#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 1.80 -0.14 3.69 0.04 -1.26 -4.19 135.00 134.94 2jtc s PRO 2 Ca 0.00 0.15 -0.11 0.00 0.04 0.00 0.00 61.00 61.08 2jtc s PRO 2 Cb 0.00 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.57 2jtc s PRO 2 CO 0.00 -1.72 0.21 0.08 0.04 0.00 0.00 177.00 175.62 2jtc s VAL 3 N -3.51 5.37 -0.08 -0.36 1.01 -1.26 -2.46 120.40 119.10 2jtc s VAL 3 Ca 0.62 0.38 0.03 0.00 0.00 0.00 0.00 61.98 63.01 2jtc s VAL 3 Cb -0.12 -3.52 0.01 0.00 0.00 0.00 0.00 36.38 32.74 2jtc s VAL 3 CO 0.50 0.50 -0.18 -0.69 0.00 0.00 0.00 175.10 175.23 2jtc s VAL 4 N -0.22 1.58 1.07 2.92 1.01 0.69 -4.85 120.40 122.61 2jtc s VAL 4 Ca 0.14 -0.75 -0.18 0.00 0.00 0.00 0.00 61.98 61.20 2jtc s VAL 4 Cb -0.13 -1.40 0.25 0.00 0.00 0.00 0.00 36.38 35.11 2jtc s VAL 4 CO 0.03 0.45 1.28 -0.54 0.00 0.00 0.00 175.10 176.33 2jtc s LYS 5 N 0.46 -0.24 -0.58 2.72 -0.14 -1.26 0.15 119.74 120.85 2jtc s LYS 5 Ca -0.16 -0.41 -0.28 0.00 -1.36 0.00 0.00 55.97 53.76 2jtc s LYS 5 Cb -0.16 -1.74 0.02 0.00 -1.68 0.00 0.00 37.83 34.26 2jtc s LYS 5 CO 0.06 -3.00 1.34 -1.12 -0.76 0.00 0.00 175.35 171.87 2jtc s SER 6 N -4.65 6.22 0.09 2.83 0.01 -1.20 -3.39 113.70 113.60 2jtc s SER 6 Ca 0.75 0.17 -0.31 0.00 1.31 0.00 0.00 55.95 57.87 2jtc s SER 6 Cb -0.04 -2.55 -0.15 0.00 0.21 0.00 0.00 66.02 63.49 2jtc s SER 6 CO 0.54 -1.66 1.63 -0.07 0.41 0.00 0.00 173.24 174.09 2jtc h LEU 7 N 12.77 -0.82 -1.32 2.44 3.38 0.34 1.23 115.31 133.34 2jtc h LEU 7 Ca -0.26 0.05 0.12 0.00 0.09 0.00 0.00 57.88 57.88 2jtc h LEU 7 Cb 1.08 0.25 -0.06 0.00 0.09 0.00 0.00 40.66 42.02 2jtc h LEU 7 CO 1.19 -0.49 0.55 -0.07 0.09 0.00 0.00 178.44 179.71 2jtc h LEU 8 N -0.76 0.66 -0.37 1.67 3.38 -1.89 0.45 115.31 118.45 2jtc h LEU 8 Ca -0.05 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 2jtc h LEU 8 Cb 0.64 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 2jtc h LEU 8 CO 0.03 0.36 -0.20 -0.78 0.09 0.00 0.00 178.44 177.94 2jtc h ASP 9 N 0.71 0.82 0.00 -0.43 3.58 -1.49 1.14 116.42 120.75 2jtc h ASP 9 Ca 0.41 -0.41 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2jtc h ASP 9 Cb 0.58 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.41 2jtc h ASP 9 CO -0.17 1.05 0.05 -1.54 -2.88 0.00 0.00 179.24 175.75 2jtc n SER 10 N -4.26 0.54 -0.10 2.28 3.41 0.41 0.06 113.62 115.96 2jtc n SER 10 Ca -0.02 0.74 0.10 0.00 -0.26 0.00 0.00 58.87 59.42 2jtc n SER 10 Cb 0.42 -0.79 0.14 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 -2.25 1.25 -3.89 4.33 5.02 -0.77 -4.95 118.16 116.90 2jtc n LYS 11 Ca -0.01 -2.56 -0.31 0.00 -2.02 0.00 0.00 58.31 53.41 2jtc n LYS 11 Cb 0.09 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.59 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 -1.39 -0.45 3.54 0.72 0.00 0.11 -4.62 105.19 103.09 2jtc n GLY 12 Ca 0.16 0.09 -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 -3.02 4.37 -0.34 -0.61 1.01 0.38 -2.26 121.20 120.73 2jtc s ILE 13 Ca 0.60 0.47 -0.01 0.00 0.00 0.00 0.00 60.65 61.71 2jtc s ILE 13 Cb -0.33 -4.53 0.12 0.00 0.01 0.00 0.00 42.46 37.72 2jtc s ILE 13 CO 0.73 -1.07 0.16 -1.00 0.00 0.00 0.00 174.94 173.77 2jtc s HIS 14 N 4.01 1.27 0.61 3.97 3.76 0.77 -4.60 115.29 125.08 2jtc s HIS 14 Ca 0.33 -1.70 0.08 0.00 -0.15 0.00 0.00 55.06 53.63 2jtc s HIS 14 Cb -0.11 -1.41 0.10 0.00 1.11 0.00 0.00 32.58 32.26 2jtc s HIS 14 CO 0.22 -0.84 0.84 0.71 -0.85 0.00 0.00 174.74 174.82 2jtc s TYR 15 N 1.30 1.32 0.27 1.40 2.02 -1.25 -3.21 117.35 119.19 2jtc s TYR 15 Ca 0.13 -0.69 0.01 0.00 -0.37 0.00 0.00 57.07 56.15 2jtc s TYR 15 Cb -0.20 -2.30 -0.00 0.00 -0.40 0.00 0.00 41.96 39.05 2jtc s TYR 15 CO -0.16 -1.29 0.33 -1.71 -1.57 0.00 0.00 175.55 171.15 2jtc n ASN 16 N -2.35 -0.90 -0.00 2.29 2.85 -1.26 -1.09 115.26 114.80 2jtc n ASN 16 Ca 0.16 -2.53 0.02 0.00 -0.11 0.00 0.00 54.58 52.12 2jtc n ASN 16 Cb 0.62 1.76 -0.03 0.00 1.24 0.00 0.00 39.78 43.37 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 -0.46 1.25 -0.02 1.20 6.02 -1.26 -4.77 117.38 119.35 2jtc n GLN 17 Ca 0.02 -0.03 -0.03 0.00 -0.01 0.00 0.00 57.00 56.96 2jtc n GLN 17 Cb 0.46 -1.00 -0.02 0.00 1.02 0.00 0.00 30.24 30.69 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 2.05 -0.07 0.00 1.08 0.00 -1.26 -1.15 105.19 105.84 2jtc n GLY 18 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.53 0.00 0.00 1.61 4.05 -1.26 -3.48 115.26 113.65 2jtc n ASN 19 Ca -0.07 0.00 0.08 0.00 0.45 0.00 0.00 54.58 55.04 2jtc n ASN 19 Cb 0.58 0.00 0.46 0.00 1.23 0.00 0.00 39.78 42.05 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 0.10 1.20 -0.04 -1.26 -2.43 135.00 133.25 2jtc n PRO 20 Ca 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.43 2jtc n PRO 20 Cb 0.00 -1.35 -0.03 0.00 -0.04 0.00 0.00 33.50 32.08 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 0.00 -0.60 0.54 -1.99 -1.86 -3.17 116.97 109.89 2jtc h TYR 21 Ca 0.00 0.00 -0.15 0.00 2.00 0.00 0.00 58.73 60.58 2jtc h TYR 21 Cb 0.00 0.00 -0.09 0.00 2.00 0.00 0.00 36.73 38.64 2jtc h TYR 21 CO 0.00 0.77 0.18 0.27 -0.00 0.00 0.00 178.16 179.39 2jtc n ASN 22 N -3.33 4.50 0.00 3.88 6.94 -1.02 -4.27 115.26 121.96 2jtc n ASN 22 Ca 0.01 -2.96 0.12 0.00 -0.02 0.00 0.00 54.58 51.73 2jtc n ASN 22 Cb 0.83 -0.70 0.64 0.00 -2.36 0.00 0.00 39.78 38.19 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 0.05 0.00 0.00 -4.53 4.77 -1.20 -3.07 117.00 113.02 2jtc n LEU 23 Ca 0.32 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.58 2jtc n LEU 23 Cb 1.19 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 42.00 2jtc n LEU 23 CO 0.35 -0.05 0.42 0.18 -1.33 0.00 0.00 177.39 176.96 2jtc n LEU 24 N -1.28 1.40 -4.88 2.23 4.77 -1.26 -4.99 117.00 112.99 2jtc n LEU 24 Ca 0.12 -1.40 -0.30 0.00 -0.03 0.00 0.00 56.01 54.40 2jtc n LEU 24 Cb 0.20 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.30 2jtc n LEU 24 CO 0.19 0.35 0.65 0.42 -1.33 0.00 0.00 177.39 177.67 2jtc s THR 25 N -0.68 4.54 0.04 -5.08 -4.23 -1.17 -4.77 115.64 104.28 2jtc s THR 25 Ca 0.00 0.62 -0.31 0.00 -1.18 0.00 0.00 61.69 60.82 2jtc s THR 25 Cb 0.00 -3.79 -0.07 0.00 1.34 0.00 0.00 72.50 69.98 2jtc s THR 25 CO 0.00 -0.97 1.46 -2.16 -0.54 0.00 0.00 174.62 172.41 2jtc s PRO 26 N -5.09 4.27 0.52 3.99 0.04 -1.26 -4.60 135.00 132.87 2jtc s PRO 26 Ca 0.54 2.08 -0.19 0.00 0.04 0.00 0.00 61.00 63.47 2jtc s PRO 26 Cb -0.11 -3.51 -0.07 0.00 0.04 0.00 0.00 34.50 30.86 2jtc s PRO 26 CO 0.51 -0.59 1.05 0.08 0.04 0.00 0.00 177.00 178.09 2jtc s VAL 27 N 2.18 3.78 0.40 -0.36 1.01 -1.26 -1.50 120.40 124.65 2jtc s VAL 27 Ca 0.66 1.03 -0.23 0.00 0.00 0.00 0.00 61.98 63.44 2jtc s VAL 27 Cb -0.35 -3.43 -0.10 0.00 0.00 0.00 0.00 36.38 32.51 2jtc s VAL 27 CO 0.29 -0.32 0.99 -0.63 0.00 0.00 0.00 175.10 175.43 2jtc s ILE 28 N -2.12 4.04 0.00 2.22 1.01 0.20 -4.80 121.20 121.74 2jtc s ILE 28 Ca 0.66 1.46 0.00 0.00 0.00 0.00 0.00 60.65 62.78 2jtc s ILE 28 Cb -0.16 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.60 2jtc s ILE 28 CO 0.25 -0.08 0.00 -0.62 0.00 0.00 0.00 174.94 174.49 2jtc n GLU 29 N -0.19 1.96 -4.67 2.79 1.02 -1.12 -0.92 120.64 119.51 2jtc n GLU 29 Ca 0.05 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.90 2jtc n GLU 29 Cb 0.51 -0.84 -0.10 0.00 -0.02 0.00 0.00 31.44 30.99 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 -1.39 2.04 0.00 3.49 1.02 0.35 -4.82 119.74 120.42 2jtc s LYS 30 Ca 0.00 -2.21 0.05 0.00 0.02 0.00 0.00 55.97 53.83 2jtc s LYS 30 Cb 0.00 -1.59 -0.03 0.00 -0.52 0.00 0.00 37.83 35.69 2jtc s LYS 30 CO 0.00 -0.16 -0.14 0.08 -0.92 0.00 0.00 175.35 174.21 2jtc s VAL 31 N -2.78 3.05 0.00 3.17 1.01 -1.26 -4.30 120.40 119.31 2jtc s VAL 31 Ca 0.25 -0.93 -0.30 0.00 0.00 0.00 0.00 61.98 60.99 2jtc s VAL 31 Cb 0.07 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 2jtc s VAL 31 CO 0.13 0.44 1.11 -0.75 0.00 0.00 0.00 175.10 176.03 2jtc s LYS 32 N -1.17 4.46 -0.12 2.72 2.20 -1.11 -4.77 119.74 121.94 2jtc s LYS 32 Ca 0.14 1.60 -0.29 0.00 -0.36 0.00 0.00 55.97 57.06 2jtc s LYS 32 Cb -0.11 -3.44 -0.04 0.00 -1.51 0.00 0.00 37.83 32.74 2jtc s LYS 32 CO 0.04 -0.23 1.56 -1.25 -0.36 0.00 0.00 175.35 175.11 2jtc s PRO 33 N 1.34 4.09 0.00 4.03 0.04 -1.26 -2.28 135.00 140.95 2jtc s PRO 33 Ca 0.55 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.52 2jtc s PRO 33 Cb -0.25 -3.95 0.00 0.00 0.04 0.00 0.00 34.50 30.34 2jtc s PRO 33 CO 0.26 -0.94 0.00 0.41 0.04 0.00 0.00 177.00 176.78 2jtc n GLY 34 N 4.16 1.21 3.62 0.56 0.00 -1.26 -5.09 105.19 108.39 2jtc n GLY 34 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.22 1.78 1.16 1.61 2.12 -0.97 -5.17 118.70 119.01 2jtc s GLU 35 Ca 0.00 -1.40 -0.19 0.00 0.36 0.00 0.00 54.97 53.73 2jtc s GLU 35 Cb 0.00 0.50 0.29 0.00 0.26 0.00 0.00 34.13 35.18 2jtc s GLU 35 CO 0.00 -0.77 1.05 1.04 -0.54 0.00 0.00 175.26 176.05 2jtc n GLN 36 N -0.46 -2.94 -3.17 4.30 6.02 -1.26 -4.75 117.38 115.12 2jtc n GLN 36 Ca -0.02 -1.68 -0.39 0.00 -0.01 0.00 0.00 57.00 54.90 2jtc n GLN 36 Cb 0.61 -1.54 -0.06 0.00 1.02 0.00 0.00 30.24 30.27 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 -4.39 7.16 -0.13 1.08 0.15 -1.26 -4.35 113.70 111.97 2jtc s SER 37 Ca 0.68 1.37 0.15 0.00 0.70 0.00 0.00 55.95 58.85 2jtc s SER 37 Cb -0.06 -2.41 0.30 0.00 -1.71 0.00 0.00 66.02 62.15 2jtc s SER 37 CO 0.52 0.23 1.15 0.49 1.20 0.00 0.00 173.24 176.83 2jtc n PHE 38 N 1.84 0.00 -2.27 3.44 3.72 -1.26 -5.05 117.46 117.87 2jtc n PHE 38 Ca -0.08 -0.99 -0.37 0.00 -0.05 0.00 0.00 57.45 55.96 2jtc n PHE 38 Cb 0.50 -0.17 -0.01 0.00 -0.94 0.00 0.00 39.48 38.86 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 -2.39 3.14 0.00 -4.37 1.01 -1.26 -2.42 120.40 114.10 2jtc s VAL 39 Ca 0.30 0.85 0.00 0.00 0.00 0.00 0.00 61.98 63.13 2jtc s VAL 39 Cb 0.28 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 33.23 2jtc s VAL 39 CO -0.02 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.67 2jtc n GLY 40 N 0.43 0.87 3.69 4.51 0.00 -0.09 -4.92 105.19 109.67 2jtc n GLY 40 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.06 4.23 -0.35 1.61 -0.21 -1.02 -4.80 119.66 119.08 2jtc s GLN 41 Ca 0.00 0.32 -0.29 0.00 0.02 0.00 0.00 55.36 55.41 2jtc s GLN 41 Cb 0.00 -3.50 -0.00 0.00 1.00 0.00 0.00 33.01 30.50 2jtc s GLN 41 CO 0.00 0.01 1.51 -1.01 -2.12 0.00 0.00 175.29 173.68 2jtc s HIS 42 N 1.12 2.27 0.87 0.91 3.76 -1.26 0.58 115.29 123.54 2jtc s HIS 42 Ca 0.22 0.67 -0.14 0.00 -0.15 0.00 0.00 55.06 55.66 2jtc s HIS 42 Cb -0.15 -4.16 0.01 0.00 1.11 0.00 0.00 32.58 29.39 2jtc s HIS 42 CO 0.09 -2.29 0.48 0.00 -0.85 0.00 0.00 174.74 172.16 2jtc n ALA 43 N 8.88 -2.12 -1.69 -1.40 0.00 -0.56 -4.88 120.51 118.74 2jtc n ALA 43 Ca 0.18 -0.47 -0.30 0.00 0.00 0.00 0.00 53.44 52.85 2jtc n ALA 43 Cb 0.47 -1.84 0.08 0.00 0.00 0.00 0.00 19.45 18.17 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 -2.21 2.42 0.14 0.00 0.00 -1.00 -4.68 121.76 116.42 2jtc s ALA 44 Ca 0.60 -0.34 -0.00 0.00 0.00 0.00 0.00 51.96 52.22 2jtc s ALA 44 Cb -0.26 -3.06 -0.10 0.00 0.00 0.00 0.00 23.12 19.71 2jtc s ALA 44 CO 0.64 -1.62 1.31 1.79 0.00 0.00 0.00 175.76 177.87 2jtc h THR 45 N -1.01 1.49 0.00 0.00 1.35 -1.45 -3.41 112.91 109.87 2jtc h THR 45 Ca -0.47 -2.73 0.00 0.00 -0.55 0.00 0.00 66.41 62.66 2jtc h THR 45 Cb 1.28 2.58 0.00 0.00 -1.73 0.00 0.00 68.15 70.28 2jtc h THR 45 CO 0.62 0.80 0.00 0.61 -0.25 0.00 0.00 175.52 177.30 2jtc n GLY 46 N 1.06 2.51 0.13 5.82 0.00 -1.25 -4.40 105.19 109.05 2jtc n GLY 46 Ca -0.05 -1.49 -0.07 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.25 -0.49 1.61 4.64 -1.83 0.19 113.55 117.42 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 0.16 -0.10 0.00 -0.31 0.00 0.00 62.40 62.15 2jtc h SER 47 CO 0.00 -0.09 -0.30 0.58 -0.87 0.00 0.00 176.83 176.15 2jtc h VAL 48 N -0.01 0.24 -0.13 0.95 2.07 -1.80 0.86 116.25 118.43 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 0.20 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 2jtc h VAL 48 CO -0.26 0.00 0.08 0.00 0.02 0.00 0.00 177.57 177.41 2jtc h ALA 49 N 0.98 0.17 -0.30 1.67 0.00 -1.46 -2.39 119.26 117.92 2jtc h ALA 49 Ca 0.21 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 2jtc h ALA 49 Cb 0.52 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2jtc h ALA 49 CO -0.59 -0.33 0.04 1.15 0.00 0.00 0.00 179.25 179.52 2jtc h THR 50 N 0.16 1.16 -0.52 0.00 2.02 0.10 0.97 112.91 116.79 2jtc h THR 50 Ca 0.05 -0.59 -0.07 0.00 0.77 0.00 0.00 66.41 66.57 2jtc h THR 50 Cb 0.01 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 2jtc h THR 50 CO -0.01 0.21 0.04 0.00 0.37 0.00 0.00 175.52 176.13 2jtc h ALA 51 N 1.62 0.70 0.02 6.16 0.00 0.11 -1.68 119.26 126.19 2jtc h ALA 51 Ca 0.10 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2jtc h ALA 51 Cb 0.22 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2jtc h ALA 51 CO 0.00 0.48 -0.01 1.15 0.00 0.00 0.00 179.25 180.87 2jtc h THR 52 N 0.77 1.51 -0.94 0.00 2.02 -0.90 -2.83 112.91 112.53 2jtc h THR 52 Ca 0.15 -1.75 0.22 0.00 0.77 0.00 0.00 66.41 65.80 2jtc h THR 52 Cb 0.47 2.66 -0.07 0.00 -1.74 0.00 0.00 68.15 69.46 2jtc h THR 52 CO 0.02 0.44 0.62 0.00 0.37 0.00 0.00 175.52 176.97 2jtc h ALA 53 N 0.14 2.18 -0.24 6.16 0.00 0.96 2.80 119.26 131.25 2jtc h ALA 53 Ca -0.00 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 2jtc h ALA 53 Cb 0.74 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2jtc h ALA 53 CO 0.00 -0.50 -0.13 1.96 0.00 0.00 0.00 179.25 180.59 2jtc h GLN 54 N 0.43 0.51 0.00 0.00 4.20 -1.33 0.23 115.11 119.16 2jtc h GLN 54 Ca 0.51 -0.23 -0.03 0.00 0.06 0.00 0.00 58.65 58.96 2jtc h GLN 54 Cb 1.23 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.99 2jtc h GLN 54 CO -0.21 0.78 -0.14 0.82 -0.67 0.00 0.00 178.83 179.40 2jtc h ILE 55 N 0.23 0.39 -0.06 2.54 2.04 0.07 0.24 117.51 122.96 2jtc h ILE 55 Ca 0.05 -0.85 -0.18 0.00 1.00 0.00 0.00 64.86 64.88 2jtc h ILE 55 Cb 0.63 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 38.32 2jtc h ILE 55 CO 0.04 0.14 -0.75 0.24 0.00 0.00 0.00 178.15 177.82 2jtc h MET 56 N 0.00 0.36 -0.04 2.37 2.86 0.54 -2.89 114.93 118.13 2jtc h MET 56 Ca -0.00 -0.31 -0.17 0.00 -2.06 0.00 0.00 59.70 57.17 2jtc h MET 56 Cb 0.61 0.07 0.01 0.00 0.06 0.00 0.00 31.60 32.35 2jtc h MET 56 CO 0.02 0.96 -0.62 -0.22 1.06 0.00 0.00 176.91 178.10 2jtc h LYS 57 N 0.24 0.50 -0.32 1.72 1.63 0.51 0.68 116.57 121.52 2jtc h LYS 57 Ca -0.03 -0.48 0.09 0.00 -0.85 0.00 0.00 60.65 59.38 2jtc h LYS 57 Cb 1.32 0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 33.06 2jtc h LYS 57 CO 0.13 1.12 0.37 -0.92 -3.45 0.00 0.00 179.45 176.69 2jtc h TYR 58 N 0.05 0.00 0.00 1.91 5.03 -0.51 -2.01 116.97 121.45 2jtc h TYR 58 Ca -0.07 0.00 -0.17 0.00 2.58 0.00 0.00 58.73 61.08 2jtc h TYR 58 Cb 1.30 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 39.55 2jtc h TYR 58 CO 0.13 0.00 -1.76 0.72 -1.32 0.00 0.00 178.16 175.93 2jtc n HIS 59 N -3.70 0.00 -3.85 -3.82 8.25 -1.10 -5.01 115.22 105.99 2jtc n HIS 59 Ca 0.05 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.14 2jtc n HIS 59 Cb 0.52 -0.52 0.03 0.00 1.12 0.00 0.00 29.99 31.14 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 -2.33 -4.86 0.00 0.41 3.02 0.24 -4.92 115.26 106.82 2jtc n ASN 60 Ca -0.16 -1.11 0.00 0.00 -0.03 0.00 0.00 54.58 53.29 2jtc n ASN 60 Cb 0.76 -2.51 0.00 0.00 -0.61 0.00 0.00 39.78 37.42 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 -4.34 0.00 -2.12 3.10 9.36 -1.26 -4.80 117.16 117.11 2jtc n TYR 61 Ca -0.12 0.00 -0.41 0.00 3.32 0.00 0.00 57.90 60.69 2jtc n TYR 61 Cb 0.59 -0.09 -0.03 0.00 -0.63 0.00 0.00 39.34 39.18 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 -0.24 3.17 0.48 2.98 0.04 -1.26 -4.77 135.00 135.39 2jtc s PRO 62 Ca 0.00 1.00 0.25 0.00 0.04 0.00 0.00 61.00 62.29 2jtc s PRO 62 Cb 0.00 -4.21 1.21 0.00 0.04 0.00 0.00 34.50 31.53 2jtc s PRO 62 CO 0.00 -2.07 1.96 -0.91 0.04 0.00 0.00 177.00 176.02 2jtc h ASN 63 N 12.91 0.00 -3.38 6.66 4.21 -1.87 -3.38 115.58 130.73 2jtc h ASN 63 Ca -0.30 0.00 -0.47 0.00 1.21 0.00 0.00 56.30 56.75 2jtc h ASN 63 Cb 1.15 0.00 -0.35 0.00 -1.12 0.00 0.00 38.32 38.00 2jtc h ASN 63 CO 1.11 0.18 -0.79 -0.75 -1.29 0.00 0.00 177.43 175.89 2jtc s LYS 64 N -3.98 1.21 1.08 0.81 2.20 -1.26 -1.35 119.74 118.45 2jtc s LYS 64 Ca -0.02 -0.21 -0.14 0.00 -0.36 0.00 0.00 55.97 55.25 2jtc s LYS 64 Cb 0.12 -1.17 0.18 0.00 -1.51 0.00 0.00 37.83 35.45 2jtc s LYS 64 CO 0.61 -0.10 0.68 0.41 -0.36 0.00 0.00 175.35 176.59 2jtc n GLY 65 N 4.24 -1.84 0.11 5.54 0.00 -0.50 -4.83 105.19 107.92 2jtc n GLY 65 Ca -0.20 -0.92 -0.15 0.00 0.00 0.00 0.00 46.02 44.75 2jtc n GLY 65 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2jtc n LEU 66 N -3.41 1.67 -3.69 0.99 0.00 0.26 -4.01 117.00 108.81 2jtc n LEU 66 Ca 0.05 0.08 -0.10 0.00 0.00 0.00 0.00 56.01 56.04 2jtc n LEU 66 Cb 0.56 -0.36 -0.10 0.00 0.00 0.00 0.00 43.42 43.52 2jtc n LEU 66 CO 0.53 0.69 0.10 -0.75 0.00 0.00 0.00 177.39 177.96 2jtc s LYS 67 N -2.54 0.44 1.20 1.96 2.20 -0.04 -4.43 119.74 118.54 2jtc s LYS 67 Ca -0.19 0.84 -0.14 0.00 -0.36 0.00 0.00 55.97 56.11 2jtc s LYS 67 Cb 0.07 0.01 0.30 0.00 -1.51 0.00 0.00 37.83 36.70 2jtc s LYS 67 CO 0.74 -0.15 1.02 -0.51 -0.36 0.00 0.00 175.35 176.09 2jtc s ASP 68 N 1.37 0.70 -0.10 1.43 1.01 -1.26 -3.18 116.67 116.64 2jtc s ASP 68 Ca -0.09 1.33 -0.12 0.00 0.71 0.00 0.00 52.55 54.38 2jtc s ASP 68 Cb -0.08 -2.06 0.03 0.00 1.01 0.00 0.00 42.92 41.83 2jtc s ASP 68 CO -0.13 -4.34 0.32 -0.47 0.21 0.00 0.00 175.17 170.76 2jtc s TYR 69 N -2.49 -0.32 -0.01 4.23 6.14 -0.07 -4.80 117.35 120.03 2jtc s TYR 69 Ca 0.68 0.76 -0.07 0.00 0.64 0.00 0.00 57.07 59.09 2jtc s TYR 69 Cb -0.23 0.12 0.00 0.00 0.42 0.00 0.00 41.96 42.27 2jtc s TYR 69 CO 0.63 -0.21 0.14 -0.08 0.64 0.00 0.00 175.55 176.67 2jtc s THR 70 N -0.10 0.07 0.05 4.34 -1.32 -1.26 0.68 115.64 118.10 2jtc s THR 70 Ca -0.02 -0.58 -0.27 0.00 -1.21 0.00 0.00 61.69 59.60 2jtc s THR 70 Cb -0.03 -0.40 0.07 0.00 -1.51 0.00 0.00 72.50 70.63 2jtc s THR 70 CO 0.01 -0.32 0.66 -0.72 -2.21 0.00 0.00 174.62 172.04 2jtc s TYR 71 N -1.15 -0.58 -0.11 9.09 1.13 -0.87 -4.96 117.35 119.89 2jtc s TYR 71 Ca -0.12 0.70 -0.17 0.00 -1.41 0.00 0.00 57.07 56.07 2jtc s TYR 71 Cb -0.07 0.49 -0.05 0.00 -1.10 0.00 0.00 41.96 41.24 2jtc s TYR 71 CO 0.01 -0.72 0.43 0.99 -2.51 0.00 0.00 175.55 173.75 2jtc s THR 72 N -2.50 5.18 0.47 -3.49 2.01 -1.26 -1.06 115.64 115.00 2jtc s THR 72 Ca -0.04 0.85 -0.20 0.00 0.31 0.00 0.00 61.69 62.60 2jtc s THR 72 Cb -0.01 -3.76 -0.12 0.00 0.01 0.00 0.00 72.50 68.62 2jtc s THR 72 CO -0.02 0.38 0.36 -0.11 -0.69 0.00 0.00 174.62 174.55 2jtc n LEU 73 N 3.34 -0.81 -4.75 4.42 7.94 0.26 -4.85 117.00 122.55 2jtc n LEU 73 Ca -0.09 0.81 -0.38 0.00 -1.11 0.00 0.00 56.01 55.23 2jtc n LEU 73 Cb 0.52 -1.05 0.04 0.00 0.53 0.00 0.00 43.42 43.45 2jtc n LEU 73 CO 0.41 -3.43 0.96 -0.55 -1.11 0.00 0.00 177.39 173.67 2jtc s SER 74 N -1.02 5.32 0.00 1.96 0.15 -1.26 -4.83 113.70 114.01 2jtc s SER 74 Ca 0.63 2.69 0.19 0.00 0.70 0.00 0.00 55.95 60.16 2jtc s SER 74 Cb -0.55 -2.63 1.12 0.00 -1.71 0.00 0.00 66.02 62.25 2jtc s SER 74 CO 0.59 -1.53 1.53 -1.20 1.20 0.00 0.00 173.24 173.83 2jtc n SER 75 N -1.05 0.00 -0.19 5.45 7.64 -1.26 -2.09 113.62 122.13 2jtc n SER 75 Ca 0.10 -0.71 0.11 0.00 1.01 0.00 0.00 58.87 59.38 2jtc n SER 75 Cb 0.46 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.60 2jtc n SER 75 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2jtc n ASN 76 N -0.95 1.36 -4.60 6.43 5.15 -1.26 -4.88 115.26 116.51 2jtc n ASN 76 Ca 0.14 -1.16 -0.43 0.00 -0.60 0.00 0.00 54.58 52.53 2jtc n ASN 76 Cb 0.06 0.77 -0.03 0.00 -0.53 0.00 0.00 39.78 40.06 2jtc n ASN 76 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 2jtc s ASN 77 N -2.80 6.01 -0.06 1.20 3.84 -0.89 -4.84 114.94 117.40 2jtc s ASN 77 Ca 0.12 1.10 0.08 0.00 0.21 0.00 0.00 52.86 54.38 2jtc s ASN 77 Cb 0.17 -2.53 0.35 0.00 -0.55 0.00 0.00 41.25 38.69 2jtc s ASN 77 CO 0.75 -1.65 1.16 -0.81 -2.79 0.00 0.00 177.10 173.75 2jtc n PRO 78 N 8.36 2.38 -0.02 0.43 -0.04 -1.26 -3.96 135.00 140.90 2jtc n PRO 78 Ca 0.21 -1.37 0.02 0.00 -0.04 0.00 0.00 63.50 62.31 2jtc n PRO 78 Cb 0.47 -1.61 -0.08 0.00 -0.04 0.00 0.00 33.50 32.25 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 0.39 0.00 -4.43 0.54 4.01 -1.26 -2.74 117.16 113.67 2jtc n TYR 79 Ca 0.12 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.62 2jtc n TYR 79 Cb 0.52 -0.31 -0.09 0.00 -0.31 0.00 0.00 39.34 39.14 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 -2.53 2.41 0.00 -0.72 0.40 -1.25 0.13 117.98 116.42 2jtc s PHE 80 Ca -0.04 -0.32 0.00 0.00 -0.60 0.00 0.00 56.93 55.96 2jtc s PHE 80 Cb 0.05 -1.10 0.00 0.00 0.51 0.00 0.00 43.02 42.48 2jtc s PHE 80 CO 0.41 0.67 0.43 0.09 0.70 0.00 0.00 175.22 177.52 2jtc n ASN 81 N -0.72 0.00 0.00 1.36 3.02 -1.26 -4.91 115.26 112.75 2jtc n ASN 81 Ca -0.05 0.43 0.00 0.00 -0.03 0.00 0.00 54.58 54.93 2jtc n ASN 81 Cb 0.60 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.77 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 -0.68 0.00 -0.92 3.10 8.25 -1.26 -4.97 115.22 118.74 2jtc n HIS 82 Ca 0.00 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.25 2jtc n HIS 82 Cb 0.00 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.03 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 2.29 -3.63 -0.41 -0.04 -1.26 -4.14 135.00 127.81 2jtc n PRO 83 Ca 0.00 -1.35 -0.40 0.00 -0.04 0.00 0.00 63.50 61.71 2jtc n PRO 83 Cb 0.00 -2.29 -0.11 0.00 -0.04 0.00 0.00 33.50 31.07 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 2.14 2.65 -0.09 0.54 2.47 -1.26 -4.97 119.74 121.21 2jtc s LYS 84 Ca 0.54 -1.33 -0.06 0.00 -1.56 0.00 0.00 55.97 53.56 2jtc s LYS 84 Cb 0.19 -3.71 -0.04 0.00 -1.46 0.00 0.00 37.83 32.81 2jtc s LYS 84 CO -0.03 -0.85 0.15 -0.80 0.16 0.00 0.00 175.35 173.98 2jtc s ASN 85 N 1.87 6.37 -0.15 1.43 0.01 -1.26 0.93 114.94 124.14 2jtc s ASN 85 Ca 0.02 0.43 0.01 0.00 -0.71 0.00 0.00 52.86 52.62 2jtc s ASN 85 Cb -0.22 -2.04 0.00 0.00 0.41 0.00 0.00 41.25 39.40 2jtc s ASN 85 CO 0.03 0.37 -0.19 -0.76 -1.51 0.00 0.00 177.10 175.05 2jtc s LEU 86 N -1.26 2.28 -0.12 0.60 1.02 -0.22 -4.94 118.68 116.05 2jtc s LEU 86 Ca 0.18 -0.54 0.03 0.00 0.02 0.00 0.00 54.13 53.82 2jtc s LEU 86 Cb -0.12 -1.50 0.00 0.00 0.02 0.00 0.00 46.19 44.59 2jtc s LEU 86 CO 0.08 0.09 -0.23 0.12 0.02 0.00 0.00 176.35 176.42 2jtc s PHE 87 N 0.80 2.59 -0.33 0.29 5.36 -1.26 -2.05 117.98 123.38 2jtc s PHE 87 Ca -0.07 -1.18 -0.07 0.00 -0.96 0.00 0.00 56.93 54.65 2jtc s PHE 87 Cb -0.15 -1.75 0.03 0.00 -0.34 0.00 0.00 43.02 40.80 2jtc s PHE 87 CO -0.01 -0.51 0.11 0.00 -1.46 0.00 0.00 175.22 173.36 2jtc s ALA 88 N 0.56 3.09 -0.35 11.12 0.00 0.21 -4.94 121.76 131.45 2jtc s ALA 88 Ca -0.13 -1.63 -0.05 0.00 0.00 0.00 0.00 51.96 50.15 2jtc s ALA 88 Cb -0.17 -2.27 -0.14 0.00 0.00 0.00 0.00 23.12 20.55 2jtc s ALA 88 CO 0.04 -1.18 2.44 0.00 0.00 0.00 0.00 175.76 177.06 2jtc n ALA 89 N 4.86 4.74 0.16 0.00 0.00 -1.26 -0.89 120.51 128.12 2jtc n ALA 89 Ca -0.13 -1.55 -0.16 0.00 0.00 0.00 0.00 53.44 51.60 2jtc n ALA 89 Cb 0.46 -2.55 -0.08 0.00 0.00 0.00 0.00 19.45 17.28 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 2.69 0.11 -1.55 0.00 2.04 -1.87 0.56 117.51 119.48 2jtc h ILE 90 Ca 0.27 0.00 0.45 0.00 1.00 0.00 0.00 64.86 66.58 2jtc h ILE 90 Cb 0.72 0.11 -0.06 0.00 -0.74 0.00 0.00 36.82 36.85 2jtc h ILE 90 CO 0.72 0.00 1.16 0.77 0.00 0.00 0.00 178.15 180.80 2jtc h SER 91 N -0.75 0.00 -0.34 1.72 4.64 -1.68 2.17 113.55 119.30 2jtc h SER 91 Ca -0.00 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 2jtc h SER 91 Cb 0.73 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.72 2jtc h SER 91 CO -0.20 0.00 -0.11 1.07 -0.87 0.00 0.00 176.83 176.72 2jtc n THR 92 N -3.96 2.55 -2.20 2.95 5.66 0.00 -3.68 114.28 115.60 2jtc n THR 92 Ca 0.34 -2.82 -0.32 0.00 -3.05 0.00 0.00 64.05 58.21 2jtc n THR 92 Cb 1.65 -0.33 -0.02 0.00 -1.55 0.00 0.00 70.33 70.08 2jtc n THR 92 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 2jtc s ARG 93 N -3.27 3.76 -0.70 1.09 1.81 0.72 -4.80 118.95 117.56 2jtc s ARG 93 Ca 0.45 0.93 0.02 0.00 -1.72 0.00 0.00 55.73 55.40 2jtc s ARG 93 Cb 0.41 -2.11 0.17 0.00 -0.45 0.00 0.00 34.95 32.97 2jtc s ARG 93 CO -0.01 -0.43 0.51 -0.65 -0.68 0.00 0.00 175.30 174.04 2jtc s GLN 94 N -4.38 2.59 -0.79 3.54 -1.52 -1.26 -2.92 119.66 114.91 2jtc s GLN 94 Ca 0.58 -3.07 -0.26 0.00 -1.95 0.00 0.00 55.36 50.67 2jtc s GLN 94 Cb -0.11 -3.59 0.04 0.00 -0.22 0.00 0.00 33.01 29.13 2jtc s GLN 94 CO 0.38 -1.23 1.29 0.71 -0.25 0.00 0.00 175.29 176.19 2jtc s TYR 95 N -0.99 2.37 -1.01 0.91 2.02 -0.46 -4.93 117.35 115.27 2jtc s TYR 95 Ca 0.23 -0.27 -0.23 0.00 -0.37 0.00 0.00 57.07 56.43 2jtc s TYR 95 Cb -0.12 -4.62 0.04 0.00 -0.40 0.00 0.00 41.96 36.87 2jtc s TYR 95 CO -0.10 -2.01 1.50 1.21 -1.57 0.00 0.00 175.55 174.58 2jtc s ASN 96 N 3.98 6.37 0.00 2.29 3.84 -1.26 -4.63 114.94 125.53 2jtc s ASN 96 Ca 0.36 -1.39 0.01 0.00 0.21 0.00 0.00 52.86 52.05 2jtc s ASN 96 Cb -0.07 -2.57 0.04 0.00 -0.55 0.00 0.00 41.25 38.10 2jtc s ASN 96 CO 0.09 -1.62 0.97 0.79 -2.79 0.00 0.00 177.10 174.54 2jtc n TRP 97 N 9.37 0.00 0.08 0.43 5.03 -1.26 -0.14 117.44 130.94 2jtc n TRP 97 Ca 0.34 0.00 0.08 0.00 3.03 0.00 0.00 57.50 60.95 2jtc n TRP 97 Cb 0.51 -0.44 -0.03 0.00 -1.03 0.00 0.00 31.31 30.31 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 -1.44 0.80 -0.05 -0.99 4.13 -1.26 -3.98 115.26 112.46 2jtc n ASN 98 Ca 0.00 0.32 0.01 0.00 1.68 0.00 0.00 54.58 56.59 2jtc n ASN 98 Cb 0.01 0.45 -0.16 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 -2.71 0.02 -3.43 6.41 3.02 0.80 -4.56 115.26 114.80 2jtc n ASN 99 Ca -0.03 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.17 2jtc n ASN 99 Cb 0.64 1.52 -0.03 0.00 -0.61 0.00 0.00 39.78 41.30 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 -2.49 2.63 -1.41 2.41 5.41 0.57 -4.58 119.36 121.90 2jtc n ILE 100 Ca -0.18 -1.88 -0.39 0.00 1.00 0.00 0.00 62.75 61.30 2jtc n ILE 100 Cb 0.85 -2.33 0.03 0.00 -0.71 0.00 0.00 39.64 37.47 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 5.52 -0.44 0.16 1.39 4.77 -1.26 -4.86 117.00 122.28 2jtc n LEU 101 Ca 0.52 0.75 0.04 0.00 -0.03 0.00 0.00 56.01 57.28 2jtc n LEU 101 Cb 0.28 -1.08 0.13 0.00 -2.33 0.00 0.00 43.42 40.41 2jtc n LEU 101 CO 0.87 -3.44 0.54 1.55 -1.33 0.00 0.00 177.39 175.58 2jtc h PRO 102 N 0.28 0.00 -3.27 3.23 0.13 -1.82 -3.44 132.00 127.11 2jtc h PRO 102 Ca -0.44 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.40 2jtc h PRO 102 Cb 1.41 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 32.20 2jtc h PRO 102 CO 0.47 0.45 -0.66 -0.08 -0.23 0.00 0.00 178.00 177.95 2jtc s THR 103 N -3.15 -0.12 0.03 1.56 -1.32 -0.96 0.27 115.64 111.94 2jtc s THR 103 Ca 0.03 0.28 0.05 0.00 -1.21 0.00 0.00 61.69 60.84 2jtc s THR 103 Cb 0.08 -0.21 -0.03 0.00 -1.51 0.00 0.00 72.50 70.83 2jtc s THR 103 CO 0.72 0.12 -0.11 -0.31 -2.21 0.00 0.00 174.62 172.83 2jtc s TYR 104 N 1.65 2.77 -2.12 9.09 1.51 -1.20 -4.90 117.35 124.16 2jtc s TYR 104 Ca -0.03 -0.12 0.23 0.00 -1.01 0.00 0.00 57.07 56.14 2jtc s TYR 104 Cb -0.12 -1.54 0.04 0.00 -0.11 0.00 0.00 41.96 40.23 2jtc s TYR 104 CO -0.05 0.34 1.13 -1.13 -1.11 0.00 0.00 175.55 174.73 2jtc n SER 105 N 1.46 2.08 0.00 2.29 3.41 -1.26 -4.92 113.62 116.67 2jtc n SER 105 Ca -0.15 -1.54 0.00 0.00 -0.26 0.00 0.00 58.87 56.92 2jtc n SER 105 Cb 0.52 0.42 0.00 0.00 -0.26 0.00 0.00 64.21 64.90 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 1.41 0.65 0.10 5.00 0.00 -1.26 -4.85 105.19 106.24 2jtc n GLY 106 Ca 0.10 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.67 2.65 -1.03 1.61 1.74 -1.26 -4.89 116.66 112.81 2jtc n ARG 107 Ca 0.00 -1.50 -0.24 0.00 -0.77 0.00 0.00 57.85 55.34 2jtc n ARG 107 Cb 0.00 -1.04 0.19 0.00 -1.02 0.00 0.00 32.46 30.59 2jtc n ARG 107 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2jtc n GLU 108 N -0.30 -2.24 -1.45 5.56 4.71 -1.26 -5.03 120.64 120.64 2jtc n GLU 108 Ca 0.02 -1.47 -0.29 0.00 -0.01 0.00 0.00 57.16 55.41 2jtc n GLU 108 Cb 0.26 -1.25 0.17 0.00 -1.01 0.00 0.00 31.44 29.61 2jtc n GLU 108 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 2jtc s SER 109 N -4.16 2.74 0.14 1.62 1.04 -1.26 -4.90 113.70 108.92 2jtc s SER 109 Ca 0.58 0.81 -0.05 0.00 0.48 0.00 0.00 55.95 57.77 2jtc s SER 109 Cb -0.04 -1.24 -0.06 0.00 0.10 0.00 0.00 66.02 64.78 2jtc s SER 109 CO 0.43 -3.01 1.34 0.78 0.98 0.00 0.00 173.24 173.76 2jtc h ASN 110 N -1.82 0.58 0.18 7.02 4.21 -1.97 -2.73 115.58 121.05 2jtc h ASN 110 Ca -0.49 -0.43 0.01 0.00 1.21 0.00 0.00 56.30 56.60 2jtc h ASN 110 Cb 1.31 -0.17 -0.04 0.00 -1.12 0.00 0.00 38.32 38.29 2jtc h ASN 110 CO 0.52 1.21 -0.51 0.58 -1.29 0.00 0.00 177.43 177.94 2jtc h VAL 111 N 0.29 0.00 -0.53 2.81 2.07 -1.98 2.01 116.25 120.92 2jtc h VAL 111 Ca -0.06 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 2jtc h VAL 111 Cb 1.47 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 2jtc h VAL 111 CO 0.15 0.00 0.20 1.56 0.02 0.00 0.00 177.57 179.50 2jtc h GLN 112 N -0.77 0.77 -0.53 1.57 7.50 -1.81 -0.39 115.11 121.45 2jtc h GLN 112 Ca -0.02 -0.12 -0.05 0.00 0.50 0.00 0.00 58.65 58.97 2jtc h GLN 112 Cb 0.75 -0.14 -0.02 0.00 0.05 0.00 0.00 27.48 28.12 2jtc h GLN 112 CO -0.24 0.64 0.14 0.87 -1.50 0.00 0.00 178.83 178.74 2jtc h LYS 113 N 0.76 0.85 -0.88 1.46 1.57 -0.91 -1.98 116.57 117.44 2jtc h LYS 113 Ca 0.18 -0.20 0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2jtc h LYS 113 Cb 0.17 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 2jtc h LYS 113 CO -0.02 0.80 0.58 1.98 -0.57 0.00 0.00 179.45 182.23 2jtc h MET 114 N 0.74 1.16 0.05 3.15 4.05 0.41 0.19 114.93 124.68 2jtc h MET 114 Ca 0.17 -0.07 -0.00 0.00 -0.28 0.00 0.00 59.70 59.51 2jtc h MET 114 Cb 0.33 -0.26 -0.00 0.00 -0.80 0.00 0.00 31.60 30.87 2jtc h MET 114 CO 0.00 0.77 -0.04 0.00 0.23 0.00 0.00 176.91 177.87 2jtc h ALA 115 N 1.45 -0.88 -0.68 0.39 0.00 -0.35 -1.54 119.26 117.64 2jtc h ALA 115 Ca 0.32 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.26 2jtc h ALA 115 Cb -0.14 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 2jtc h ALA 115 CO -0.07 -0.88 0.41 0.97 0.00 0.00 0.00 179.25 179.68 2jtc h ILE 116 N -0.08 1.05 -0.98 0.00 6.09 -1.45 -1.59 117.51 120.54 2jtc h ILE 116 Ca -0.01 -0.27 0.20 0.00 -1.37 0.00 0.00 64.86 63.41 2jtc h ILE 116 Cb 0.07 0.19 -0.11 0.00 0.47 0.00 0.00 36.82 37.44 2jtc h ILE 116 CO 0.00 0.14 0.57 0.77 -3.07 0.00 0.00 178.15 176.57 2jtc h SER 117 N 0.79 0.70 -0.04 2.19 4.64 -0.90 0.21 113.55 121.13 2jtc h SER 117 Ca 0.29 0.11 -0.02 0.00 -0.47 0.00 0.00 61.79 61.70 2jtc h SER 117 Cb 0.09 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.17 2jtc h SER 117 CO -0.14 0.21 -0.04 -0.08 -0.87 0.00 0.00 176.83 175.92 2jtc h GLU 118 N 0.68 0.10 -0.60 4.77 4.57 -0.34 -1.45 114.58 122.31 2jtc h GLU 118 Ca 0.58 -0.05 0.12 0.00 -1.18 0.00 0.00 59.36 58.83 2jtc h GLU 118 Cb 0.95 0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 29.44 2jtc h GLU 118 CO -0.41 0.55 -0.04 1.25 -1.18 0.00 0.00 179.01 179.18 2jtc h LEU 119 N -0.35 -0.35 0.45 1.64 5.85 -0.30 1.36 115.31 123.60 2jtc h LEU 119 Ca 0.01 0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 2jtc h LEU 119 Cb 0.53 0.29 -0.00 0.00 0.37 0.00 0.00 40.66 41.85 2jtc h LEU 119 CO 0.01 -0.14 -0.27 0.24 -0.34 0.00 0.00 178.44 177.94 2jtc h MET 120 N 0.08 -0.66 -0.27 1.25 2.86 -0.55 0.59 114.93 118.23 2jtc h MET 120 Ca 0.31 0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.95 2jtc h MET 120 Cb 0.49 0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.28 2jtc h MET 120 CO -0.54 -0.44 -0.01 0.00 1.06 0.00 0.00 176.91 176.98 2jtc h ALA 121 N -0.17 1.48 -0.21 6.32 0.00 -0.22 2.36 119.26 128.83 2jtc h ALA 121 Ca -0.05 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 2jtc h ALA 121 Cb 0.55 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2jtc h ALA 121 CO 0.06 0.37 0.06 -0.44 0.00 0.00 0.00 179.25 179.29 2jtc h ASP 122 N 0.40 0.31 0.24 0.00 3.32 0.23 0.18 116.42 121.11 2jtc h ASP 122 Ca 0.09 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 2jtc h ASP 122 Cb 0.28 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.75 2jtc h ASP 122 CO 0.01 0.45 -0.12 0.58 -1.72 0.00 0.00 179.24 178.44 2jtc h VAL 123 N 0.16 0.65 -0.67 -1.35 2.07 0.12 0.15 116.25 117.38 2jtc h VAL 123 Ca 0.07 -0.91 0.13 0.00 0.82 0.00 0.00 66.70 66.81 2jtc h VAL 123 Cb 0.26 1.06 -0.13 0.00 -1.52 0.00 0.00 31.29 30.96 2jtc h VAL 123 CO -0.00 0.15 -0.19 1.23 0.02 0.00 0.00 177.57 178.78 2jtc h GLY 124 N -0.89 0.41 0.82 2.17 0.00 0.40 0.51 103.07 106.49 2jtc h GLY 124 Ca -0.03 0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.53 2jtc h GLY 124 CO 0.05 -0.25 -0.21 -2.22 0.00 0.00 0.00 176.54 173.91 2jtc h ILE 125 N -0.02 0.54 -1.24 2.60 2.04 -0.67 0.42 117.51 121.16 2jtc h ILE 125 Ca 0.32 -0.30 0.36 0.00 1.00 0.00 0.00 64.86 66.23 2jtc h ILE 125 Cb 0.51 0.67 -0.07 0.00 -0.74 0.00 0.00 36.82 37.19 2jtc h ILE 125 CO -0.70 0.05 0.87 0.77 0.00 0.00 0.00 178.15 179.14 2jtc h SER 126 N -0.78 0.13 -0.98 1.72 4.64 0.14 1.17 113.55 119.58 2jtc h SER 126 Ca -0.06 0.03 -0.58 0.00 -0.47 0.00 0.00 61.79 60.71 2jtc h SER 126 Cb 0.54 0.02 -0.30 0.00 -0.31 0.00 0.00 62.40 62.35 2jtc h SER 126 CO 0.10 0.00 0.71 1.33 -0.87 0.00 0.00 176.83 178.10 2jtc n VAL 127 N -4.31 3.36 -4.15 0.95 0.24 0.16 -4.73 118.33 109.86 2jtc n VAL 127 Ca 0.28 -2.40 -0.35 0.00 -2.04 0.00 0.00 64.34 59.84 2jtc n VAL 127 Cb 1.26 -0.76 -0.05 0.00 -1.47 0.00 0.00 33.84 32.81 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 -1.05 -0.84 -4.71 -1.34 8.00 0.40 -4.08 116.55 112.93 2jtc n ASP 128 Ca 0.60 -1.20 -0.42 0.00 0.71 0.00 0.00 54.79 54.48 2jtc n ASP 128 Cb 1.23 -1.48 -0.03 0.00 -0.02 0.00 0.00 41.12 40.82 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 4.25 -0.14 -1.24 1.75 0.14 -4.59 119.30 112.28 2jtc s MET 129 Ca 0.17 2.27 -0.29 0.00 -1.25 0.00 0.00 55.69 56.58 2jtc s MET 129 Cb -0.10 -3.22 -0.01 0.00 2.84 0.00 0.00 34.83 34.34 2jtc s MET 129 CO 0.92 -0.57 1.18 0.34 -0.65 0.00 0.00 175.02 176.25 2jtc s ASP 130 N 1.23 7.03 -0.29 1.11 2.15 0.32 -4.88 116.67 123.34 2jtc s ASP 130 Ca 0.69 1.65 -0.10 0.00 0.43 0.00 0.00 52.55 55.22 2jtc s ASP 130 Cb -0.41 -2.55 -0.02 0.00 -0.30 0.00 0.00 42.92 39.64 2jtc s ASP 130 CO 0.31 -0.67 0.15 -0.31 -0.17 0.00 0.00 175.17 174.48 2jtc s TYR 131 N 2.98 3.17 0.00 -5.34 2.02 -1.26 -2.38 117.35 116.54 2jtc s TYR 131 Ca 0.52 -0.36 0.00 0.00 -0.37 0.00 0.00 57.07 56.87 2jtc s TYR 131 Cb -0.21 -2.35 0.00 0.00 -0.40 0.00 0.00 41.96 39.00 2jtc s TYR 131 CO 0.15 -0.36 0.00 0.41 -1.57 0.00 0.00 175.55 174.18 2jtc n GLY 132 N 5.00 3.77 0.24 0.71 0.00 -1.26 -4.77 105.19 108.88 2jtc n GLY 132 Ca -0.14 -1.13 0.06 0.00 0.00 0.00 0.00 46.02 44.80 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 0.06 -6.21 1.61 0.13 -1.90 -2.65 132.00 123.04 2jtc h PRO 133 Ca 0.00 -0.01 -0.68 0.00 -0.87 0.00 0.00 66.00 64.45 2jtc h PRO 133 Cb 0.00 -0.01 -0.17 0.00 0.13 0.00 0.00 31.00 30.95 2jtc h PRO 133 CO 0.00 0.17 -0.68 -1.12 -0.23 0.00 0.00 178.00 176.13 2jtc s SER 134 N -6.99 4.77 -0.22 1.44 0.01 -1.26 -4.01 113.70 107.44 2jtc s SER 134 Ca -0.05 -0.07 0.01 0.00 1.31 0.00 0.00 55.95 57.15 2jtc s SER 134 Cb 0.16 -1.18 0.05 0.00 0.21 0.00 0.00 66.02 65.27 2jtc s SER 134 CO 0.70 0.31 -0.08 -0.44 0.41 0.00 0.00 173.24 174.13 2jtc s SER 135 N -1.27 3.64 0.03 2.44 0.01 -1.26 -4.65 113.70 112.64 2jtc s SER 135 Ca 0.16 -1.03 0.03 0.00 1.31 0.00 0.00 55.95 56.42 2jtc s SER 135 Cb -0.11 -1.23 -0.04 0.00 0.21 0.00 0.00 66.02 64.85 2jtc s SER 135 CO 0.06 -0.18 -0.01 -0.83 0.41 0.00 0.00 173.24 172.69 2jtc s GLY 136 N 1.38 1.87 0.00 3.44 0.00 -1.00 -3.80 107.32 109.21 2jtc s GLY 136 Ca -0.04 -1.02 0.00 0.00 0.00 0.00 0.00 44.72 43.67 2jtc s GLY 136 CO -0.07 -0.92 0.00 -1.26 0.00 0.00 0.00 173.10 170.85 2jtc n SER 137 N 1.16 2.00 -0.10 1.64 2.88 -1.26 0.12 113.62 120.06 2jtc n SER 137 Ca -0.13 -0.46 -0.19 0.00 -1.33 0.00 0.00 58.87 56.75 2jtc n SER 137 Cb 0.52 0.00 -0.09 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 -3.00 0.79 0.00 -1.46 0.00 -1.26 -2.81 120.51 112.77 2jtc n ALA 138 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.86 2jtc n ALA 138 Cb 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 19.45 19.13 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 1.44 0.47 0.25 0.00 0.00 -1.26 -2.59 105.19 103.50 2jtc n GLY 139 Ca -0.30 -1.50 -0.03 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.68 -1.03 1.61 0.02 -1.92 0.36 113.55 111.91 2jtc h SER 140 Ca 0.00 0.18 0.30 0.00 -0.84 0.00 0.00 61.79 61.42 2jtc h SER 140 Cb 0.00 0.40 -0.13 0.00 0.14 0.00 0.00 62.40 62.81 2jtc h SER 140 CO 0.00 -0.23 0.61 0.77 -1.14 0.00 0.00 176.83 176.85 2jtc h SER 141 N -0.07 0.54 0.13 3.07 4.64 -1.95 2.57 113.55 122.50 2jtc h SER 141 Ca 0.25 0.15 -0.21 0.00 -0.47 0.00 0.00 61.79 61.51 2jtc h SER 141 Cb 0.45 0.08 0.01 0.00 -0.31 0.00 0.00 62.40 62.64 2jtc h SER 141 CO -0.58 -0.02 -1.00 0.03 -0.87 0.00 0.00 176.83 174.39 2jtc h ARG 142 N 0.41 0.29 0.07 4.77 2.47 -1.24 -2.98 114.38 118.17 2jtc h ARG 142 Ca 0.69 -0.49 -0.00 0.00 -1.26 0.00 0.00 59.98 58.92 2jtc h ARG 142 Cb 1.56 0.18 0.00 0.00 -1.65 0.00 0.00 29.97 30.06 2jtc h ARG 142 CO -0.50 1.23 -0.03 0.28 0.56 0.00 0.00 179.97 181.51 2jtc h VAL 143 N -0.35 1.19 -0.71 2.04 2.07 0.23 0.60 116.25 121.32 2jtc h VAL 143 Ca -0.19 -0.99 0.08 0.00 0.82 0.00 0.00 66.70 66.42 2jtc h VAL 143 Cb 1.68 1.82 -0.05 0.00 -1.52 0.00 0.00 31.29 33.23 2jtc h VAL 143 CO 0.12 0.24 0.47 0.06 0.02 0.00 0.00 177.57 178.48 2jtc h GLN 144 N -0.55 0.65 0.03 1.57 -0.00 0.41 0.40 115.11 117.62 2jtc h GLN 144 Ca -0.01 -0.04 -0.09 0.00 -0.00 0.00 0.00 58.65 58.51 2jtc h GLN 144 Cb 0.47 -0.15 0.01 0.00 -0.00 0.00 0.00 27.48 27.81 2jtc h GLN 144 CO 0.02 0.43 -0.36 -0.09 -0.00 0.00 0.00 178.83 178.82 2jtc h ARG 145 N 0.67 0.20 -0.49 0.06 2.43 -1.38 -3.19 114.38 112.67 2jtc h ARG 145 Ca 0.32 -0.25 -0.06 0.00 -0.81 0.00 0.00 59.98 59.18 2jtc h ARG 145 Cb 0.37 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 2jtc h ARG 145 CO -0.11 1.02 0.08 0.00 -1.51 0.00 0.00 179.97 179.45 2jtc h ALA 146 N 0.19 1.22 -0.38 2.80 0.00 0.75 0.51 119.26 124.35 2jtc h ALA 146 Ca -0.05 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.65 2jtc h ALA 146 Cb 1.16 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2jtc h ALA 146 CO 0.07 0.53 0.24 -0.07 0.00 0.00 0.00 179.25 180.02 2jtc h LEU 147 N 0.73 0.41 0.04 0.00 3.38 -0.30 0.27 115.31 119.84 2jtc h LEU 147 Ca 0.16 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.95 2jtc h LEU 147 Cb 0.33 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2jtc h LEU 147 CO 0.00 0.30 -0.89 0.11 0.09 0.00 0.00 178.44 178.05 2jtc h LYS 148 N 0.49 0.09 -0.10 1.13 1.57 -1.49 1.21 116.57 119.48 2jtc h LYS 148 Ca 0.14 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 2jtc h LYS 148 Cb -0.04 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 2jtc h LYS 148 CO -0.04 1.08 -0.14 0.93 -0.57 0.00 0.00 179.45 180.70 2jtc h GLU 149 N -0.75 0.27 0.00 3.15 5.08 -0.01 -2.08 114.58 120.24 2jtc h GLU 149 Ca -0.21 -0.16 -0.15 0.00 -1.00 0.00 0.00 59.36 57.84 2jtc h GLU 149 Cb 1.37 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.61 2jtc h GLU 149 CO -0.04 0.72 -0.98 -0.91 -1.00 0.00 0.00 179.01 176.80 2jtc h ASN 150 N -0.16 0.00 0.68 1.42 -0.26 -0.70 -3.34 115.58 113.22 2jtc h ASN 150 Ca 0.01 -0.35 0.00 0.00 -0.56 0.00 0.00 56.30 55.40 2jtc h ASN 150 Cb 0.69 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.95 2jtc h ASN 150 CO 0.03 1.24 -0.69 0.49 -1.06 0.00 0.00 177.43 177.44 2jtc n PHE 151 N -4.50 0.37 -2.95 1.19 3.72 0.13 -0.57 117.46 114.84 2jtc n PHE 151 Ca -0.23 0.11 -0.17 0.00 -0.05 0.00 0.00 57.45 57.11 2jtc n PHE 151 Cb 0.54 -0.52 0.04 0.00 -0.94 0.00 0.00 39.48 38.60 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 1.38 -0.18 3.48 1.37 0.00 0.31 -4.46 105.19 107.09 2jtc n GLY 152 Ca 0.03 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 2jtc n GLY 152 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jtc s TYR 153 N -3.07 0.93 0.17 1.61 1.51 0.33 -4.80 117.35 114.04 2jtc s TYR 153 Ca 0.28 0.92 -0.33 0.00 -1.01 0.00 0.00 57.07 56.94 2jtc s TYR 153 Cb -0.12 -3.11 -0.16 0.00 -0.11 0.00 0.00 41.96 38.46 2jtc s TYR 153 CO 0.35 -4.03 1.13 -1.71 -1.11 0.00 0.00 175.55 170.17 2jtc n ASN 154 N -4.99 1.19 0.27 2.29 5.15 0.59 -4.64 115.26 115.13 2jtc n ASN 154 Ca 0.06 1.14 0.17 0.00 -0.60 0.00 0.00 54.58 55.35 2jtc n ASN 154 Cb 0.57 -1.20 0.80 0.00 -0.53 0.00 0.00 39.78 39.42 2jtc n ASN 154 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 2jtc h GLN 155 N 3.20 0.00 0.00 1.20 1.08 -1.87 0.12 115.11 118.85 2jtc h GLN 155 Ca -0.43 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.77 2jtc h GLN 155 Cb 1.35 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.78 2jtc h GLN 155 CO 0.69 0.00 0.23 0.66 -0.95 0.00 0.00 178.83 179.46 2jtc h SER 156 N 0.00 0.00 -2.27 1.46 4.64 -1.84 -3.41 113.55 112.13 2jtc h SER 156 Ca 0.05 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.80 2jtc h SER 156 Cb 0.77 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.89 2jtc h SER 156 CO -0.00 0.00 1.06 0.52 -0.87 0.00 0.00 176.83 177.54 2jtc n VAL 157 N -2.41 0.42 -4.00 0.95 0.31 0.42 -4.70 118.33 109.32 2jtc n VAL 157 Ca -0.01 -0.08 -0.08 0.00 -0.01 0.00 0.00 64.34 64.16 2jtc n VAL 157 Cb 0.26 -1.94 -0.09 0.00 -0.91 0.00 0.00 33.84 31.17 2jtc n VAL 157 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 2jtc s HIS 158 N 3.05 0.42 0.15 3.52 -3.43 -1.16 -4.99 115.29 112.85 2jtc s HIS 158 Ca 0.86 -0.88 0.03 0.00 -0.80 0.00 0.00 55.06 54.28 2jtc s HIS 158 Cb -0.59 -0.24 -0.04 0.00 -1.43 0.00 0.00 32.58 30.28 2jtc s HIS 158 CO 0.43 -0.50 0.22 -1.14 -2.00 0.00 0.00 174.74 171.75 2jtc s GLN 159 N -3.92 3.22 -0.02 -0.38 0.74 -1.26 -1.72 119.66 116.32 2jtc s GLN 159 Ca 0.10 -0.70 0.01 0.00 0.05 0.00 0.00 55.36 54.82 2jtc s GLN 159 Cb 0.06 -2.84 0.01 0.00 1.10 0.00 0.00 33.01 31.34 2jtc s GLN 159 CO -0.08 0.51 -0.02 0.96 -0.55 0.00 0.00 175.29 176.12 2jtc s ILE 160 N -1.73 0.22 -0.42 -2.34 -4.36 0.65 -4.91 121.20 108.30 2jtc s ILE 160 Ca 0.33 -0.03 -0.13 0.00 -0.26 0.00 0.00 60.65 60.57 2jtc s ILE 160 Cb -0.11 -0.25 0.05 0.00 1.25 0.00 0.00 42.46 43.41 2jtc s ILE 160 CO 0.26 0.11 0.30 0.20 0.24 0.00 0.00 174.94 176.05 2jtc s ASN 161 N 0.47 5.91 0.27 4.36 0.01 -1.26 0.28 114.94 124.99 2jtc s ASN 161 Ca -0.05 -1.20 0.00 0.00 -0.71 0.00 0.00 52.86 50.91 2jtc s ASN 161 Cb -0.07 -2.09 0.63 0.00 0.41 0.00 0.00 41.25 40.12 2jtc s ASN 161 CO -0.01 -0.51 1.67 -0.09 -1.51 0.00 0.00 177.10 176.65 2jtc h ARG 162 N 8.57 0.27 -0.00 -0.60 9.65 0.13 0.95 114.38 133.35 2jtc h ARG 162 Ca -0.26 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.60 2jtc h ARG 162 Cb 1.10 -0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 29.62 2jtc h ARG 162 CO 0.77 0.18 0.01 0.78 2.80 0.00 0.00 179.97 184.50 2jtc h GLY 163 N 0.28 0.00 -1.60 2.80 0.00 -1.89 -1.85 103.07 100.81 2jtc h GLY 163 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.84 2jtc h GLY 163 CO -0.58 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.18 2jtc n ASP 164 N -3.31 2.73 -4.74 0.19 8.00 0.32 -5.00 116.55 114.75 2jtc n ASP 164 Ca -0.03 -1.81 -0.30 0.00 0.71 0.00 0.00 54.79 53.37 2jtc n ASP 164 Cb 0.08 -0.08 -0.07 0.00 -0.02 0.00 0.00 41.12 41.02 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 -1.40 2.11 -0.18 1.24 0.40 -0.70 -4.98 117.98 114.48 2jtc s PHE 165 Ca 0.25 -0.81 -0.09 0.00 -0.60 0.00 0.00 56.93 55.67 2jtc s PHE 165 Cb 0.16 -1.75 -0.05 0.00 0.51 0.00 0.00 43.02 41.89 2jtc s PHE 165 CO 0.23 0.18 0.12 -1.54 0.70 0.00 0.00 175.22 174.92 2jtc s SER 166 N -3.90 6.18 0.14 1.36 1.04 -1.26 -4.87 113.70 112.39 2jtc s SER 166 Ca 0.22 0.25 -0.03 0.00 0.48 0.00 0.00 55.95 56.87 2jtc s SER 166 Cb 0.03 -2.07 0.26 0.00 0.10 0.00 0.00 66.02 64.35 2jtc s SER 166 CO 0.12 0.22 0.79 1.17 0.98 0.00 0.00 173.24 176.52 2jtc n LYS 167 N 3.27 -0.04 0.30 4.02 4.81 -1.26 0.15 118.16 129.40 2jtc n LYS 167 Ca -0.17 0.78 -0.12 0.00 -0.87 0.00 0.00 58.31 57.94 2jtc n LYS 167 Cb 0.52 -1.18 -0.06 0.00 0.02 0.00 0.00 35.03 34.34 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 -0.75 0.00 1.64 7.50 -2.00 -1.68 115.11 119.83 2jtc h GLN 168 Ca 0.25 0.05 0.00 0.00 0.50 0.00 0.00 58.65 59.46 2jtc h GLN 168 Cb 0.42 0.17 0.00 0.00 0.05 0.00 0.00 27.48 28.12 2jtc h GLN 168 CO -0.51 -0.50 0.00 -0.44 -1.50 0.00 0.00 178.83 175.88 2jtc h ASP 169 N -0.92 0.00 0.04 1.46 3.32 -0.99 -1.06 116.42 118.27 2jtc h ASP 169 Ca -0.08 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 2jtc h ASP 169 Cb 0.59 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.15 2jtc h ASP 169 CO 0.13 0.00 -0.02 -0.25 -1.72 0.00 0.00 179.24 177.38 2jtc h TRP 170 N 0.00 -0.05 -0.32 4.55 -0.00 0.17 -3.03 115.95 117.27 2jtc h TRP 170 Ca 0.00 -0.00 -0.13 0.00 -0.00 0.00 0.00 58.89 58.76 2jtc h TRP 170 Cb 0.10 0.02 -0.01 0.00 -0.00 0.00 0.00 29.16 29.26 2jtc h TRP 170 CO 0.00 0.53 -0.33 0.93 -0.00 0.00 0.00 178.44 179.57 2jtc h GLU 171 N -0.69 0.70 -0.93 2.65 5.08 -0.72 -2.67 114.58 118.00 2jtc h GLU 171 Ca -0.01 -0.33 0.25 0.00 -1.00 0.00 0.00 59.36 58.28 2jtc h GLU 171 Cb 0.61 -0.01 -0.13 0.00 0.50 0.00 0.00 28.75 29.71 2jtc h GLU 171 CO 0.01 0.93 0.42 0.00 -1.00 0.00 0.00 179.01 179.38 2jtc h ALA 172 N 1.04 1.57 -0.68 3.43 0.00 -1.23 1.28 119.26 124.66 2jtc h ALA 172 Ca 0.06 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2jtc h ALA 172 Cb 0.85 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 2jtc h ALA 172 CO 0.07 -0.42 0.40 1.96 0.00 0.00 0.00 179.25 181.27 2jtc h GLN 173 N 0.36 0.93 0.18 0.00 1.08 -1.35 -1.77 115.11 114.54 2jtc h GLN 173 Ca 0.61 -0.09 -0.01 0.00 -1.45 0.00 0.00 58.65 57.71 2jtc h GLN 173 Cb 1.25 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 28.49 2jtc h GLN 173 CO -0.57 0.67 -0.09 0.82 -0.95 0.00 0.00 178.83 178.71 2jtc h ILE 174 N 0.93 0.90 -0.21 2.54 2.04 0.12 -3.01 117.51 120.81 2jtc h ILE 174 Ca 0.24 -0.96 0.05 0.00 1.00 0.00 0.00 64.86 65.20 2jtc h ILE 174 Cb -0.02 1.42 -0.07 0.00 -0.74 0.00 0.00 36.82 37.41 2jtc h ILE 174 CO -0.04 0.20 -0.37 0.44 0.00 0.00 0.00 178.15 178.37 2jtc h ASP 175 N -0.76 -1.18 -0.93 1.72 5.19 0.60 0.16 116.42 121.22 2jtc h ASP 175 Ca -0.02 0.17 0.18 0.00 -0.62 0.00 0.00 57.03 56.74 2jtc h ASP 175 Cb 0.51 0.50 -0.11 0.00 0.18 0.00 0.00 39.33 40.42 2jtc h ASP 175 CO 0.04 -0.38 0.52 0.50 -3.12 0.00 0.00 179.24 176.80 2jtc h LYS 176 N -0.40 0.63 -0.02 3.56 3.64 -1.42 0.89 116.57 123.44 2jtc h LYS 176 Ca 0.11 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2jtc h LYS 176 Cb 0.58 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2jtc h LYS 176 CO -0.43 0.42 0.01 0.93 -2.27 0.00 0.00 179.45 178.11 2jtc h GLU 177 N 0.65 0.03 0.00 1.90 4.39 -0.70 -2.20 114.58 118.65 2jtc h GLU 177 Ca 0.54 -0.00 -0.04 0.00 0.34 0.00 0.00 59.36 60.19 2jtc h GLU 177 Cb 0.86 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.49 2jtc h GLU 177 CO -0.40 0.08 -0.20 -0.07 -1.16 0.00 0.00 179.01 177.26 2jtc h LEU 178 N -0.03 0.00 -1.29 1.33 3.38 0.18 0.04 115.31 118.92 2jtc h LEU 178 Ca 0.01 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.17 2jtc h LEU 178 Cb 0.06 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.73 2jtc h LEU 178 CO -0.00 0.20 0.61 0.77 0.09 0.00 0.00 178.44 180.10 2jtc h SER 179 N 0.00 0.59 -0.91 -0.43 4.64 0.13 0.64 113.55 118.21 2jtc h SER 179 Ca -0.00 0.06 -0.54 0.00 -0.47 0.00 0.00 61.79 60.84 2jtc h SER 179 Cb 0.58 -0.05 -0.28 0.00 -0.31 0.00 0.00 62.40 62.34 2jtc h SER 179 CO 0.03 0.24 0.56 0.00 -0.87 0.00 0.00 176.83 176.78 2jtc n GLN 180 N -4.61 2.43 -4.10 4.77 6.02 -0.97 -4.89 117.38 116.04 2jtc n GLN 180 Ca 0.21 -3.20 -0.30 0.00 -0.01 0.00 0.00 57.00 53.69 2jtc n GLN 180 Cb 0.62 -2.18 -0.04 0.00 1.02 0.00 0.00 30.24 29.65 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 -1.04 -0.52 -3.97 1.08 4.13 0.22 -4.91 115.26 110.26 2jtc n ASN 181 Ca 0.57 -1.15 -0.31 0.00 1.68 0.00 0.00 54.58 55.37 2jtc n ASN 181 Cb 1.20 -2.34 -0.15 0.00 -1.54 0.00 0.00 39.78 36.95 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 -6.95 1.68 1.04 3.52 -0.21 -0.04 -4.96 119.66 113.74 2jtc s GLN 182 Ca 0.08 -1.24 -0.12 0.00 0.02 0.00 0.00 55.36 54.11 2jtc s GLN 182 Cb -0.04 -2.72 0.21 0.00 1.00 0.00 0.00 33.01 31.46 2jtc s GLN 182 CO 0.94 -0.68 1.08 -1.25 -2.12 0.00 0.00 175.29 173.25 2jtc s PRO 183 N 1.25 0.06 -0.06 2.91 0.04 -1.26 -2.89 135.00 135.06 2jtc s PRO 183 Ca -0.02 1.04 0.06 0.00 0.04 0.00 0.00 61.00 62.12 2jtc s PRO 183 Cb -0.19 -1.65 -0.01 0.00 0.04 0.00 0.00 34.50 32.69 2jtc s PRO 183 CO -0.08 -3.12 -0.25 0.08 0.04 0.00 0.00 177.00 173.67 2jtc s VAL 184 N -2.61 2.05 -0.35 -0.36 1.01 -0.53 -4.49 120.40 115.12 2jtc s VAL 184 Ca 0.67 -1.06 -0.27 0.00 0.00 0.00 0.00 61.98 61.32 2jtc s VAL 184 Cb -0.23 -1.74 0.01 0.00 0.00 0.00 0.00 36.38 34.43 2jtc s VAL 184 CO 0.61 0.57 0.97 -0.47 0.00 0.00 0.00 175.10 176.78 2jtc s TYR 185 N -0.12 3.11 0.24 5.22 6.14 0.03 -1.70 117.35 130.26 2jtc s TYR 185 Ca -0.05 0.93 0.11 0.00 0.64 0.00 0.00 57.07 58.69 2jtc s TYR 185 Cb -0.14 -3.64 -0.05 0.00 0.42 0.00 0.00 41.96 38.56 2jtc s TYR 185 CO 0.04 -0.79 -0.19 -0.47 0.64 0.00 0.00 175.55 174.78 2jtc s TYR 186 N 3.51 2.10 -0.29 4.97 6.14 0.01 0.14 117.35 133.94 2jtc s TYR 186 Ca 0.40 -0.41 -0.16 0.00 0.64 0.00 0.00 57.07 57.55 2jtc s TYR 186 Cb -0.12 -0.96 0.14 0.00 0.42 0.00 0.00 41.96 41.44 2jtc s TYR 186 CO 0.17 0.56 0.92 1.14 0.64 0.00 0.00 175.55 178.98 2jtc s GLN 187 N -3.33 0.42 -0.19 4.97 -2.07 -0.81 0.13 119.66 118.78 2jtc s GLN 187 Ca 0.25 0.78 -0.19 0.00 -1.82 0.00 0.00 55.36 54.38 2jtc s GLN 187 Cb -0.05 0.16 -0.03 0.00 -1.09 0.00 0.00 33.01 32.00 2jtc s GLN 187 CO 0.11 -0.10 0.54 0.20 -1.32 0.00 0.00 175.29 174.73 2jtc s GLY 188 N 1.58 2.09 0.32 2.60 0.00 0.55 -2.42 107.32 112.05 2jtc s GLY 188 Ca -0.08 -0.36 0.07 0.00 0.00 0.00 0.00 44.72 44.35 2jtc s GLY 188 CO -0.16 1.11 0.40 0.14 0.00 0.00 0.00 173.10 174.59 2jtc s VAL 189 N 1.62 4.06 0.00 1.40 1.01 0.70 0.24 120.40 129.43 2jtc s VAL 189 Ca 0.25 -1.11 0.00 0.00 0.00 0.00 0.00 61.98 61.12 2jtc s VAL 189 Cb -0.16 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.83 2jtc s VAL 189 CO 0.10 -0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.62 2jtc n GLY 190 N -1.53 3.47 0.10 4.51 0.00 -1.17 -2.32 105.19 108.26 2jtc n GLY 190 Ca -0.02 -0.08 0.01 0.00 0.00 0.00 0.00 46.02 45.93 2jtc n GLY 190 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2jtc h LYS 191 N 0.00 0.00 0.00 1.61 3.11 -1.93 -3.35 116.57 116.00 2jtc h LYS 191 Ca 0.00 0.00 -0.06 0.00 -2.81 0.00 0.00 60.65 57.78 2jtc h LYS 191 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.22 2jtc h LYS 191 CO 0.00 0.30 -0.56 -0.39 -2.81 0.00 0.00 179.45 175.99 2jtc h VAL 192 N 0.00 0.35 0.00 2.00 -1.51 -1.94 -3.49 116.25 111.65 2jtc h VAL 192 Ca -0.13 -1.53 0.00 0.00 -1.23 0.00 0.00 66.70 63.81 2jtc h VAL 192 Cb 1.51 2.04 0.00 0.00 -2.13 0.00 0.00 31.29 32.71 2jtc h VAL 192 CO 0.05 0.20 0.00 0.61 -1.23 0.00 0.00 177.57 177.19 2jtc n GLY 193 N 1.20 1.70 3.62 5.19 0.00 -1.26 -4.27 105.19 111.37 2jtc n GLY 193 Ca 0.01 -1.91 -0.43 0.00 0.00 0.00 0.00 46.02 43.68 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 1.32 -0.77 -0.02 0.00 -1.07 -3.03 107.32 103.76 2jtc s GLY 194 Ca 0.00 -0.08 -0.26 0.00 0.00 0.00 0.00 44.72 44.39 2jtc s GLY 194 CO 0.00 2.56 1.82 -1.58 0.00 0.00 0.00 173.10 175.90 2jtc s HIS 195 N 4.55 1.83 0.42 1.90 2.46 0.67 -4.01 115.29 123.11 2jtc s HIS 195 Ca 0.55 0.55 -0.10 0.00 0.47 0.00 0.00 55.06 56.53 2jtc s HIS 195 Cb -0.14 -4.16 -0.06 0.00 -0.13 0.00 0.00 32.58 28.10 2jtc s HIS 195 CO 0.26 -2.04 0.78 0.00 -2.47 0.00 0.00 174.74 171.27 2jtc s ALA 196 N 8.94 3.35 0.35 1.58 0.00 -1.26 -0.33 121.76 134.39 2jtc s ALA 196 Ca 0.64 -0.24 -0.10 0.00 0.00 0.00 0.00 51.96 52.26 2jtc s ALA 196 Cb -0.09 -2.70 0.02 0.00 0.00 0.00 0.00 23.12 20.35 2jtc s ALA 196 CO 0.10 -0.08 0.62 -0.59 0.00 0.00 0.00 175.76 175.80 2jtc s PHE 197 N -2.45 0.52 -0.04 0.00 -0.12 0.35 -2.42 117.98 113.82 2jtc s PHE 197 Ca 0.51 -0.96 0.06 0.00 -0.05 0.00 0.00 56.93 56.48 2jtc s PHE 197 Cb -0.10 0.37 -0.01 0.00 -0.63 0.00 0.00 43.02 42.65 2jtc s PHE 197 CO 0.34 -1.30 -0.21 0.08 -0.05 0.00 0.00 175.22 174.08 2jtc s VAL 198 N -2.92 1.72 -0.23 -2.49 1.01 0.89 -0.81 120.40 117.57 2jtc s VAL 198 Ca 0.22 -0.89 -0.13 0.00 0.00 0.00 0.00 61.98 61.18 2jtc s VAL 198 Cb -0.03 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 2jtc s VAL 198 CO 0.15 0.48 0.29 -0.63 0.00 0.00 0.00 175.10 175.39 2jtc s ILE 199 N -0.19 5.27 -0.03 2.22 1.01 -0.69 0.12 121.20 128.91 2jtc s ILE 199 Ca -0.00 0.45 0.23 0.00 0.00 0.00 0.00 60.65 61.33 2jtc s ILE 199 Cb -0.11 -3.62 0.41 0.00 0.01 0.00 0.00 42.46 39.15 2jtc s ILE 199 CO 0.02 0.28 1.17 -0.90 0.00 0.00 0.00 174.94 175.50 2jtc n ASP 200 N 4.55 1.07 -3.56 3.58 5.75 0.97 -1.46 116.55 127.46 2jtc n ASP 200 Ca -0.11 -2.27 -0.02 0.00 -0.01 0.00 0.00 54.79 52.37 2jtc n ASP 200 Cb 0.51 -0.33 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 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 -2.14 -0.09 -0.17 6.12 0.00 -1.22 0.27 107.32 110.09 2jtc s GLY 201 Ca 0.34 -0.02 -0.29 0.00 0.00 0.00 0.00 44.72 44.75 2jtc s GLY 201 CO -0.15 1.32 0.94 0.00 0.00 0.00 0.00 173.10 175.21 2jtc s ALA 202 N -2.62 -1.91 -0.24 3.20 0.00 0.39 -2.32 121.76 118.26 2jtc s ALA 202 Ca 0.17 1.61 0.09 0.00 0.00 0.00 0.00 51.96 53.84 2jtc s ALA 202 Cb -0.01 -0.74 0.44 0.00 0.00 0.00 0.00 23.12 22.80 2jtc s ALA 202 CO 0.03 -0.31 1.21 -3.47 0.00 0.00 0.00 175.76 173.22 2jtc n ASP 203 N 1.10 3.10 -1.23 0.00 -0.08 -0.67 0.25 116.55 119.02 2jtc n ASP 203 Ca -0.12 -3.81 -0.13 0.00 -1.51 0.00 0.00 54.79 49.22 2jtc n ASP 203 Cb 0.57 -0.45 -0.05 0.00 2.34 0.00 0.00 41.12 43.53 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 -0.92 1.20 1.70 0.27 0.00 -1.03 -4.71 105.19 101.69 2jtc n GLY 204 Ca 0.30 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.34 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 -1.60 0.73 -1.70 1.61 1.74 -1.26 -4.68 116.66 111.50 2jtc n ARG 205 Ca -0.13 -2.58 -0.16 0.00 -0.77 0.00 0.00 57.85 54.21 2jtc n ARG 205 Cb 0.46 -0.65 -0.05 0.00 -1.02 0.00 0.00 32.46 31.20 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 0.01 -4.89 -4.16 0.55 4.13 -1.26 -4.95 115.26 104.69 2jtc n ASN 206 Ca 0.09 0.28 -0.38 0.00 1.68 0.00 0.00 54.58 56.26 2jtc n ASN 206 Cb 1.01 -3.86 -0.10 0.00 -1.54 0.00 0.00 39.78 35.29 2jtc n ASN 206 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 2jtc s PHE 207 N -2.65 3.52 0.24 3.10 0.08 -1.26 -4.98 117.98 116.03 2jtc s PHE 207 Ca 0.00 -2.19 0.00 0.00 0.12 0.00 0.00 56.93 54.86 2jtc s PHE 207 Cb 0.00 -3.30 -0.04 0.00 -0.57 0.00 0.00 43.02 39.11 2jtc s PHE 207 CO 0.00 -0.98 0.42 0.71 -0.10 0.00 0.00 175.22 175.28 2jtc s TYR 208 N 1.23 3.48 -0.22 0.36 1.51 -1.26 -1.68 117.35 120.78 2jtc s TYR 208 Ca 0.07 0.31 -0.17 0.00 -1.01 0.00 0.00 57.07 56.27 2jtc s TYR 208 Cb -0.24 -1.83 -0.03 0.00 -0.11 0.00 0.00 41.96 39.74 2jtc s TYR 208 CO -0.03 0.33 0.46 -1.58 -1.11 0.00 0.00 175.55 173.62 2jtc s HIS 209 N -1.98 3.34 -0.09 2.71 2.46 -0.98 -1.34 115.29 119.41 2jtc s HIS 209 Ca 0.38 0.65 0.01 0.00 0.47 0.00 0.00 55.06 56.58 2jtc s HIS 209 Cb -0.10 -2.62 -0.02 0.00 -0.13 0.00 0.00 32.58 29.70 2jtc s HIS 209 CO 0.30 -0.12 -0.11 0.08 -2.47 0.00 0.00 174.74 172.43 2jtc s VAL 210 N 1.70 3.29 -0.42 0.89 1.01 -1.24 -0.02 120.40 125.61 2jtc s VAL 210 Ca 0.21 -0.61 -0.03 0.00 0.00 0.00 0.00 61.98 61.55 2jtc s VAL 210 Cb -0.15 -2.35 0.11 0.00 0.00 0.00 0.00 36.38 33.99 2jtc s VAL 210 CO 0.09 0.56 0.22 0.21 0.00 0.00 0.00 175.10 176.18 2jtc s ASN 211 N -0.24 5.27 0.98 3.32 2.47 0.32 0.18 114.94 127.22 2jtc s ASN 211 Ca 0.02 -2.07 -0.13 0.00 0.42 0.00 0.00 52.86 51.10 2jtc s ASN 211 Cb -0.13 -1.83 0.15 0.00 -1.45 0.00 0.00 41.25 37.98 2jtc s ASN 211 CO 0.03 -0.54 0.25 0.79 -3.72 0.00 0.00 177.10 173.91 2jtc n TRP 212 N 4.55 -2.24 0.75 0.43 7.02 -1.26 -0.07 117.44 126.61 2jtc n TRP 212 Ca -0.02 0.05 0.03 0.00 -1.02 0.00 0.00 57.50 56.54 2jtc n TRP 212 Cb 0.41 -1.39 0.12 0.00 -2.42 0.00 0.00 31.31 28.04 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 2.49 1.16 0.00 6.99 0.00 -1.02 -4.54 105.19 110.27 2jtc n GLY 213 Ca 0.05 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2jtc n GLY 213 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2jtc n TRP 214 N 0.22 -1.11 -0.01 1.61 7.02 -1.26 -4.00 117.44 119.91 2jtc n TRP 214 Ca 0.09 0.00 -0.01 0.00 -1.02 0.00 0.00 57.50 56.56 2jtc n TRP 214 Cb 0.41 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.28 2jtc n TRP 214 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2jtc n GLY 215 N 5.00 -0.11 0.05 6.99 0.00 -0.25 -4.04 105.19 112.83 2jtc n GLY 215 Ca 0.00 -0.04 0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 2.79 -0.97 0.13 -0.02 0.00 -1.26 -4.38 105.19 101.47 2jtc n GLY 216 Ca -0.03 -0.43 -0.20 0.00 0.00 0.00 0.00 46.02 45.36 2jtc n GLY 216 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2jtc h VAL 217 N 0.00 0.99 -0.06 1.61 -1.51 -1.95 -3.44 116.25 111.90 2jtc h VAL 217 Ca -0.22 -2.61 -0.38 0.00 -1.23 0.00 0.00 66.70 62.26 2jtc h VAL 217 Cb 1.48 2.73 -0.10 0.00 -2.13 0.00 0.00 31.29 33.26 2jtc h VAL 217 CO 0.01 0.83 1.84 -0.24 -1.23 0.00 0.00 177.57 178.79 2jtc n SER 218 N -3.51 -0.72 0.00 4.19 2.88 -1.26 -4.68 113.62 110.53 2jtc n SER 218 Ca -0.22 -0.39 0.00 0.00 -1.33 0.00 0.00 58.87 56.93 2jtc n SER 218 Cb 1.06 -0.72 0.00 0.00 -0.75 0.00 0.00 64.21 63.80 2jtc n SER 218 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2jtc n ASP 219 N 7.85 0.00 0.00 -3.46 -0.08 -1.24 -4.76 116.55 114.86 2jtc n ASP 219 Ca 0.66 0.01 0.00 0.00 -1.51 0.00 0.00 54.79 53.95 2jtc n ASP 219 Cb 0.13 -0.15 0.00 0.00 2.34 0.00 0.00 41.12 43.44 2jtc n ASP 219 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2jtc n GLY 220 N 2.21 -0.58 3.10 0.27 0.00 0.46 -4.74 105.19 105.91 2jtc n GLY 220 Ca 0.00 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 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 2.65 -1.42 1.61 0.40 -1.15 -3.59 117.98 116.48 2jtc s PHE 221 Ca 0.00 -1.55 0.00 0.00 -0.60 0.00 0.00 56.93 54.78 2jtc s PHE 221 Cb 0.00 -1.85 0.00 0.00 0.51 0.00 0.00 43.02 41.68 2jtc s PHE 221 CO 0.00 -0.78 0.61 1.97 0.70 0.00 0.00 175.22 177.72 2jtc n PHE 222 N 4.64 0.00 -2.91 0.36 -1.74 -0.45 -4.07 117.46 113.28 2jtc n PHE 222 Ca -0.20 0.00 -0.42 0.00 -0.56 0.00 0.00 57.45 56.27 2jtc n PHE 222 Cb 0.50 -0.05 -0.04 0.00 1.52 0.00 0.00 39.48 41.41 2jtc n PHE 222 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 2jtc s ARG 223 N -1.42 4.12 -0.14 3.97 0.52 -1.26 -4.82 118.95 119.93 2jtc s ARG 223 Ca 0.00 0.83 0.17 0.00 -0.52 0.00 0.00 55.73 56.22 2jtc s ARG 223 Cb 0.00 -3.67 0.30 0.00 0.52 0.00 0.00 34.95 32.10 2jtc s ARG 223 CO 0.00 -0.56 1.15 1.28 0.02 0.00 0.00 175.30 177.20 2jtc n LEU 224 N 6.05 2.31 0.08 2.53 7.99 -1.26 -4.67 117.00 130.04 2jtc n LEU 224 Ca 0.05 -3.12 -0.15 0.00 -0.01 0.00 0.00 56.01 52.78 2jtc n LEU 224 Cb 0.48 -0.43 -0.14 0.00 -0.11 0.00 0.00 43.42 43.22 2jtc n LEU 224 CO 0.48 0.78 -0.12 0.44 -1.51 0.00 0.00 177.39 177.47 2jtc h ASP 225 N 0.14 0.34 -3.58 -1.43 3.32 -2.00 -3.40 116.42 109.79 2jtc h ASP 225 Ca -0.00 -0.39 -0.63 0.00 0.02 0.00 0.00 57.03 56.03 2jtc h ASP 225 Cb 1.02 -0.11 -0.40 0.00 0.22 0.00 0.00 39.33 40.06 2jtc h ASP 225 CO 0.00 1.32 -0.72 0.00 -1.72 0.00 0.00 179.24 178.11 2jtc s ALA 226 N -2.65 2.45 -1.29 3.45 0.00 -1.26 -5.01 121.76 117.44 2jtc s ALA 226 Ca -0.05 -2.36 -0.09 0.00 0.00 0.00 0.00 51.96 49.46 2jtc s ALA 226 Cb 0.07 -1.88 0.16 0.00 0.00 0.00 0.00 23.12 21.48 2jtc s ALA 226 CO 0.86 -1.76 1.92 -0.11 0.00 0.00 0.00 175.76 176.68 2jtc n LEU 227 N 4.24 6.75 -4.09 0.00 -0.00 -1.26 -4.89 117.00 117.75 2jtc n LEU 227 Ca 0.03 -4.64 -0.34 0.00 -0.00 0.00 0.00 56.01 51.06 2jtc n LEU 227 Cb 0.40 -1.48 -0.13 0.00 -0.00 0.00 0.00 43.42 42.21 2jtc n LEU 227 CO 0.20 1.41 -0.29 0.20 -0.00 0.00 0.00 177.39 178.92 2jtc s ASN 228 N 0.89 4.94 0.66 1.96 -0.87 -1.26 -4.74 114.94 116.52 2jtc s ASN 228 Ca 0.41 -1.90 -0.12 0.00 -1.57 0.00 0.00 52.86 49.68 2jtc s ASN 228 Cb 0.10 -1.71 -0.01 0.00 -0.02 0.00 0.00 41.25 39.61 2jtc s ASN 228 CO -0.00 -0.40 1.05 -2.16 -2.57 0.00 0.00 177.10 173.01 2jtc s PRO 229 N 1.07 3.18 -0.04 -0.60 0.04 -1.26 -5.00 135.00 132.39 2jtc s PRO 229 Ca 0.06 0.93 0.01 0.00 0.04 0.00 0.00 61.00 62.03 2jtc s PRO 229 Cb -0.21 -2.02 -0.26 0.00 0.04 0.00 0.00 34.50 32.05 2jtc s PRO 229 CO -0.05 -0.90 0.68 0.77 0.04 0.00 0.00 177.00 177.54 2jtc h SER 230 N -0.42 0.28 -1.03 6.66 0.02 -2.00 -3.34 113.55 113.71 2jtc h SER 230 Ca -0.44 -0.49 -0.52 0.00 -0.84 0.00 0.00 61.79 59.50 2jtc h SER 230 Cb 1.21 -0.09 -0.20 0.00 0.14 0.00 0.00 62.40 63.46 2jtc h SER 230 CO 0.58 1.42 0.58 0.00 -1.14 0.00 0.00 176.83 178.28 2jtc n ALA 231 N -2.72 6.07 0.10 3.77 0.00 -1.26 -4.45 120.51 122.02 2jtc n ALA 231 Ca -0.20 -2.89 -0.15 0.00 0.00 0.00 0.00 53.44 50.21 2jtc n ALA 231 Cb 1.04 -1.85 -0.12 0.00 0.00 0.00 0.00 19.45 18.53 2jtc n ALA 231 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2jtc h LEU 232 N 3.08 0.40 -0.26 0.00 5.85 -1.99 -3.50 115.31 118.90 2jtc h LEU 232 Ca 0.43 -0.41 0.02 0.00 0.84 0.00 0.00 57.88 58.75 2jtc h LEU 232 Cb 0.68 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 2jtc h LEU 232 CO 1.04 1.29 -0.33 0.61 -0.34 0.00 0.00 178.44 180.72 2jtc n GLY 233 N 1.40 -3.17 2.39 3.75 0.00 -1.26 -4.38 105.19 103.92 2jtc n GLY 233 Ca -0.07 -1.18 -0.33 0.00 0.00 0.00 0.00 46.02 44.44 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 -1.99 3.71 -2.17 2.61 -2.24 -1.26 -4.91 114.28 108.03 2jtc n THR 234 Ca -0.00 -2.20 -0.26 0.00 -2.27 0.00 0.00 64.05 59.31 2jtc n THR 234 Cb 0.17 -2.45 0.09 0.00 -2.10 0.00 0.00 70.33 66.04 2jtc n THR 234 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2jtc s GLY 235 N 2.52 1.70 -0.97 3.38 0.00 -1.26 -4.92 107.32 107.77 2jtc s GLY 235 Ca 0.61 -1.04 -0.24 0.00 0.00 0.00 0.00 44.72 44.05 2jtc s GLY 235 CO -0.05 -0.54 1.91 -0.32 0.00 0.00 0.00 173.10 174.10 2jtc s GLY 236 N -4.61 0.27 0.00 0.20 0.00 -1.26 -4.77 107.32 97.14 2jtc s GLY 236 Ca 0.63 -1.70 0.00 0.00 0.00 0.00 0.00 44.72 43.66 2jtc s GLY 236 CO 0.46 3.44 0.00 0.61 0.00 0.00 0.00 173.10 177.62 2jtc n GLY 237 N 6.64 1.01 3.83 0.20 0.00 -1.26 -4.63 105.19 110.98 2jtc n GLY 237 Ca 0.41 -0.81 -0.22 0.00 0.00 0.00 0.00 46.02 45.40 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 3.71 -0.06 4.61 0.00 -1.26 -5.04 121.76 122.72 2jtc s ALA 238 Ca 0.00 -1.59 -0.20 0.00 0.00 0.00 0.00 51.96 50.17 2jtc s ALA 238 Cb 0.00 -1.16 -0.31 0.00 0.00 0.00 0.00 23.12 21.65 2jtc s ALA 238 CO 0.00 0.09 0.80 0.78 0.00 0.00 0.00 175.76 177.44 2jtc h GLY 239 N 1.37 0.35 -6.08 0.00 0.00 -1.97 -3.42 103.07 93.32 2jtc h GLY 239 Ca -0.46 -0.90 -0.57 0.00 0.00 0.00 0.00 47.33 45.41 2jtc h GLY 239 CO 0.59 0.78 -1.08 0.61 0.00 0.00 0.00 176.54 177.45 2jtc n GLY 240 N 1.69 2.71 3.45 4.60 0.00 -1.26 -4.54 105.19 111.84 2jtc n GLY 240 Ca -0.17 -1.52 -0.34 0.00 0.00 0.00 0.00 46.02 43.99 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 -0.91 2.99 -0.90 1.61 5.36 -1.26 -4.99 117.98 119.87 2jtc s PHE 241 Ca 0.35 -0.46 -0.00 0.00 -0.96 0.00 0.00 56.93 55.86 2jtc s PHE 241 Cb 0.14 -1.98 0.28 0.00 -0.34 0.00 0.00 43.02 41.12 2jtc s PHE 241 CO -0.13 -0.16 1.16 -1.71 -1.46 0.00 0.00 175.22 172.92 2jtc n ASN 242 N 3.82 5.29 -0.02 6.13 4.05 -1.26 -4.05 115.26 129.22 2jtc n ASN 242 Ca -0.18 -3.41 -0.16 0.00 0.45 0.00 0.00 54.58 51.28 2jtc n ASN 242 Cb 0.52 -1.03 -0.12 0.00 1.23 0.00 0.00 39.78 40.39 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 4.97 0.22 -4.85 8.20 0.00 -1.78 -3.46 103.07 106.37 2jtc h GLY 243 Ca 0.20 -0.43 -0.30 0.00 0.00 0.00 0.00 47.33 46.80 2jtc h GLY 243 CO 1.12 0.38 -0.74 -0.19 0.00 0.00 0.00 176.54 177.11 2jtc s TYR 244 N -2.90 0.69 -0.19 5.60 2.02 -1.21 -4.99 117.35 116.37 2jtc s TYR 244 Ca -0.16 -0.42 -0.07 0.00 -0.37 0.00 0.00 57.07 56.05 2jtc s TYR 244 Cb 0.01 -0.42 0.08 0.00 -0.40 0.00 0.00 41.96 41.23 2jtc s TYR 244 CO 0.76 -0.06 0.41 -1.14 -1.57 0.00 0.00 175.55 173.95 2jtc s GLN 245 N -1.33 0.33 0.17 -0.62 0.74 -1.26 0.25 119.66 117.94 2jtc s GLN 245 Ca -0.07 0.96 -0.12 0.00 0.05 0.00 0.00 55.36 56.17 2jtc s GLN 245 Cb -0.09 0.22 0.01 0.00 1.10 0.00 0.00 33.01 34.25 2jtc s GLN 245 CO 0.00 -0.23 0.37 -1.54 -0.55 0.00 0.00 175.29 173.34 2jtc s SER 246 N 2.31 -0.07 0.10 6.67 1.04 -1.02 0.16 113.70 122.90 2jtc s SER 246 Ca -0.03 -0.70 -0.01 0.00 0.48 0.00 0.00 55.95 55.68 2jtc s SER 246 Cb -0.11 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.45 2jtc s SER 246 CO -0.12 -0.94 0.04 0.00 0.98 0.00 0.00 173.24 173.19 2jtc s ALA 247 N -3.92 0.69 -0.13 5.32 0.00 0.81 -1.92 121.76 122.62 2jtc s ALA 247 Ca 0.13 -1.35 0.02 0.00 0.00 0.00 0.00 51.96 50.76 2jtc s ALA 247 Cb 0.02 0.66 -0.00 0.00 0.00 0.00 0.00 23.12 23.80 2jtc s ALA 247 CO -0.02 -0.45 -0.18 0.08 0.00 0.00 0.00 175.76 175.18 2jtc s VAL 248 N -4.00 2.51 0.04 0.00 1.01 0.38 0.24 120.40 120.58 2jtc s VAL 248 Ca 0.18 -0.84 0.06 0.00 0.00 0.00 0.00 61.98 61.37 2jtc s VAL 248 Cb 0.07 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 2jtc s VAL 248 CO -0.02 0.54 -0.18 0.68 0.00 0.00 0.00 175.10 176.12 2jtc s VAL 249 N 0.50 1.41 0.00 2.92 -7.23 -0.70 -0.79 120.40 116.52 2jtc s VAL 249 Ca -0.12 -1.09 0.00 0.00 -1.81 0.00 0.00 61.98 58.96 2jtc s VAL 249 Cb -0.16 -1.24 0.00 0.00 0.56 0.00 0.00 36.38 35.53 2jtc s VAL 249 CO 0.05 0.13 0.00 0.61 -0.31 0.00 0.00 175.10 175.58 2jtc n GLY 250 N 1.92 0.53 3.28 2.32 0.00 -1.26 -2.99 105.19 108.98 2jtc n GLY 250 Ca -0.17 -0.30 -0.44 0.00 0.00 0.00 0.00 46.02 45.10 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 4.97 -0.08 -0.61 1.01 -1.26 -2.63 121.20 120.45 2jtc s ILE 251 Ca 0.00 -1.88 -0.30 0.00 0.00 0.00 0.00 60.65 58.47 2jtc s ILE 251 Cb 0.00 -4.18 0.09 0.00 0.01 0.00 0.00 42.46 38.39 2jtc s ILE 251 CO 0.00 -0.88 0.80 -1.59 0.00 0.00 0.00 174.94 173.27 2jtc s LYS 252 N 1.12 0.88 0.00 2.79 -2.85 -1.26 -4.93 119.74 115.49 2jtc s LYS 252 Ca 0.08 0.17 0.29 0.00 -1.00 0.00 0.00 55.97 55.50 2jtc s LYS 252 Cb -0.24 0.42 1.73 0.00 -2.06 0.00 0.00 37.83 37.67 2jtc s LYS 252 CO -0.01 -0.29 2.07 -0.35 0.10 0.00 0.00 175.35 176.87