.25 4.02 4.81 -1.26 0.18 118.16 128.61 2jtc n LYS 167 Ca -0.16 0.94 -0.10 0.00 -0.87 0.00 0.00 58.31 58.12 2jtc n LYS 167 Cb 0.53 -1.52 -0.05 0.00 0.02 0.00 0.00 35.03 34.01 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 -0.63 0.00 1.64 7.50 -2.00 -1.04 115.11 120.58 2jtc h GLN 168 Ca 0.41 0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.60 2jtc h GLN 168 Cb 0.88 0.14 0.00 0.00 0.05 0.00 0.00 27.48 28.56 2jtc h GLN 168 CO -0.58 -0.42 0.00 -0.25 -1.50 0.00 0.00 178.83 176.08 2jtc n ASP 169 N -4.13 0.55 -0.03 1.46 9.92 0.66 -1.64 116.55 123.35 2jtc n ASP 169 Ca -0.08 0.71 -0.15 0.00 -0.53 0.00 0.00 54.79 54.74 2jtc n ASP 169 Cb 0.26 -0.80 -0.11 0.00 -0.64 0.00 0.00 41.12 39.82 2jtc n ASP 169 CO 0.00 0.00 0.00 -0.25 0.13 0.00 0.00 177.20 177.08 2jtc h TRP 170 N 0.00 0.25 -0.02 1.24 2.91 0.23 -3.06 115.95 117.49 2jtc h TRP 170 Ca 0.00 -0.13 -0.12 0.00 1.13 0.00 0.00 58.89 59.77 2jtc h TRP 170 Cb 0.12 -0.03 -0.02 0.00 -0.51 0.00 0.00 29.16 28.73 2jtc h TRP 170 CO 0.00 0.94 -0.54 0.93 -1.03 0.00 0.00 178.44 178.74 2jtc h GLU 171 N -0.52 0.07 -0.67 2.65 5.08 -0.60 -2.93 114.58 117.66 2jtc h GLU 171 Ca -0.03 -0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.37 2jtc h GLU 171 Cb 1.01 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.20 2jtc h GLU 171 CO 0.05 0.59 0.34 0.00 -1.00 0.00 0.00 179.01 179.00 2jtc h ALA 172 N 1.40 0.91 -0.91 3.43 0.00 -1.33 0.88 119.26 123.64 2jtc h ALA 172 Ca -0.00 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2jtc h ALA 172 Cb 0.98 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 2jtc h ALA 172 CO 0.07 -0.03 0.52 1.96 0.00 0.00 0.00 179.25 181.78 2jtc h GLN 173 N 0.61 1.26 0.27 0.00 1.08 -1.41 -0.66 115.11 116.25 2jtc h GLN 173 Ca 0.32 -0.13 -0.01 0.00 -1.45 0.00 0.00 58.65 57.38 2jtc h GLN 173 Cb 0.29 -0.25 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 2jtc h GLN 173 CO -0.23 0.90 -0.13 0.82 -0.95 0.00 0.00 178.83 179.24 2jtc h ILE 174 N 1.27 0.32 -0.84 2.54 2.04 -0.94 -3.01 117.51 118.89 2jtc h ILE 174 Ca 0.32 -0.86 0.18 0.00 1.00 0.00 0.00 64.86 65.51 2jtc h ILE 174 Cb -0.01 0.55 -0.11 0.00 -0.74 0.00 0.00 36.82 36.50 2jtc h ILE 174 CO -0.06 0.09 0.34 -0.78 0.00 0.00 0.00 178.15 177.74 2jtc h ASP 175 N -1.03 0.29 -0.76 1.72 1.82 0.71 0.75 116.42 119.93 2jtc h ASP 175 Ca -0.04 0.14 0.14 0.00 -0.39 0.00 0.00 57.03 56.88 2jtc h ASP 175 Cb 0.42 0.12 -0.09 0.00 0.68 0.00 0.00 39.33 40.45 2jtc h ASP 175 CO 0.06 0.05 0.31 0.50 -1.61 0.00 0.00 179.24 178.55 2jtc h LYS 176 N 0.42 0.45 -0.09 0.28 3.64 -1.16 2.12 116.57 122.22 2jtc h LYS 176 Ca 0.49 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.85 2jtc h LYS 176 Cb 0.86 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.57 2jtc h LYS 176 CO -0.48 0.30 0.06 0.93 -2.27 0.00 0.00 179.45 177.98 2jtc h GLU 177 N 0.46 0.13 0.00 1.90 4.39 0.58 -2.04 114.58 120.00 2jtc h GLU 177 Ca 0.42 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 60.04 2jtc h GLU 177 Cb 0.62 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 2jtc h GLU 177 CO -0.39 0.13 -0.31 -0.07 -1.16 0.00 0.00 179.01 177.21 2jtc h LEU 178 N 0.09 0.00 -0.86 1.33 3.38 0.88 0.79 115.31 120.92 2jtc h LEU 178 Ca 0.03 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.17 2jtc h LEU 178 Cb 0.04 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.69 2jtc h LEU 178 CO -0.01 0.31 0.43 0.77 0.09 0.00 0.00 178.44 180.03 2jtc h SER 179 N 0.00 0.49 -0.87 -0.43 4.64 0.41 0.96 113.55 118.74 2jtc h SER 179 Ca -0.00 0.10 -0.49 0.00 -0.47 0.00 0.00 61.79 60.93 2jtc h SER 179 Cb 0.61 0.03 -0.26 0.00 -0.31 0.00 0.00 62.40 62.47 2jtc h SER 179 CO 0.04 0.17 0.62 0.00 -0.87 0.00 0.00 176.83 176.80 2jtc n GLN 180 N -4.91 2.19 -3.93 4.77 6.02 -1.05 -4.85 117.38 115.62 2jtc n GLN 180 Ca 0.18 -2.68 -0.25 0.00 -0.01 0.00 0.00 57.00 54.24 2jtc n GLN 180 Cb 0.48 -2.05 -0.02 0.00 1.02 0.00 0.00 30.24 29.67 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 -0.84 -0.36 -4.01 1.08 3.02 0.33 -4.94 115.26 109.54 2jtc n ASN 181 Ca 0.53 -0.99 -0.31 0.00 -0.03 0.00 0.00 54.58 53.78 2jtc n ASN 181 Cb 1.29 -3.13 -0.16 0.00 -0.61 0.00 0.00 39.78 37.17 2jtc n ASN 181 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2jtc s GLN 182 N -6.51 2.18 1.08 3.52 -0.21 0.27 -4.93 119.66 115.06 2jtc s GLN 182 Ca 0.00 -0.78 -0.13 0.00 0.02 0.00 0.00 55.36 54.47 2jtc s GLN 182 Cb -0.00 -2.36 0.23 0.00 1.00 0.00 0.00 33.01 31.88 2jtc s GLN 182 CO 0.88 -0.37 1.07 -1.25 -2.12 0.00 0.00 175.29 173.50 2jtc s PRO 183 N 1.40 -0.21 -0.07 2.91 0.04 -1.26 -1.53 135.00 136.28 2jtc s PRO 183 Ca 0.01 0.62 0.03 0.00 0.04 0.00 0.00 61.00 61.69 2jtc s PRO 183 Cb -0.15 -1.65 0.01 0.00 0.04 0.00 0.00 34.50 32.74 2jtc s PRO 183 CO -0.09 -3.19 -0.15 0.08 0.04 0.00 0.00 177.00 173.69 2jtc s VAL 184 N -2.76 1.37 -0.22 -0.36 1.01 0.12 -4.49 120.40 115.06 2jtc s VAL 184 Ca 0.67 -0.62 -0.29 0.00 0.00 0.00 0.00 61.98 61.73 2jtc s VAL 184 Cb -0.21 -1.22 0.01 0.00 0.00 0.00 0.00 36.38 34.95 2jtc s VAL 184 CO 0.61 0.41 1.07 -0.47 0.00 0.00 0.00 175.10 176.71 2jtc s TYR 185 N 0.52 3.28 0.24 5.22 6.14 -0.54 -0.40 117.35 131.81 2jtc s TYR 185 Ca -0.14 1.41 0.10 0.00 0.64 0.00 0.00 57.07 59.08 2jtc s TYR 185 Cb -0.16 -3.30 -0.05 0.00 0.42 0.00 0.00 41.96 38.88 2jtc s TYR 185 CO 0.05 -0.63 -0.18 -0.47 0.64 0.00 0.00 175.55 174.96 2jtc s TYR 186 N 3.20 2.01 -0.29 4.97 6.14 0.16 0.65 117.35 134.19 2jtc s TYR 186 Ca 0.46 -0.44 -0.15 0.00 0.64 0.00 0.00 57.07 57.57 2jtc s TYR 186 Cb -0.16 -0.91 0.14 0.00 0.42 0.00 0.00 41.96 41.45 2jtc s TYR 186 CO 0.07 0.53 0.89 1.14 0.64 0.00 0.00 175.55 178.82 2jtc s GLN 187 N -3.47 0.43 -0.53 4.97 -2.07 -0.95 0.12 119.66 118.17 2jtc s GLN 187 Ca 0.25 0.88 -0.19 0.00 -1.82 0.00 0.00 55.36 54.47 2jtc s GLN 187 Cb -0.03 0.29 0.07 0.00 -1.09 0.00 0.00 33.01 32.24 2jtc s GLN 187 CO 0.11 -0.11 0.66 0.20 -1.32 0.00 0.00 175.29 174.82 2jtc s GLY 188 N 1.90 1.75 0.90 2.60 0.00 0.18 -2.72 107.32 111.92 2jtc s GLY 188 Ca -0.07 -1.81 -0.11 0.00 0.00 0.00 0.00 44.72 42.73 2jtc s GLY 188 CO -0.17 1.53 1.09 0.14 0.00 0.00 0.00 173.10 175.69 2jtc s VAL 189 N 2.72 2.67 0.00 1.40 1.01 -1.25 -2.43 120.40 124.52 2jtc s VAL 189 Ca 0.15 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.35 2jtc s VAL 189 Cb -0.20 -2.63 0.00 0.00 0.00 0.00 0.00 36.38 33.55 2jtc s VAL 189 CO 0.11 -0.28 0.00 0.61 0.00 0.00 0.00 175.10 175.54 2jtc n GLY 190 N -0.89 2.97 0.08 4.51 0.00 -0.95 -4.00 105.19 106.90 2jtc n GLY 190 Ca 0.07 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 2jtc n GLY 190 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jtc h LYS 191 N 0.00 0.03 0.00 1.61 1.57 -1.95 -3.34 116.57 114.49 2jtc h LYS 191 Ca 0.00 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 2jtc h LYS 191 Cb 0.00 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 2jtc h LYS 191 CO 0.00 0.68 -0.23 -0.39 -0.57 0.00 0.00 179.45 178.94 2jtc h VAL 192 N 0.01 0.41 0.00 0.50 -1.51 -1.98 -3.50 116.25 110.19 2jtc h VAL 192 Ca -0.23 -1.48 0.00 0.00 -1.23 0.00 0.00 66.70 63.76 2jtc h VAL 192 Cb 1.96 2.12 0.00 0.00 -2.13 0.00 0.00 31.29 33.24 2jtc h VAL 192 CO 0.10 0.23 0.00 0.61 -1.23 0.00 0.00 177.57 177.27 2jtc n GLY 193 N 0.98 0.93 3.56 5.19 0.00 -1.25 -4.73 105.19 109.87 2jtc n GLY 193 Ca 0.03 -1.95 -0.41 0.00 0.00 0.00 0.00 46.02 43.69 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 0.91 0.05 -0.02 0.00 -0.88 -2.25 107.32 105.14 2jtc s GLY 194 Ca 0.00 -1.09 -0.31 0.00 0.00 0.00 0.00 44.72 43.33 2jtc s GLY 194 CO 0.00 2.68 1.33 -1.58 0.00 0.00 0.00 173.10 175.53 2jtc s HIS 195 N 5.77 3.16 0.30 1.90 2.46 -1.02 -4.38 115.29 123.48 2jtc s HIS 195 Ca 0.41 1.01 0.11 0.00 0.47 0.00 0.00 55.06 57.06 2jtc s HIS 195 Cb -0.08 -3.59 -0.05 0.00 -0.13 0.00 0.00 32.58 28.72 2jtc s HIS 195 CO 0.19 -2.06 -0.13 0.00 -2.47 0.00 0.00 174.74 170.28 2jtc s ALA 196 N 1.58 2.90 0.25 1.58 0.00 -1.26 0.47 121.76 127.28 2jtc s ALA 196 Ca 0.62 -1.92 -0.21 0.00 0.00 0.00 0.00 51.96 50.46 2jtc s ALA 196 Cb -0.32 -0.27 0.03 0.00 0.00 0.00 0.00 23.12 22.55 2jtc s ALA 196 CO 0.28 0.20 0.67 -0.59 0.00 0.00 0.00 175.76 176.33 2jtc s PHE 197 N -2.52 -0.22 -0.07 0.00 -0.12 0.33 -3.38 117.98 112.00 2jtc s PHE 197 Ca 0.31 -0.18 0.03 0.00 -0.05 0.00 0.00 56.93 57.04 2jtc s PHE 197 Cb -0.03 0.63 -0.02 0.00 -0.63 0.00 0.00 43.02 42.98 2jtc s PHE 197 CO 0.16 -1.13 -0.15 0.08 -0.05 0.00 0.00 175.22 174.13 2jtc s VAL 198 N -3.89 2.96 -0.24 -2.49 1.01 -1.16 0.38 120.40 116.97 2jtc s VAL 198 Ca 0.10 -0.74 -0.11 0.00 0.00 0.00 0.00 61.98 61.23 2jtc s VAL 198 Cb -0.04 -2.18 -0.05 0.00 0.00 0.00 0.00 36.38 34.11 2jtc s VAL 198 CO 0.03 0.57 0.18 -0.63 0.00 0.00 0.00 175.10 175.24 2jtc s ILE 199 N -0.39 5.35 -0.05 2.22 1.01 0.47 0.29 121.20 130.09 2jtc s ILE 199 Ca 0.04 0.21 0.22 0.00 0.00 0.00 0.00 60.65 61.13 2jtc s ILE 199 Cb -0.12 -3.51 0.43 0.00 0.01 0.00 0.00 42.46 39.26 2jtc s ILE 199 CO 0.02 0.34 1.18 -0.90 0.00 0.00 0.00 174.94 175.58 2jtc n ASP 200 N 4.30 1.18 -3.61 3.58 5.75 -0.96 0.10 116.55 126.90 2jtc n ASP 200 Ca -0.15 -2.47 -0.00 0.00 -0.01 0.00 0.00 54.79 52.16 2jtc n ASP 200 Cb 0.52 -0.36 -0.01 0.00 -1.03 0.00 0.00 41.12 40.24 2jtc n ASP 200 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2jtc s GLY 201 N -2.31 -0.36 -0.05 6.12 0.00 -1.21 0.25 107.32 109.76 2jtc s GLY 201 Ca 0.35 1.15 -0.13 0.00 0.00 0.00 0.00 44.72 46.09 2jtc s GLY 201 CO -0.15 0.31 0.30 0.00 0.00 0.00 0.00 173.10 173.56 2jtc s ALA 202 N -2.32 -0.74 -1.65 3.20 0.00 0.60 -0.87 121.76 119.98 2jtc s ALA 202 Ca 0.13 0.47 0.14 0.00 0.00 0.00 0.00 51.96 52.70 2jtc s ALA 202 Cb 0.03 -0.12 0.19 0.00 0.00 0.00 0.00 23.12 23.21 2jtc s ALA 202 CO -0.04 -0.22 1.05 -0.25 0.00 0.00 0.00 175.76 176.30 2jtc n ASP 203 N 1.84 2.46 0.00 0.00 9.92 0.36 0.07 116.55 131.20 2jtc n ASP 203 Ca -0.19 -1.71 0.00 0.00 -0.53 0.00 0.00 54.79 52.37 2jtc n ASP 203 Cb 0.57 -0.08 0.00 0.00 -0.64 0.00 0.00 41.12 40.97 2jtc n ASP 203 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2jtc n GLY 204 N 0.81 2.06 1.59 0.44 0.00 -1.26 -4.76 105.19 104.07 2jtc n GLY 204 Ca 0.10 -0.16 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 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 1.57 -1.83 1.61 1.74 -1.26 -4.52 116.66 113.97 2jtc n ARG 205 Ca 0.00 -1.30 -0.04 0.00 -0.77 0.00 0.00 57.85 55.74 2jtc n ARG 205 Cb 0.00 -1.51 -0.01 0.00 -1.02 0.00 0.00 32.46 29.93 2jtc n ARG 205 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2jtc n ASN 206 N -0.06 -2.32 -4.28 0.55 5.15 -1.26 -5.03 115.26 108.01 2jtc n ASN 206 Ca 0.26 0.02 -0.32 0.00 -0.60 0.00 0.00 54.58 53.94 2jtc n ASN 206 Cb 0.91 -1.33 -0.16 0.00 -0.53 0.00 0.00 39.78 38.67 2jtc n ASN 206 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 2jtc s PHE 207 N -2.18 2.54 0.32 1.20 0.40 -1.26 -4.97 117.98 114.02 2jtc s PHE 207 Ca 0.00 -0.78 0.08 0.00 -0.60 0.00 0.00 56.93 55.63 2jtc s PHE 207 Cb 0.00 -1.67 -0.06 0.00 0.51 0.00 0.00 43.02 41.80 2jtc s PHE 207 CO 0.00 -0.25 -0.07 0.71 0.70 0.00 0.00 175.22 176.31 2jtc s TYR 208 N 0.02 2.18 0.11 0.36 1.51 -1.26 0.13 117.35 120.41 2jtc s TYR 208 Ca -0.08 -0.62 -0.11 0.00 -1.01 0.00 0.00 57.07 55.25 2jtc s TYR 208 Cb -0.15 -1.27 -0.06 0.00 -0.11 0.00 0.00 41.96 40.37 2jtc s TYR 208 CO 0.05 0.42 0.45 -1.58 -1.11 0.00 0.00 175.55 173.78 2jtc s HIS 209 N -2.83 3.58 -0.01 2.71 2.46 -0.05 0.12 115.29 121.26 2jtc s HIS 209 Ca 0.31 0.86 0.02 0.00 0.47 0.00 0.00 55.06 56.72 2jtc s HIS 209 Cb 0.04 -2.22 0.00 0.00 -0.13 0.00 0.00 32.58 30.27 2jtc s HIS 209 CO 0.14 0.47 -0.06 0.08 -2.47 0.00 0.00 174.74 172.91 2jtc s VAL 210 N -1.45 0.50 -0.82 0.89 1.01 -0.56 -2.25 120.40 117.71 2jtc s VAL 210 Ca 0.36 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.12 2jtc s VAL 210 Cb -0.14 -0.44 0.29 0.00 0.00 0.00 0.00 36.38 36.08 2jtc s VAL 210 CO 0.19 0.16 1.13 -3.20 0.00 0.00 0.00 175.10 173.37 2jtc n ASN 211 N 3.16 5.11 -4.20 3.32 2.85 0.14 -2.87 115.26 122.77 2jtc n ASN 211 Ca -0.16 -3.49 -0.35 0.00 -0.11 0.00 0.00 54.58 50.48 2jtc n ASN 211 Cb 0.56 -0.91 0.10 0.00 1.24 0.00 0.00 39.78 40.77 2jtc n ASN 211 CO 0.00 0.00 0.00 0.79 -2.11 0.00 0.00 177.26 175.94 2jtc n TRP 212 N 0.81 -2.41 0.99 1.20 7.02 -1.26 -2.97 117.44 120.82 2jtc n TRP 212 Ca 0.30 0.22 0.09 0.00 -1.02 0.00 0.00 57.50 57.09 2jtc n TRP 212 Cb 0.37 -1.57 0.49 0.00 -2.42 0.00 0.00 31.31 28.18 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 2.50 -0.69 3.85 6.99 0.00 -1.22 -4.73 105.19 111.89 2jtc n GLY 213 Ca 0.01 -0.10 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.25 2.78 -0.14 1.61 0.52 -1.26 -4.70 118.94 115.49 2jtc s TRP 214 Ca 0.22 -0.42 0.01 0.00 0.02 0.00 0.00 56.10 55.94 2jtc s TRP 214 Cb 0.12 -1.97 0.02 0.00 -1.15 0.00 0.00 33.47 30.49 2jtc s TRP 214 CO 0.23 0.05 0.71 0.41 0.02 0.00 0.00 176.95 178.37 2jtc n GLY 215 N -1.43 0.15 0.00 0.98 0.00 -1.26 -4.61 105.19 99.01 2jtc n GLY 215 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.09 -0.10 0.00 -0.02 0.00 -1.26 -4.95 105.19 98.77 2jtc n GLY 216 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.04 0.00 -0.41 1.61 3.14 -1.26 -4.82 118.33 116.56 2jtc n VAL 217 Ca 0.00 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.29 2jtc n VAL 217 Cb 0.20 -0.33 -0.03 0.00 -1.06 0.00 0.00 33.84 32.61 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 2.49 -4.64 6.55 7.64 -1.26 -4.84 113.62 119.56 2jtc n SER 218 Ca 0.00 -2.04 -0.43 0.00 1.01 0.00 0.00 58.87 57.41 2jtc n SER 218 Cb 0.00 -0.70 -0.02 0.00 -1.01 0.00 0.00 64.21 62.48 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 3.40 6.94 0.00 6.43 1.01 -1.26 -4.47 116.67 128.72 2jtc s ASP 219 Ca 0.24 1.07 0.00 0.00 0.71 0.00 0.00 52.55 54.56 2jtc s ASP 219 Cb 0.08 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.47 2jtc s ASP 219 CO -0.01 -0.87 0.00 0.61 0.21 0.00 0.00 175.17 175.11 2jtc n GLY 220 N 3.84 -1.45 3.36 0.21 0.00 -1.14 -5.02 105.19 105.00 2jtc n GLY 220 Ca 0.12 0.47 -0.20 0.00 0.00 0.00 0.00 46.02 46.41 2jtc n GLY 220 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jtc s PHE 221 N 0.00 1.66 0.88 1.61 0.40 -1.26 -1.50 117.98 119.77 2jtc s PHE 221 Ca 0.00 -1.38 -0.10 0.00 -0.60 0.00 0.00 56.93 54.85 2jtc s PHE 221 Cb 0.00 -0.90 0.12 0.00 0.51 0.00 0.00 43.02 42.75 2jtc s PHE 221 CO 0.00 -0.51 1.12 0.12 0.70 0.00 0.00 175.22 176.65 2jtc s PHE 222 N -3.52 1.95 0.47 0.36 5.36 0.32 -4.49 117.98 118.43 2jtc s PHE 222 Ca 0.34 1.67 0.02 0.00 -0.96 0.00 0.00 56.93 58.00 2jtc s PHE 222 Cb 0.04 -3.23 0.01 0.00 -0.34 0.00 0.00 43.02 39.50 2jtc s PHE 222 CO 0.18 -2.51 0.67 1.03 -1.46 0.00 0.00 175.22 173.13 2jtc s ARG 223 N -4.74 2.86 -0.12 10.12 1.81 -1.26 -4.78 118.95 122.84 2jtc s ARG 223 Ca 0.65 -0.73 0.17 0.00 -1.72 0.00 0.00 55.73 54.10 2jtc s ARG 223 Cb -0.21 -2.59 0.27 0.00 -0.45 0.00 0.00 34.95 31.98 2jtc s ARG 223 CO 0.58 -0.38 1.14 1.28 -0.68 0.00 0.00 175.30 177.23 2jtc n LEU 224 N -2.09 2.18 0.00 2.53 7.99 -1.26 -4.88 117.00 121.47 2jtc n LEU 224 Ca 0.04 -2.95 0.00 0.00 -0.01 0.00 0.00 56.01 53.09 2jtc n LEU 224 Cb 0.59 -0.40 0.00 0.00 -0.11 0.00 0.00 43.42 43.50 2jtc n LEU 224 CO 0.45 0.70 0.00 -0.90 -1.51 0.00 0.00 177.39 176.13 2jtc n ASP 225 N -1.32 0.00 0.00 -1.43 5.75 -1.26 -5.11 116.55 113.18 2jtc n ASP 225 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.93 2jtc n ASP 225 Cb 0.65 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.74 2jtc n ASP 225 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jtc n ALA 226 N -1.41 0.00 -1.84 2.12 0.00 -1.26 -5.11 120.51 113.00 2jtc n ALA 226 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2jtc n ALA 226 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.00 -4.96 0.00 -0.00 -1.26 -4.97 117.00 105.81 2jtc n LEU 227 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 56.01 55.79 2jtc n LEU 227 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.40 2jtc n LEU 227 CO 0.00 0.00 -0.06 0.20 -0.00 0.00 0.00 177.39 177.53 2jtc s ASN 228 N -1.00 6.31 0.00 1.45 0.02 -1.26 -4.66 114.94 115.80 2jtc s ASN 228 Ca 0.00 0.09 0.00 0.00 -1.02 0.00 0.00 52.86 51.93 2jtc s ASN 228 Cb 0.00 -1.86 0.00 0.00 0.02 0.00 0.00 41.25 39.41 2jtc s ASN 228 CO 0.00 -0.03 0.05 -0.81 0.02 0.00 0.00 177.10 176.33 2jtc n PRO 229 N -1.15 0.00 -2.94 -0.60 -0.04 -1.26 -4.68 135.00 124.33 2jtc n PRO 229 Ca -0.08 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.10 2jtc n PRO 229 Cb 0.56 -0.50 -0.04 0.00 -0.04 0.00 0.00 33.50 33.49 2jtc n PRO 229 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2jtc n SER 230 N -0.44 4.64 -0.01 3.54 7.64 -1.26 -4.82 113.62 122.91 2jtc n SER 230 Ca 0.00 -3.68 -0.09 0.00 1.01 0.00 0.00 58.87 56.11 2jtc n SER 230 Cb 0.00 -0.60 0.07 0.00 -1.01 0.00 0.00 64.21 62.68 2jtc n SER 230 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jtc h ALA 231 N 3.08 0.76 -0.00 -0.43 0.00 -2.00 -3.17 119.26 117.50 2jtc h ALA 231 Ca 0.15 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2jtc h ALA 231 Cb 0.49 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2jtc h ALA 231 CO 0.84 0.67 -0.74 1.28 0.00 0.00 0.00 179.25 181.30 2jtc n LEU 232 N -4.00 0.89 0.00 0.00 4.32 -1.26 -5.08 117.00 111.86 2jtc n LEU 232 Ca -0.02 -0.53 0.00 0.00 -0.02 0.00 0.00 56.01 55.44 2jtc n LEU 232 Cb 0.56 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.36 2jtc n LEU 232 CO 0.46 0.21 0.00 0.61 -1.22 0.00 0.00 177.39 177.45 2jtc n GLY 233 N 1.37 -1.03 2.11 -0.72 0.00 -1.20 -3.87 105.19 101.86 2jtc n GLY 233 Ca 0.04 -1.10 -0.25 0.00 0.00 0.00 0.00 46.02 44.71 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 -1.13 3.22 -2.81 2.61 -2.24 -1.26 -4.86 114.28 107.82 2jtc n THR 234 Ca 0.00 -2.42 -0.10 0.00 -2.27 0.00 0.00 64.05 59.26 2jtc n THR 234 Cb 0.00 -0.68 0.04 0.00 -2.10 0.00 0.00 70.33 67.59 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 -1.06 1.50 3.70 3.38 0.00 -1.25 -5.02 105.19 106.45 2jtc n GLY 235 Ca 0.57 -2.11 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 2jtc n GLY 235 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jtc s GLY 236 N -3.42 1.55 0.00 -0.02 0.00 -1.26 -4.80 107.32 99.37 2jtc s GLY 236 Ca 0.30 1.30 0.00 0.00 0.00 0.00 0.00 44.72 46.32 2jtc s GLY 236 CO 0.20 2.77 0.00 0.61 0.00 0.00 0.00 173.10 176.68 2jtc n GLY 237 N 3.89 0.98 3.47 0.20 0.00 -1.26 -5.11 105.19 107.36 2jtc n GLY 237 Ca 0.15 -1.91 -0.29 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.00 -0.25 -0.47 4.61 0.00 -1.26 -5.02 121.76 118.36 2jtc s ALA 238 Ca 0.00 -0.49 0.06 0.00 0.00 0.00 0.00 51.96 51.53 2jtc s ALA 238 Cb 0.00 -3.09 0.22 0.00 0.00 0.00 0.00 23.12 20.25 2jtc s ALA 238 CO 0.00 -3.91 0.68 0.41 0.00 0.00 0.00 175.76 172.94 2jtc n GLY 239 N 0.44 0.74 0.38 0.00 0.00 -1.26 -4.78 105.19 100.71 2jtc n GLY 239 Ca 0.07 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 2.18 0.89 3.71 -0.02 0.00 -1.26 -5.04 105.19 105.65 2jtc n GLY 240 Ca 0.17 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 2jtc n GLY 240 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2jtc s PHE 241 N -2.00 3.08 -0.39 1.61 2.19 -1.26 -4.95 117.98 116.26 2jtc s PHE 241 Ca 0.00 0.81 0.01 0.00 0.33 0.00 0.00 56.93 58.08 2jtc s PHE 241 Cb 0.00 -3.76 0.12 0.00 -1.31 0.00 0.00 43.02 38.08 2jtc s PHE 241 CO 0.00 -2.74 0.18 1.21 1.83 0.00 0.00 175.22 175.70 2jtc s ASN 242 N 1.34 3.77 -0.15 6.13 3.04 -1.26 -3.98 114.94 123.84 2jtc s ASN 242 Ca 0.66 -2.25 0.00 0.00 0.04 0.00 0.00 52.86 51.32 2jtc s ASN 242 Cb -0.38 -0.95 -0.09 0.00 -1.54 0.00 0.00 41.25 38.29 2jtc s ASN 242 CO 0.30 -0.32 -0.14 0.61 -3.04 0.00 0.00 177.10 174.51 2jtc n GLY 243 N 4.04 -0.21 2.44 1.21 0.00 -1.26 -4.85 105.19 106.56 2jtc n GLY 243 Ca 0.05 -0.09 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 2jtc n GLY 243 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2jtc n TYR 244 N -2.99 0.15 -3.44 1.61 4.02 -1.26 -4.98 117.16 110.28 2jtc n TYR 244 Ca -0.26 -3.58 -0.38 0.00 -0.01 0.00 0.00 57.90 53.67 2jtc n TYR 244 Cb 0.77 -0.06 -0.06 0.00 -0.02 0.00 0.00 39.34 39.98 2jtc n TYR 244 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 2jtc s GLN 245 N -0.61 4.00 0.25 -0.72 0.74 -1.26 -3.80 119.66 118.27 2jtc s GLN 245 Ca 0.32 0.50 -0.17 0.00 0.05 0.00 0.00 55.36 56.07 2jtc s GLN 245 Cb 0.06 -3.22 0.01 0.00 1.10 0.00 0.00 33.01 30.96 2jtc s GLN 245 CO -0.17 0.68 0.58 -1.54 -0.55 0.00 0.00 175.29 174.29 2jtc s SER 246 N -1.10 -0.18 0.09 6.67 1.04 -1.10 -1.04 113.70 118.09 2jtc s SER 246 Ca 0.25 -0.75 -0.02 0.00 0.48 0.00 0.00 55.95 55.91 2jtc s SER 246 Cb -0.17 0.64 -0.03 0.00 0.10 0.00 0.00 66.02 66.55 2jtc s SER 246 CO 0.15 -1.21 0.05 0.00 0.98 0.00 0.00 173.24 173.21 2jtc s ALA 247 N -3.96 0.55 -0.16 5.32 0.00 0.73 -2.25 121.76 121.98 2jtc s ALA 247 Ca 0.16 -1.24 -0.00 0.00 0.00 0.00 0.00 51.96 50.89 2jtc s ALA 247 Cb -0.03 0.58 0.00 0.00 0.00 0.00 0.00 23.12 23.67 2jtc s ALA 247 CO 0.07 -0.45 -0.15 0.08 0.00 0.00 0.00 175.76 175.31 2jtc s VAL 248 N -3.97 2.63 -0.02 0.00 1.01 0.21 0.29 120.40 120.55 2jtc s VAL 248 Ca 0.14 -0.77 0.07 0.00 0.00 0.00 0.00 61.98 61.42 2jtc s VAL 248 Cb 0.07 -2.12 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 2jtc s VAL 248 CO -0.05 0.51 -0.22 0.68 0.00 0.00 0.00 175.10 176.03 2jtc s VAL 249 N 0.95 1.72 0.00 2.92 -7.23 -0.35 -1.46 120.40 116.95 2jtc s VAL 249 Ca -0.03 -0.93 0.00 0.00 -1.81 0.00 0.00 61.98 59.21 2jtc s VAL 249 Cb -0.15 -1.43 0.00 0.00 0.56 0.00 0.00 36.38 35.36 2jtc s VAL 249 CO -0.02 0.49 0.00 0.61 -0.31 0.00 0.00 175.10 175.86 2jtc n GLY 250 N 2.55 0.54 3.35 2.32 0.00 -1.26 -3.04 105.19 109.65 2jtc n GLY 250 Ca -0.15 -0.23 -0.46 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.79 5.44 -0.12 -0.61 1.01 -1.26 -2.47 121.20 121.39 2jtc s ILE 251 Ca 0.00 -2.23 -0.30 0.00 0.00 0.00 0.00 60.65 58.12 2jtc s ILE 251 Cb 0.00 -4.50 0.09 0.00 0.01 0.00 0.00 42.46 38.06 2jtc s ILE 251 CO 0.00 -1.09 0.81 -1.59 0.00 0.00 0.00 174.94 173.08 2jtc s LYS 252 N 0.69 0.85 0.00 2.79 -2.85 -1.26 -4.91 119.74 115.05 2jtc s LYS 252 Ca 0.19 0.32 0.27 0.00 -1.00 0.00 0.00 55.97 55.74 2jtc s LYS 252 Cb -0.11 0.40 1.60 0.00 -2.06 0.00 0.00 37.83 37.66 2jtc s LYS 252 CO -0.08 -0.24 1.95 -0.35 0.10 0.00 0.00 175.35 176.73