#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 2.62 -0.08 3.69 0.04 -1.26 -4.58 135.00 135.43 2jtc s PRO 2 Ca 0.00 0.51 -0.05 0.00 0.04 0.00 0.00 61.00 61.50 2jtc s PRO 2 Cb 0.00 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 2jtc s PRO 2 CO 0.00 -1.21 0.12 0.08 0.04 0.00 0.00 177.00 176.02 2jtc s VAL 3 N -3.30 5.20 -0.03 -0.36 1.01 -1.26 -3.60 120.40 118.05 2jtc s VAL 3 Ca 0.59 -0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.56 2jtc s VAL 3 Cb -0.12 -3.30 0.02 0.00 0.00 0.00 0.00 36.38 32.98 2jtc s VAL 3 CO 0.52 0.53 -0.01 -0.69 0.00 0.00 0.00 175.10 175.46 2jtc s VAL 4 N -1.08 0.19 0.00 2.92 1.01 0.40 -4.84 120.40 119.00 2jtc s VAL 4 Ca 0.18 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.21 2jtc s VAL 4 Cb -0.12 -0.26 0.00 0.00 0.00 0.00 0.00 36.38 36.00 2jtc s VAL 4 CO 0.08 0.13 0.00 0.29 0.00 0.00 0.00 175.10 175.60 2jtc n LYS 5 N 3.96 0.13 -2.90 2.72 4.76 -1.26 0.13 118.16 125.70 2jtc n LYS 5 Ca -0.25 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 54.76 2jtc n LYS 5 Cb 0.52 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.66 2jtc n LYS 5 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2jtc s SER 6 N -1.19 6.33 0.10 4.39 0.15 -1.22 -3.18 113.70 119.08 2jtc s SER 6 Ca 0.00 -0.43 -0.22 0.00 0.70 0.00 0.00 55.95 56.00 2jtc s SER 6 Cb 0.00 -2.41 -0.10 0.00 -1.71 0.00 0.00 66.02 61.80 2jtc s SER 6 CO 0.00 -1.14 1.72 -0.07 1.20 0.00 0.00 173.24 174.96 2jtc h LEU 7 N 10.67 -0.08 -1.20 3.45 3.38 0.33 0.14 115.31 131.99 2jtc h LEU 7 Ca -0.26 0.02 0.10 0.00 0.09 0.00 0.00 57.88 57.83 2jtc h LEU 7 Cb 1.08 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.81 2jtc h LEU 7 CO 1.05 -0.03 0.57 -0.07 0.09 0.00 0.00 178.44 180.06 2jtc h LEU 8 N -0.01 0.79 -0.36 1.67 3.38 -1.91 -1.25 115.31 117.62 2jtc h LEU 8 Ca 0.03 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 2jtc h LEU 8 Cb 0.07 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2jtc h LEU 8 CO -0.08 0.46 -0.07 0.44 0.09 0.00 0.00 178.44 179.29 2jtc h ASP 9 N 0.87 0.69 0.00 -0.43 5.19 -1.52 0.29 116.42 121.52 2jtc h ASP 9 Ca 0.41 -0.36 0.00 0.00 -0.62 0.00 0.00 57.03 56.47 2jtc h ASP 9 Cb 0.42 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 39.74 2jtc h ASP 9 CO -0.18 0.88 0.06 -1.54 -3.12 0.00 0.00 179.24 175.35 2jtc n SER 10 N -4.41 0.47 -0.30 6.45 3.41 0.38 0.29 113.62 119.91 2jtc n SER 10 Ca -0.02 0.70 0.08 0.00 -0.26 0.00 0.00 58.87 59.37 2jtc n SER 10 Cb 0.33 -0.74 0.15 0.00 -0.26 0.00 0.00 64.21 63.69 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 -2.15 2.05 -4.32 4.33 5.02 -0.82 -4.95 118.16 117.31 2jtc n LYS 11 Ca -0.01 -2.46 -0.37 0.00 -2.02 0.00 0.00 58.31 53.45 2jtc n LYS 11 Cb 0.09 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.55 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 -0.94 -0.39 3.51 0.72 0.00 0.14 -4.70 105.19 103.53 2jtc n GLY 12 Ca 0.15 0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.85 2jtc n GLY 12 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jtc s ILE 13 N -3.40 4.76 -0.48 -0.61 1.01 0.96 -3.02 121.20 120.43 2jtc s ILE 13 Ca 0.67 0.07 0.04 0.00 0.00 0.00 0.00 60.65 61.43 2jtc s ILE 13 Cb -0.38 -4.28 0.17 0.00 0.01 0.00 0.00 42.46 37.98 2jtc s ILE 13 CO 0.96 -0.72 0.36 -1.00 0.00 0.00 0.00 174.94 174.55 2jtc s HIS 14 N 2.99 1.68 0.86 3.97 3.76 0.62 -4.65 115.29 124.52 2jtc s HIS 14 Ca 0.23 -2.52 -0.07 0.00 -0.15 0.00 0.00 55.06 52.55 2jtc s HIS 14 Cb -0.15 -1.38 0.18 0.00 1.11 0.00 0.00 32.58 32.35 2jtc s HIS 14 CO 0.18 -0.76 1.17 0.71 -0.85 0.00 0.00 174.74 175.19 2jtc s TYR 15 N -0.21 1.23 0.00 1.40 2.02 -1.25 -3.75 117.35 116.79 2jtc s TYR 15 Ca 0.29 -0.14 0.00 0.00 -0.37 0.00 0.00 57.07 56.85 2jtc s TYR 15 Cb -0.01 -3.53 0.00 0.00 -0.40 0.00 0.00 41.96 38.01 2jtc s TYR 15 CO -0.17 -2.30 0.00 -1.71 -1.57 0.00 0.00 175.55 169.80 2jtc n ASN 16 N -3.32 0.00 0.00 2.29 4.05 -1.26 -4.82 115.26 112.20 2jtc n ASN 16 Ca 0.17 -0.26 0.00 0.00 0.45 0.00 0.00 54.58 54.94 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 1.86 -0.03 1.20 6.02 -1.26 -4.70 117.38 120.47 2jtc n GLN 17 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.96 2jtc n GLN 17 Cb 0.00 -0.87 -0.04 0.00 1.02 0.00 0.00 30.24 30.36 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 1.93 -0.19 0.00 1.08 0.00 -1.26 -0.65 105.19 106.10 2jtc n GLY 18 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.38 0.00 0.00 1.61 4.05 -1.26 -3.47 115.26 113.81 2jtc n ASN 19 Ca -0.09 0.00 0.08 0.00 0.45 0.00 0.00 54.58 55.02 2jtc n ASN 19 Cb 0.65 0.00 0.47 0.00 1.23 0.00 0.00 39.78 42.13 2jtc n ASN 19 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 2jtc n PRO 20 N 0.00 0.71 0.08 1.20 -0.04 -1.26 -2.61 135.00 133.08 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 -1.35 -0.05 0.00 -0.04 0.00 0.00 33.50 32.05 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 -0.47 0.54 -1.99 -1.87 -3.11 116.97 110.23 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 0.99 0.00 0.27 -0.00 0.00 0.00 178.16 179.42 2jtc n ASN 22 N -3.52 3.45 0.00 3.88 6.94 -1.07 -4.15 115.26 120.78 2jtc n ASN 22 Ca -0.02 -2.28 0.08 0.00 -0.02 0.00 0.00 54.58 52.33 2jtc n ASN 22 Cb 0.87 -0.47 0.36 0.00 -2.36 0.00 0.00 39.78 38.18 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 0.77 0.00 0.00 -4.53 4.77 -1.18 -2.65 117.00 114.18 2jtc n LEU 23 Ca 0.18 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 2jtc n LEU 23 Cb 0.65 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 2jtc n LEU 23 CO 0.17 -0.19 0.01 0.18 -1.33 0.00 0.00 177.39 176.23 2jtc n LEU 24 N -1.39 0.05 -4.57 2.23 4.77 -1.26 -5.03 117.00 111.81 2jtc n LEU 24 Ca 0.06 -0.43 -0.29 0.00 -0.03 0.00 0.00 56.01 55.31 2jtc n LEU 24 Cb 0.15 0.00 0.22 0.00 -2.33 0.00 0.00 43.42 41.46 2jtc n LEU 24 CO 0.13 0.01 0.59 0.42 -1.33 0.00 0.00 177.39 177.21 2jtc s THR 25 N -0.76 2.05 0.38 -5.08 -4.23 -1.08 -4.85 115.64 102.06 2jtc s THR 25 Ca 0.00 0.02 -0.26 0.00 -1.18 0.00 0.00 61.69 60.27 2jtc s THR 25 Cb 0.00 -2.06 -0.09 0.00 1.34 0.00 0.00 72.50 71.69 2jtc s THR 25 CO 0.00 -0.02 1.18 -2.16 -0.54 0.00 0.00 174.62 173.08 2jtc s PRO 26 N -4.54 4.17 0.32 3.99 0.04 -1.26 -4.64 135.00 133.08 2jtc s PRO 26 Ca 0.68 1.89 -0.18 0.00 0.04 0.00 0.00 61.00 63.42 2jtc s PRO 26 Cb -0.24 -2.79 -0.09 0.00 0.04 0.00 0.00 34.50 31.42 2jtc s PRO 26 CO 0.62 -0.23 0.79 0.08 0.04 0.00 0.00 177.00 178.29 2jtc s VAL 27 N -1.35 4.56 0.41 -0.36 1.01 -1.26 -0.67 120.40 122.74 2jtc s VAL 27 Ca 0.54 1.21 -0.23 0.00 0.00 0.00 0.00 61.98 63.50 2jtc s VAL 27 Cb -0.32 -3.71 -0.10 0.00 0.00 0.00 0.00 36.38 32.25 2jtc s VAL 27 CO 0.41 -0.08 0.98 -0.63 0.00 0.00 0.00 175.10 175.77 2jtc s ILE 28 N -1.87 4.15 0.00 2.22 1.01 0.69 -4.84 121.20 122.57 2jtc s ILE 28 Ca 0.52 1.49 0.00 0.00 0.00 0.00 0.00 60.65 62.66 2jtc s ILE 28 Cb -0.12 -3.69 0.00 0.00 0.01 0.00 0.00 42.46 38.66 2jtc s ILE 28 CO 0.18 -0.15 0.00 -0.62 0.00 0.00 0.00 174.94 174.35 2jtc n GLU 29 N -0.32 2.04 -4.51 2.79 1.02 0.87 -0.42 120.64 122.12 2jtc n GLU 29 Ca 0.06 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.93 2jtc n GLU 29 Cb 0.52 -0.84 -0.10 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 -1.41 1.97 0.05 3.49 1.02 0.27 -4.78 119.74 120.35 2jtc s LYS 30 Ca 0.00 -2.00 0.07 0.00 0.02 0.00 0.00 55.97 54.05 2jtc s LYS 30 Cb 0.00 -1.73 -0.03 0.00 -0.52 0.00 0.00 37.83 35.55 2jtc s LYS 30 CO 0.00 0.00 -0.15 0.08 -0.92 0.00 0.00 175.35 174.36 2jtc s VAL 31 N -2.65 3.02 0.62 3.17 1.01 -1.17 -4.28 120.40 120.12 2jtc s VAL 31 Ca 0.35 -1.15 -0.12 0.00 0.00 0.00 0.00 61.98 61.06 2jtc s VAL 31 Cb 0.07 -2.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.11 2jtc s VAL 31 CO 0.18 0.30 1.04 -0.75 0.00 0.00 0.00 175.10 175.87 2jtc s LYS 32 N -1.58 3.40 -0.40 2.72 2.36 -1.26 -4.81 119.74 120.18 2jtc s LYS 32 Ca 0.16 0.91 -0.27 0.00 -2.55 0.00 0.00 55.97 54.22 2jtc s LYS 32 Cb -0.11 -2.05 0.02 0.00 -1.05 0.00 0.00 37.83 34.64 2jtc s LYS 32 CO 0.07 -0.73 1.01 -1.25 1.55 0.00 0.00 175.35 176.01 2jtc s PRO 33 N -4.80 3.82 0.00 4.03 0.04 -1.26 -3.10 135.00 133.74 2jtc s PRO 33 Ca 0.58 0.63 0.00 0.00 0.04 0.00 0.00 61.00 62.25 2jtc s PRO 33 Cb -0.12 -3.83 0.00 0.00 0.04 0.00 0.00 34.50 30.58 2jtc s PRO 33 CO 0.48 -1.08 0.00 0.41 0.04 0.00 0.00 177.00 176.85 2jtc n GLY 34 N 4.46 0.69 3.51 0.56 0.00 -1.26 -5.06 105.19 108.09 2jtc n GLY 34 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.74 1.81 1.06 1.61 2.12 -1.18 -5.12 118.70 118.27 2jtc s GLU 35 Ca 0.00 -1.67 -0.12 0.00 0.36 0.00 0.00 54.97 53.54 2jtc s GLU 35 Cb 0.00 -1.87 0.23 0.00 0.26 0.00 0.00 34.13 32.75 2jtc s GLU 35 CO 0.00 0.34 1.07 -0.65 -0.54 0.00 0.00 175.26 175.49 2jtc s GLN 36 N -3.49 -0.14 0.25 4.30 1.11 -1.26 -4.60 119.66 115.83 2jtc s GLN 36 Ca 0.30 1.11 -0.30 0.00 0.01 0.00 0.00 55.36 56.49 2jtc s GLN 36 Cb -0.06 -1.62 -0.09 0.00 -1.01 0.00 0.00 33.01 30.23 2jtc s GLN 36 CO 0.16 -3.28 1.09 0.45 0.01 0.00 0.00 175.29 173.72 2jtc s SER 37 N -2.60 7.29 -0.05 5.90 0.15 -1.26 -4.47 113.70 118.66 2jtc s SER 37 Ca 0.68 2.21 0.07 0.00 0.70 0.00 0.00 55.95 59.61 2jtc s SER 37 Cb -0.24 -2.62 0.11 0.00 -1.71 0.00 0.00 66.02 61.56 2jtc s SER 37 CO 0.62 -0.15 1.01 0.49 1.20 0.00 0.00 173.24 176.41 2jtc n PHE 38 N 1.53 0.00 -1.92 3.44 3.72 -1.26 -5.02 117.46 117.95 2jtc n PHE 38 Ca -0.00 -0.60 -0.40 0.00 -0.05 0.00 0.00 57.45 56.40 2jtc n PHE 38 Cb 0.45 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 38.91 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 -1.54 2.32 0.00 -4.37 1.01 -1.26 -1.32 120.40 115.23 2jtc s VAL 39 Ca 0.12 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.40 2jtc s VAL 39 Cb 0.11 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.31 2jtc s VAL 39 CO 0.01 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.77 2jtc n GLY 40 N 0.61 0.93 3.74 4.51 0.00 0.44 -4.90 105.19 110.52 2jtc n GLY 40 Ca 0.03 0.00 -0.38 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 -0.00 4.27 -0.34 1.61 -0.21 -0.44 -4.78 119.66 119.76 2jtc s GLN 41 Ca 0.00 0.46 -0.29 0.00 0.02 0.00 0.00 55.36 55.55 2jtc s GLN 41 Cb 0.00 -3.39 -0.00 0.00 1.00 0.00 0.00 33.01 30.62 2jtc s GLN 41 CO 0.00 0.27 1.48 -1.01 -2.12 0.00 0.00 175.29 173.91 2jtc s HIS 42 N 0.25 2.32 0.96 0.91 3.76 -1.26 -0.22 115.29 122.01 2jtc s HIS 42 Ca 0.26 0.68 -0.13 0.00 -0.15 0.00 0.00 55.06 55.72 2jtc s HIS 42 Cb -0.16 -4.14 0.04 0.00 1.11 0.00 0.00 32.58 29.43 2jtc s HIS 42 CO 0.11 -2.24 0.36 0.00 -0.85 0.00 0.00 174.74 172.13 2jtc n ALA 43 N 8.73 -2.74 -1.74 -1.40 0.00 0.16 -4.87 120.51 118.65 2jtc n ALA 43 Ca 0.17 -0.65 -0.30 0.00 0.00 0.00 0.00 53.44 52.67 2jtc n ALA 43 Cb 0.47 -1.77 0.08 0.00 0.00 0.00 0.00 19.45 18.23 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 -2.38 2.46 0.07 0.00 0.00 -0.66 -4.69 121.76 116.57 2jtc s ALA 44 Ca 0.56 -0.42 -0.06 0.00 0.00 0.00 0.00 51.96 52.05 2jtc s ALA 44 Cb -0.20 -3.03 -0.28 0.00 0.00 0.00 0.00 23.12 19.61 2jtc s ALA 44 CO 0.68 -1.64 1.14 1.79 0.00 0.00 0.00 175.76 177.73 2jtc h THR 45 N -1.02 1.47 0.00 0.00 1.35 -1.20 -3.42 112.91 110.09 2jtc h THR 45 Ca -0.47 -2.98 0.00 0.00 -0.55 0.00 0.00 66.41 62.41 2jtc h THR 45 Cb 1.29 2.92 0.00 0.00 -1.73 0.00 0.00 68.15 70.63 2jtc h THR 45 CO 0.63 0.87 0.00 0.61 -0.25 0.00 0.00 175.52 177.38 2jtc n GLY 46 N 1.51 2.50 0.12 5.82 0.00 -1.24 -4.37 105.19 109.53 2jtc n GLY 46 Ca -0.09 -1.54 -0.07 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.19 -0.56 1.61 4.64 -1.87 0.28 113.55 117.46 2jtc h SER 47 Ca 0.00 0.07 0.11 0.00 -0.47 0.00 0.00 61.79 61.50 2jtc h SER 47 Cb 0.00 0.14 -0.11 0.00 -0.31 0.00 0.00 62.40 62.12 2jtc h SER 47 CO 0.00 -0.06 -0.26 0.58 -0.87 0.00 0.00 176.83 176.21 2jtc h VAL 48 N 0.03 0.26 -0.19 0.95 2.07 -1.78 1.89 116.25 119.48 2jtc h VAL 48 Ca 0.13 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.63 2jtc h VAL 48 Cb 0.18 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 2jtc h VAL 48 CO -0.25 0.00 0.04 0.00 0.02 0.00 0.00 177.57 177.38 2jtc h ALA 49 N 1.18 0.25 -0.02 1.67 0.00 -1.46 -1.79 119.26 119.08 2jtc h ALA 49 Ca 0.24 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2jtc h ALA 49 Cb 0.52 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2jtc h ALA 49 CO -0.63 -0.10 -0.12 1.15 0.00 0.00 0.00 179.25 179.54 2jtc h THR 50 N 0.11 1.10 -0.14 0.00 2.02 0.12 1.24 112.91 117.35 2jtc h THR 50 Ca 0.06 -0.45 -0.04 0.00 0.77 0.00 0.00 66.41 66.75 2jtc h THR 50 Cb 0.28 1.22 -0.00 0.00 -1.74 0.00 0.00 68.15 67.91 2jtc h THR 50 CO 0.00 0.13 -0.05 0.00 0.37 0.00 0.00 175.52 175.97 2jtc h ALA 51 N 1.86 0.20 -0.00 6.16 0.00 0.33 -2.36 119.26 125.44 2jtc h ALA 51 Ca 0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 2jtc h ALA 51 Cb 0.23 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2jtc h ALA 51 CO 0.02 -0.03 -0.02 1.15 0.00 0.00 0.00 179.25 180.37 2jtc h THR 52 N -0.04 1.62 -0.92 0.00 2.02 -0.62 -2.95 112.91 112.02 2jtc h THR 52 Ca 0.03 -1.84 0.22 0.00 0.77 0.00 0.00 66.41 65.59 2jtc h THR 52 Cb 0.50 2.86 -0.07 0.00 -1.74 0.00 0.00 68.15 69.71 2jtc h THR 52 CO 0.02 0.48 0.61 0.00 0.37 0.00 0.00 175.52 177.00 2jtc h ALA 53 N 0.22 2.28 -0.06 6.16 0.00 0.14 2.46 119.26 130.47 2jtc h ALA 53 Ca -0.00 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2jtc h ALA 53 Cb 0.80 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 2jtc h ALA 53 CO 0.00 -0.57 -0.02 1.96 0.00 0.00 0.00 179.25 180.62 2jtc h GLN 54 N 0.36 0.11 0.00 0.00 4.20 -1.44 0.31 115.11 118.66 2jtc h GLN 54 Ca 0.48 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 59.08 2jtc h GLN 54 Cb 1.26 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.03 2jtc h GLN 54 CO -0.17 0.46 -0.29 0.82 -0.67 0.00 0.00 178.83 178.98 2jtc h ILE 55 N -0.25 1.06 -0.53 2.54 2.04 -0.46 0.59 117.51 122.51 2jtc h ILE 55 Ca 0.01 -1.04 -0.11 0.00 1.00 0.00 0.00 64.86 64.72 2jtc h ILE 55 Cb 0.42 1.59 -0.02 0.00 -0.74 0.00 0.00 36.82 38.07 2jtc h ILE 55 CO 0.01 0.28 -0.11 0.24 0.00 0.00 0.00 178.15 178.57 2jtc h MET 56 N 0.00 1.01 -0.24 2.37 2.86 0.45 -2.17 114.93 119.21 2jtc h MET 56 Ca -0.00 -0.37 -0.19 0.00 -2.06 0.00 0.00 59.70 57.07 2jtc h MET 56 Cb 0.56 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.16 2jtc h MET 56 CO 0.04 1.05 -0.61 -0.22 1.06 0.00 0.00 176.91 178.23 2jtc h LYS 57 N 0.90 0.82 -0.81 1.72 1.63 0.90 2.01 116.57 123.73 2jtc h LYS 57 Ca 0.14 -0.56 0.17 0.00 -0.85 0.00 0.00 60.65 59.55 2jtc h LYS 57 Cb 0.67 0.08 -0.06 0.00 -0.60 0.00 0.00 32.23 32.33 2jtc h LYS 57 CO 0.05 1.19 0.54 -0.92 -3.45 0.00 0.00 179.45 176.86 2jtc h TYR 58 N 0.61 0.50 0.00 1.91 5.03 0.54 -2.21 116.97 123.35 2jtc h TYR 58 Ca -0.00 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.31 2jtc h TYR 58 Cb 1.22 -0.16 -0.00 0.00 1.55 0.00 0.00 36.73 39.34 2jtc h TYR 58 CO 0.07 0.17 -1.62 0.72 -1.32 0.00 0.00 178.16 176.18 2jtc n HIS 59 N -4.49 0.00 -4.13 -3.82 8.25 -0.85 -4.99 115.22 105.19 2jtc n HIS 59 Ca 0.16 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.26 2jtc n HIS 59 Cb 0.60 -0.32 -0.04 0.00 1.12 0.00 0.00 29.99 31.35 2jtc n HIS 59 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2jtc n ASN 60 N -1.99 -1.28 0.00 0.41 0.23 0.68 -4.86 115.26 108.46 2jtc n ASN 60 Ca -0.03 -1.20 0.00 0.00 -0.53 0.00 0.00 54.58 52.81 2jtc n ASN 60 Cb 0.37 -1.47 0.00 0.00 -2.08 0.00 0.00 39.78 36.60 2jtc n ASN 60 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2jtc n TYR 61 N -4.55 0.00 -2.05 -2.53 9.36 -1.25 -4.65 117.16 111.48 2jtc n TYR 61 Ca -0.21 0.00 -0.40 0.00 3.32 0.00 0.00 57.90 60.61 2jtc n TYR 61 Cb 0.59 -0.47 -0.03 0.00 -0.63 0.00 0.00 39.34 38.81 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 -1.45 2.92 0.52 2.98 0.04 -1.26 -4.77 135.00 133.98 2jtc s PRO 62 Ca 0.00 0.89 0.30 0.00 0.04 0.00 0.00 61.00 62.23 2jtc s PRO 62 Cb 0.00 -4.30 1.25 0.00 0.04 0.00 0.00 34.50 31.49 2jtc s PRO 62 CO 0.00 -2.37 1.95 -0.91 0.04 0.00 0.00 177.00 175.70 2jtc h ASN 63 N 13.99 0.00 -3.97 6.66 4.21 -1.83 -3.39 115.58 131.25 2jtc h ASN 63 Ca -0.28 0.00 -0.35 0.00 1.21 0.00 0.00 56.30 56.87 2jtc h ASN 63 Cb 1.16 0.00 -0.28 0.00 -1.12 0.00 0.00 38.32 38.08 2jtc h ASN 63 CO 1.15 0.08 -0.76 -0.75 -1.29 0.00 0.00 177.43 175.86 2jtc s LYS 64 N -3.71 0.55 0.60 0.81 2.20 -1.26 0.19 119.74 119.13 2jtc s LYS 64 Ca 0.01 -0.25 -0.19 0.00 -0.36 0.00 0.00 55.97 55.17 2jtc s LYS 64 Cb 0.10 -0.53 -0.04 0.00 -1.51 0.00 0.00 37.83 35.85 2jtc s LYS 64 CO 0.57 0.15 1.18 0.41 -0.36 0.00 0.00 175.35 177.30 2jtc n GLY 65 N 2.89 0.25 0.12 5.54 0.00 -0.99 -4.89 105.19 108.12 2jtc n GLY 65 Ca -0.13 -0.10 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 2jtc n GLY 65 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2jtc h LEU 66 N 0.74 0.27 -7.29 0.99 6.46 -1.51 -3.38 115.31 111.60 2jtc h LEU 66 Ca -0.50 -0.78 -0.12 0.00 -0.12 0.00 0.00 57.88 56.36 2jtc h LEU 66 Cb 1.34 -0.09 -0.24 0.00 -0.73 0.00 0.00 40.66 40.94 2jtc h LEU 66 CO 0.53 1.68 -0.24 -0.75 -0.62 0.00 0.00 178.44 179.04 2jtc s LYS 67 N -2.47 0.47 1.01 1.25 2.20 -1.14 -4.50 119.74 116.55 2jtc s LYS 67 Ca -0.24 0.63 -0.11 0.00 -0.36 0.00 0.00 55.97 55.88 2jtc s LYS 67 Cb 0.06 0.18 0.20 0.00 -1.51 0.00 0.00 37.83 36.76 2jtc s LYS 67 CO 0.71 -0.08 1.08 0.16 -0.36 0.00 0.00 175.35 176.86 2jtc s ASP 68 N 0.47 2.24 -0.11 1.43 -4.77 -1.26 -3.57 116.67 111.10 2jtc s ASP 68 Ca -0.02 1.75 -0.12 0.00 -3.30 0.00 0.00 52.55 50.87 2jtc s ASP 68 Cb -0.04 -2.37 0.03 0.00 -1.09 0.00 0.00 42.92 39.45 2jtc s ASP 68 CO -0.02 -3.46 0.32 -0.47 0.70 0.00 0.00 175.17 172.24 2jtc s TYR 69 N -2.64 -0.33 0.10 2.11 6.14 -0.58 -4.82 117.35 117.34 2jtc s TYR 69 Ca 0.67 0.77 -0.09 0.00 0.64 0.00 0.00 57.07 59.06 2jtc s TYR 69 Cb -0.23 0.11 -0.00 0.00 0.42 0.00 0.00 41.96 42.27 2jtc s TYR 69 CO 0.60 -0.20 0.21 -0.08 0.64 0.00 0.00 175.55 176.72 2jtc s THR 70 N -0.03 0.13 0.07 4.34 -1.32 -1.26 0.88 115.64 118.45 2jtc s THR 70 Ca -0.02 -1.23 -0.25 0.00 -1.21 0.00 0.00 61.69 58.98 2jtc s THR 70 Cb -0.03 -1.45 0.06 0.00 -1.51 0.00 0.00 72.50 69.58 2jtc s THR 70 CO 0.01 -0.58 0.59 -0.72 -2.21 0.00 0.00 174.62 171.71 2jtc s TYR 71 N -3.88 -0.52 -0.13 9.09 1.13 -0.44 -4.95 117.35 117.63 2jtc s TYR 71 Ca 0.08 0.56 -0.17 0.00 -1.41 0.00 0.00 57.07 56.12 2jtc s TYR 71 Cb 0.05 0.45 -0.04 0.00 -1.10 0.00 0.00 41.96 41.31 2jtc s TYR 71 CO -0.09 -0.73 0.42 0.99 -2.51 0.00 0.00 175.55 173.64 2jtc s THR 72 N -2.74 5.22 0.58 -3.49 2.01 -1.26 -0.52 115.64 115.45 2jtc s THR 72 Ca -0.04 0.83 -0.18 0.00 0.31 0.00 0.00 61.69 62.61 2jtc s THR 72 Cb -0.01 -3.76 -0.09 0.00 0.01 0.00 0.00 72.50 68.65 2jtc s THR 72 CO -0.04 0.34 0.40 -0.11 -0.69 0.00 0.00 174.62 174.52 2jtc n LEU 73 N 3.68 -0.06 -4.77 4.42 7.94 0.33 -4.85 117.00 123.69 2jtc n LEU 73 Ca -0.08 0.70 -0.41 0.00 -1.11 0.00 0.00 56.01 55.11 2jtc n LEU 73 Cb 0.52 -1.12 -0.00 0.00 0.53 0.00 0.00 43.42 43.35 2jtc n LEU 73 CO 0.42 -3.39 1.08 -0.55 -1.11 0.00 0.00 177.39 173.84 2jtc s SER 74 N -1.17 6.34 0.00 1.96 0.15 -1.26 -4.80 113.70 114.92 2jtc s SER 74 Ca 0.66 2.93 0.12 0.00 0.70 0.00 0.00 55.95 60.37 2jtc s SER 74 Cb -0.44 -2.66 0.67 0.00 -1.71 0.00 0.00 66.02 61.88 2jtc s SER 74 CO 0.57 -0.86 1.27 -1.54 1.20 0.00 0.00 173.24 173.88 2jtc n SER 75 N 0.39 0.00 -0.21 5.45 3.41 -1.26 -1.48 113.62 119.92 2jtc n SER 75 Ca 0.02 -0.06 0.11 0.00 -0.26 0.00 0.00 58.87 58.67 2jtc n SER 75 Cb 0.40 -0.19 -0.04 0.00 -0.26 0.00 0.00 64.21 64.12 2jtc n SER 75 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2jtc n ASN 76 N -1.19 1.40 -4.61 4.04 5.15 -1.26 -4.89 115.26 113.90 2jtc n ASN 76 Ca 0.07 -1.18 -0.43 0.00 -0.60 0.00 0.00 54.58 52.45 2jtc n ASN 76 Cb 0.08 0.73 -0.02 0.00 -0.53 0.00 0.00 39.78 40.04 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 -2.77 6.17 -0.03 1.20 3.84 -0.55 -4.84 114.94 117.95 2jtc s ASN 77 Ca 0.13 1.28 0.09 0.00 0.21 0.00 0.00 52.86 54.57 2jtc s ASN 77 Cb 0.17 -2.53 0.30 0.00 -0.55 0.00 0.00 41.25 38.64 2jtc s ASN 77 CO 0.73 -1.49 1.17 -0.81 -2.79 0.00 0.00 177.10 173.92 2jtc n PRO 78 N 8.08 2.03 0.00 0.43 -0.04 -1.26 -3.89 135.00 140.35 2jtc n PRO 78 Ca 0.20 -1.21 0.08 0.00 -0.04 0.00 0.00 63.50 62.53 2jtc n PRO 78 Cb 0.47 -1.43 -0.01 0.00 -0.04 0.00 0.00 33.50 32.49 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 0.38 0.00 -4.04 0.54 4.01 -1.26 -3.02 117.16 113.76 2jtc n TYR 79 Ca 0.11 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.77 2jtc n TYR 79 Cb 0.39 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.33 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 -2.01 0.52 0.00 -0.72 0.40 -1.25 0.93 117.98 115.86 2jtc s PHE 80 Ca 0.14 -0.98 0.00 0.00 -0.60 0.00 0.00 56.93 55.48 2jtc s PHE 80 Cb 0.14 -0.31 0.00 0.00 0.51 0.00 0.00 43.02 43.35 2jtc s PHE 80 CO 0.44 -0.49 0.51 0.09 0.70 0.00 0.00 175.22 176.48 2jtc n ASN 81 N -0.01 0.00 0.00 1.36 5.03 -1.26 -4.89 115.26 115.48 2jtc n ASN 81 Ca -0.11 0.51 0.00 0.00 0.87 0.00 0.00 54.58 55.85 2jtc n ASN 81 Cb 0.62 -0.01 0.00 0.00 -1.02 0.00 0.00 39.78 39.37 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 -0.88 0.00 -1.04 3.10 8.25 -1.26 -4.95 115.22 118.44 2jtc n HIS 82 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.19 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 2.75 -3.53 -0.41 -0.04 -1.26 -4.25 135.00 128.26 2jtc n PRO 83 Ca 0.00 -1.65 -0.42 0.00 -0.04 0.00 0.00 63.50 61.40 2jtc n PRO 83 Cb 0.00 -2.48 -0.08 0.00 -0.04 0.00 0.00 33.50 30.90 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 2.27 2.61 -0.21 0.54 2.47 -1.26 -4.96 119.74 121.19 2jtc s LYS 84 Ca 0.58 -1.65 -0.10 0.00 -1.56 0.00 0.00 55.97 53.24 2jtc s LYS 84 Cb 0.18 -3.95 -0.05 0.00 -1.46 0.00 0.00 37.83 32.55 2jtc s LYS 84 CO -0.04 -1.14 0.13 -0.80 0.16 0.00 0.00 175.35 173.67 2jtc s ASN 85 N 2.64 6.17 -0.16 1.43 0.01 -1.26 0.12 114.94 123.90 2jtc s ASN 85 Ca 0.05 0.20 -0.08 0.00 -0.71 0.00 0.00 52.86 52.31 2jtc s ASN 85 Cb -0.26 -2.09 -0.04 0.00 0.41 0.00 0.00 41.25 39.27 2jtc s ASN 85 CO 0.01 0.15 0.12 -0.76 -1.51 0.00 0.00 177.10 175.11 2jtc s LEU 86 N 0.52 4.21 -0.09 0.60 1.02 0.33 -4.89 118.68 120.37 2jtc s LEU 86 Ca 0.08 0.31 0.03 0.00 0.02 0.00 0.00 54.13 54.57 2jtc s LEU 86 Cb -0.12 -2.05 0.00 0.00 0.02 0.00 0.00 46.19 44.04 2jtc s LEU 86 CO -0.00 0.28 -0.20 0.12 0.02 0.00 0.00 176.35 176.57 2jtc s PHE 87 N -0.26 2.22 -0.34 0.29 5.36 -1.26 -1.33 117.98 122.66 2jtc s PHE 87 Ca 0.11 -0.90 -0.08 0.00 -0.96 0.00 0.00 56.93 55.09 2jtc s PHE 87 Cb -0.12 -1.51 0.03 0.00 -0.34 0.00 0.00 43.02 41.08 2jtc s PHE 87 CO 0.01 -0.39 0.13 0.00 -1.46 0.00 0.00 175.22 173.51 2jtc s ALA 88 N 0.48 3.12 -0.17 11.12 0.00 0.25 -4.96 121.76 131.60 2jtc s ALA 88 Ca -0.17 -1.66 -0.04 0.00 0.00 0.00 0.00 51.96 50.09 2jtc s ALA 88 Cb -0.17 -2.33 -0.16 0.00 0.00 0.00 0.00 23.12 20.47 2jtc s ALA 88 CO 0.07 -1.24 2.48 0.00 0.00 0.00 0.00 175.76 177.07 2jtc n ALA 89 N 4.88 4.60 0.02 0.00 0.00 -1.26 -1.53 120.51 127.22 2jtc n ALA 89 Ca -0.13 -1.36 -0.10 0.00 0.00 0.00 0.00 53.44 51.85 2jtc n ALA 89 Cb 0.46 -2.42 -0.04 0.00 0.00 0.00 0.00 19.45 17.45 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 2.51 0.38 -1.17 0.00 2.04 -1.89 0.28 117.51 119.66 2jtc h ILE 90 Ca 0.19 0.00 0.34 0.00 1.00 0.00 0.00 64.86 66.39 2jtc h ILE 90 Cb 0.85 0.38 -0.05 0.00 -0.74 0.00 0.00 36.82 37.27 2jtc h ILE 90 CO 0.52 0.00 1.03 0.77 0.00 0.00 0.00 178.15 180.46 2jtc h SER 91 N -0.35 0.00 -0.60 1.72 4.64 -1.73 1.79 113.55 119.03 2jtc h SER 91 Ca 0.09 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 61.03 2jtc h SER 91 Cb 0.49 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 62.34 2jtc h SER 91 CO -0.30 0.00 -0.08 0.35 -0.87 0.00 0.00 176.83 175.93 2jtc n THR 92 N -3.73 2.77 -3.32 2.95 -2.24 0.91 -4.46 114.28 107.17 2jtc n THR 92 Ca 0.26 -3.15 -0.30 0.00 -2.27 0.00 0.00 64.05 58.59 2jtc n THR 92 Cb 1.40 -0.69 -0.04 0.00 -2.10 0.00 0.00 70.33 68.90 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 3.69 -0.56 -0.78 1.81 0.61 -4.89 118.95 115.38 2jtc s ARG 93 Ca 0.50 0.12 0.01 0.00 -1.72 0.00 0.00 55.73 54.65 2jtc s ARG 93 Cb 0.43 -2.63 0.14 0.00 -0.45 0.00 0.00 34.95 32.44 2jtc s ARG 93 CO 0.01 0.23 0.33 -1.14 -0.68 0.00 0.00 175.30 174.04 2jtc s GLN 94 N -3.35 2.20 -1.06 3.54 -0.44 -1.26 -2.34 119.66 116.95 2jtc s GLN 94 Ca 0.45 -2.58 -0.21 0.00 -2.50 0.00 0.00 55.36 50.52 2jtc s GLN 94 Cb -0.11 -3.48 0.07 0.00 -1.64 0.00 0.00 33.01 27.85 2jtc s GLN 94 CO 0.27 -1.13 1.46 0.71 0.50 0.00 0.00 175.29 177.10 2jtc s TYR 95 N -0.20 2.66 -1.08 1.67 2.02 0.51 -4.91 117.35 118.03 2jtc s TYR 95 Ca 0.17 -1.07 -0.22 0.00 -0.37 0.00 0.00 57.07 55.58 2jtc s TYR 95 Cb -0.24 -4.65 0.05 0.00 -0.40 0.00 0.00 41.96 36.72 2jtc s TYR 95 CO -0.01 -1.85 1.54 1.21 -1.57 0.00 0.00 175.55 174.86 2jtc s ASN 96 N 4.65 6.49 0.00 2.29 3.84 -1.26 -4.47 114.94 126.48 2jtc s ASN 96 Ca 0.46 -1.63 0.01 0.00 0.21 0.00 0.00 52.86 51.92 2jtc s ASN 96 Cb 0.00 -2.57 0.07 0.00 -0.55 0.00 0.00 41.25 38.20 2jtc s ASN 96 CO -0.07 -1.52 0.91 0.79 -2.79 0.00 0.00 177.10 174.43 2jtc n TRP 97 N 9.09 0.00 0.22 0.43 7.02 -1.26 0.15 117.44 133.09 2jtc n TRP 97 Ca 0.37 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.96 2jtc n TRP 97 Cb 0.50 -0.35 0.04 0.00 -2.42 0.00 0.00 31.31 29.08 2jtc n TRP 97 CO 0.00 0.00 0.00 -0.97 -2.02 0.00 0.00 177.69 174.70 2jtc h ASN 98 N 0.00 0.00 0.00 -0.99 -0.73 -2.01 -3.33 115.58 108.53 2jtc h ASN 98 Ca 0.00 -0.06 -0.24 0.00 1.87 0.00 0.00 56.30 57.87 2jtc h ASN 98 Cb 0.02 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 38.56 2jtc h ASN 98 CO 0.00 0.03 -2.25 0.59 -0.37 0.00 0.00 177.43 175.43 2jtc n ASN 99 N -2.55 0.02 -3.60 1.15 3.02 0.12 -4.60 115.26 108.82 2jtc n ASN 99 Ca 0.01 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.15 2jtc n ASN 99 Cb 0.52 1.35 -0.02 0.00 -0.61 0.00 0.00 39.78 41.02 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 -2.57 3.00 -1.42 2.41 5.41 -0.24 -4.41 119.36 121.53 2jtc n ILE 100 Ca -0.23 -2.42 -0.39 0.00 1.00 0.00 0.00 62.75 60.72 2jtc n ILE 100 Cb 0.95 -2.49 0.03 0.00 -0.71 0.00 0.00 39.64 37.42 2jtc n ILE 100 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2jtc n LEU 101 N 6.05 -0.25 0.18 1.39 4.77 -1.26 -4.86 117.00 123.02 2jtc n LEU 101 Ca 0.54 0.74 0.13 0.00 -0.03 0.00 0.00 56.01 57.39 2jtc n LEU 101 Cb 0.35 -1.10 0.29 0.00 -2.33 0.00 0.00 43.42 40.64 2jtc n LEU 101 CO 0.92 -3.39 0.85 1.55 -1.33 0.00 0.00 177.39 175.99 2jtc h PRO 102 N 0.27 0.00 -3.38 3.23 0.13 -1.84 -3.44 132.00 126.96 2jtc h PRO 102 Ca -0.44 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.45 2jtc h PRO 102 Cb 1.41 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.23 2jtc h PRO 102 CO 0.47 0.00 -0.62 -0.08 -0.23 0.00 0.00 178.00 177.53 2jtc s THR 103 N -3.21 -0.03 -0.04 1.56 -1.32 -1.17 0.23 115.64 111.66 2jtc s THR 103 Ca 0.08 0.13 0.06 0.00 -1.21 0.00 0.00 61.69 60.75 2jtc s THR 103 Cb 0.08 -0.18 -0.01 0.00 -1.51 0.00 0.00 72.50 70.87 2jtc s THR 103 CO 0.63 0.05 -0.23 -0.31 -2.21 0.00 0.00 174.62 172.55 2jtc s TYR 104 N 0.79 2.23 -2.91 9.09 2.02 -1.25 -4.95 117.35 122.38 2jtc s TYR 104 Ca -0.06 -0.59 0.24 0.00 -0.37 0.00 0.00 57.07 56.29 2jtc s TYR 104 Cb -0.08 -1.46 0.24 0.00 -0.40 0.00 0.00 41.96 40.26 2jtc s TYR 104 CO -0.03 -0.15 1.29 -1.13 -1.57 0.00 0.00 175.55 173.95 2jtc n SER 105 N 2.84 3.08 0.00 2.29 3.41 -1.26 -4.91 113.62 119.07 2jtc n SER 105 Ca -0.17 -2.00 0.00 0.00 -0.26 0.00 0.00 58.87 56.44 2jtc n SER 105 Cb 0.52 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 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 1.38 1.30 0.14 5.00 0.00 -1.26 -4.79 105.19 106.96 2jtc n GLY 106 Ca 0.15 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.22 2jtc n GLY 106 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2jtc n ARG 107 N -2.00 2.70 -0.82 1.61 -4.01 -1.26 -4.96 116.66 107.92 2jtc n ARG 107 Ca 0.00 -0.37 -0.30 0.00 -1.04 0.00 0.00 57.85 56.14 2jtc n ARG 107 Cb 0.00 -1.05 0.18 0.00 -3.04 0.00 0.00 32.46 28.55 2jtc n ARG 107 CO 0.00 0.00 0.00 -1.21 -3.04 0.00 0.00 177.63 173.38 2jtc s GLU 108 N -1.64 0.48 1.24 2.89 8.01 -1.26 -4.98 118.70 123.44 2jtc s GLU 108 Ca 0.07 1.08 -0.16 0.00 0.01 0.00 0.00 54.97 55.96 2jtc s GLU 108 Cb 0.08 -1.70 0.31 0.00 -4.31 0.00 0.00 34.13 28.51 2jtc s GLU 108 CO 0.33 -2.85 1.00 0.45 0.01 0.00 0.00 175.26 174.20 2jtc s SER 109 N -2.88 0.37 0.16 -0.19 0.15 -1.26 -4.85 113.70 105.20 2jtc s SER 109 Ca 0.66 1.24 0.05 0.00 0.70 0.00 0.00 55.95 58.61 2jtc s SER 109 Cb -0.22 -1.89 -0.03 0.00 -1.71 0.00 0.00 66.02 62.17 2jtc s SER 109 CO 0.60 -4.54 1.37 0.78 1.20 0.00 0.00 173.24 172.65 2jtc h ASN 110 N -2.86 0.11 0.23 5.45 2.35 -1.98 -2.97 115.58 115.92 2jtc h ASN 110 Ca -0.56 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.09 2jtc h ASN 110 Cb 1.34 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 39.63 2jtc h ASN 110 CO 0.44 0.94 -0.52 0.58 -1.65 0.00 0.00 177.43 177.23 2jtc h VAL 111 N 0.04 0.00 -0.42 2.81 2.07 -1.98 2.03 116.25 120.80 2jtc h VAL 111 Ca -0.03 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 2jtc h VAL 111 Cb 1.55 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 2jtc h VAL 111 CO 0.13 0.00 0.12 1.56 0.02 0.00 0.00 177.57 179.39 2jtc h GLN 112 N -0.82 0.62 -0.52 1.57 7.50 -1.77 -1.29 115.11 120.39 2jtc h GLN 112 Ca -0.02 -0.10 -0.06 0.00 0.50 0.00 0.00 58.65 58.96 2jtc h GLN 112 Cb 0.79 -0.11 -0.02 0.00 0.05 0.00 0.00 27.48 28.19 2jtc h GLN 112 CO -0.22 0.55 0.08 0.87 -1.50 0.00 0.00 178.83 178.61 2jtc h LYS 113 N 0.61 0.86 -0.81 1.46 1.57 -1.01 -1.91 116.57 117.34 2jtc h LYS 113 Ca 0.14 -0.23 0.03 0.00 -1.87 0.00 0.00 60.65 58.71 2jtc h LYS 113 Cb 0.20 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 2jtc h LYS 113 CO -0.01 0.85 0.53 1.98 -0.57 0.00 0.00 179.45 182.24 2jtc h MET 114 N 0.74 0.99 0.14 3.15 4.05 0.41 0.16 114.93 124.58 2jtc h MET 114 Ca 0.16 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.51 2jtc h MET 114 Cb 0.41 -0.22 -0.00 0.00 -0.80 0.00 0.00 31.60 30.99 2jtc h MET 114 CO 0.01 0.66 -0.10 0.00 0.23 0.00 0.00 176.91 177.71 2jtc h ALA 115 N 1.52 -0.94 -0.64 0.39 0.00 -0.48 -1.52 119.26 117.59 2jtc h ALA 115 Ca 0.31 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 2jtc h ALA 115 Cb -0.01 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2jtc h ALA 115 CO -0.09 -0.94 0.28 0.97 0.00 0.00 0.00 179.25 179.48 2jtc h ILE 116 N -0.23 1.22 -0.97 0.00 6.09 -1.38 -2.42 117.51 119.82 2jtc h ILE 116 Ca -0.02 -0.65 0.07 0.00 -1.37 0.00 0.00 64.86 62.89 2jtc h ILE 116 Cb 0.18 0.42 -0.07 0.00 0.47 0.00 0.00 36.82 37.83 2jtc h ILE 116 CO 0.01 0.27 0.62 0.77 -3.07 0.00 0.00 178.15 176.75 2jtc h SER 117 N 0.92 0.99 -0.35 2.19 4.64 -0.61 0.38 113.55 121.70 2jtc h SER 117 Ca 0.22 0.01 -0.13 0.00 -0.47 0.00 0.00 61.79 61.42 2jtc h SER 117 Cb 0.14 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 2jtc h SER 117 CO -0.02 0.63 -0.29 -0.08 -0.87 0.00 0.00 176.83 176.19 2jtc h GLU 118 N 1.13 0.81 -0.07 4.77 4.81 -0.87 -0.22 114.58 124.94 2jtc h GLU 118 Ca 0.42 -0.41 0.04 0.00 -0.13 0.00 0.00 59.36 59.28 2jtc h GLU 118 Cb 0.18 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.52 2jtc h GLU 118 CO -0.18 1.04 -0.19 1.25 -0.73 0.00 0.00 179.01 180.21 2jtc h LEU 119 N 0.60 -0.57 -0.64 1.64 5.85 -0.77 1.54 115.31 122.96 2jtc h LEU 119 Ca 0.06 0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.90 2jtc h LEU 119 Cb 0.87 0.25 -0.04 0.00 0.37 0.00 0.00 40.66 42.10 2jtc h LEU 119 CO 0.08 -0.24 0.40 0.24 -0.34 0.00 0.00 178.44 178.57 2jtc h MET 120 N -0.27 0.75 -0.50 1.25 2.86 -0.85 1.71 114.93 119.88 2jtc h MET 120 Ca 0.08 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.62 2jtc h MET 120 Cb 0.38 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 2jtc h MET 120 CO -0.22 0.50 0.09 0.00 1.06 0.00 0.00 176.91 178.33 2jtc h ALA 121 N 1.28 1.21 0.24 6.32 0.00 0.20 2.24 119.26 130.74 2jtc h ALA 121 Ca 0.26 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2jtc h ALA 121 Cb 0.02 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2jtc h ALA 121 CO -0.10 0.54 -0.12 -0.44 0.00 0.00 0.00 179.25 179.13 2jtc h ASP 122 N 0.75 -0.28 0.66 0.00 3.32 0.39 -0.74 116.42 120.52 2jtc h ASP 122 Ca 0.16 -0.25 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 2jtc h ASP 122 Cb 0.33 0.07 0.01 0.00 0.22 0.00 0.00 39.33 39.96 2jtc h ASP 122 CO 0.00 0.17 -0.32 0.58 -1.72 0.00 0.00 179.24 177.96 2jtc h VAL 123 N -0.81 0.25 -0.70 -1.35 2.07 0.28 0.89 116.25 116.89 2jtc h VAL 123 Ca -0.03 -0.22 0.14 0.00 0.82 0.00 0.00 66.70 67.41 2jtc h VAL 123 Cb 0.51 0.31 -0.13 0.00 -1.52 0.00 0.00 31.29 30.46 2jtc h VAL 123 CO 0.06 0.02 -0.16 1.23 0.02 0.00 0.00 177.57 178.74 2jtc h GLY 124 N -1.05 0.52 0.82 2.17 0.00 0.36 0.60 103.07 106.49 2jtc h GLY 124 Ca -0.09 0.22 -0.04 0.00 0.00 0.00 0.00 47.33 47.42 2jtc h GLY 124 CO 0.15 -0.26 -0.35 -2.22 0.00 0.00 0.00 176.54 173.86 2jtc h ILE 125 N 0.01 0.14 -1.27 2.60 2.04 -0.97 0.43 117.51 120.49 2jtc h ILE 125 Ca 0.34 -0.23 0.37 0.00 1.00 0.00 0.00 64.86 66.34 2jtc h ILE 125 Cb 0.52 0.18 -0.05 0.00 -0.74 0.00 0.00 36.82 36.73 2jtc h ILE 125 CO -0.71 0.01 0.97 0.77 0.00 0.00 0.00 178.15 179.19 2jtc h SER 126 N -1.17 0.00 -0.96 1.72 4.64 0.25 1.06 113.55 119.09 2jtc h SER 126 Ca -0.10 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.63 2jtc h SER 126 Cb 0.77 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 62.56 2jtc h SER 126 CO 0.16 0.00 0.69 1.33 -0.87 0.00 0.00 176.83 178.14 2jtc n VAL 127 N -4.01 3.39 -4.11 0.95 0.24 0.19 -4.71 118.33 110.27 2jtc n VAL 127 Ca 0.28 -2.62 -0.31 0.00 -2.04 0.00 0.00 64.34 59.65 2jtc n VAL 127 Cb 1.38 -0.88 -0.07 0.00 -1.47 0.00 0.00 33.84 32.80 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 -1.00 -0.01 -4.70 -1.34 9.92 0.37 -3.85 116.55 115.94 2jtc n ASP 128 Ca 0.60 -1.15 -0.42 0.00 -0.53 0.00 0.00 54.79 53.29 2jtc n ASP 128 Cb 1.05 -1.41 -0.03 0.00 -0.64 0.00 0.00 41.12 40.09 2jtc n ASP 128 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 2jtc s MET 129 N -6.98 4.23 -0.16 -1.24 1.75 0.14 -4.46 119.30 112.59 2jtc s MET 129 Ca 0.09 2.25 -0.29 0.00 -1.25 0.00 0.00 55.69 56.49 2jtc s MET 129 Cb -0.05 -3.44 -0.01 0.00 2.84 0.00 0.00 34.83 34.17 2jtc s MET 129 CO 0.89 -0.64 1.23 -0.51 -0.65 0.00 0.00 175.02 175.34 2jtc s ASP 130 N 1.86 6.97 -0.32 1.11 1.11 0.48 -4.88 116.67 123.00 2jtc s ASP 130 Ca 0.70 1.67 -0.11 0.00 0.18 0.00 0.00 52.55 55.00 2jtc s ASP 130 Cb -0.39 -2.54 -0.01 0.00 1.07 0.00 0.00 42.92 41.05 2jtc s ASP 130 CO 0.31 -0.73 0.18 -0.31 1.18 0.00 0.00 175.17 175.80 2jtc s TYR 131 N 3.31 3.20 0.00 4.23 2.02 -1.26 -2.16 117.35 126.68 2jtc s TYR 131 Ca 0.54 -0.44 0.00 0.00 -0.37 0.00 0.00 57.07 56.80 2jtc s TYR 131 Cb -0.21 -2.39 0.00 0.00 -0.40 0.00 0.00 41.96 38.95 2jtc s TYR 131 CO 0.15 -0.42 0.00 0.41 -1.57 0.00 0.00 175.55 174.12 2jtc n GLY 132 N 5.02 3.69 0.24 0.71 0.00 -1.26 -4.86 105.19 108.73 2jtc n GLY 132 Ca -0.13 -1.13 0.06 0.00 0.00 0.00 0.00 46.02 44.81 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 0.07 -6.15 1.61 0.13 -1.91 -1.75 132.00 124.01 2jtc h PRO 133 Ca 0.00 -0.01 -0.68 0.00 -0.87 0.00 0.00 66.00 64.44 2jtc h PRO 133 Cb 0.00 -0.01 -0.18 0.00 0.13 0.00 0.00 31.00 30.94 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 4.73 -0.24 1.44 0.01 -1.26 -4.10 113.70 107.29 2jtc s SER 134 Ca -0.05 -0.02 0.01 0.00 1.31 0.00 0.00 55.95 57.21 2jtc s SER 134 Cb 0.16 -1.20 0.06 0.00 0.21 0.00 0.00 66.02 65.26 2jtc s SER 134 CO 0.70 0.35 -0.06 -0.44 0.41 0.00 0.00 173.24 174.19 2jtc s SER 135 N -0.93 4.02 0.00 2.44 0.01 -1.26 -4.63 113.70 113.35 2jtc s SER 135 Ca 0.13 -1.26 0.02 0.00 1.31 0.00 0.00 55.95 56.16 2jtc s SER 135 Cb -0.11 -1.27 -0.04 0.00 0.21 0.00 0.00 66.02 64.81 2jtc s SER 135 CO 0.03 -0.23 -0.02 -0.83 0.41 0.00 0.00 173.24 172.60 2jtc s GLY 136 N 1.32 1.84 0.00 3.44 0.00 -0.92 -3.60 107.32 109.39 2jtc s GLY 136 Ca -0.06 -0.98 0.00 0.00 0.00 0.00 0.00 44.72 43.68 2jtc s GLY 136 CO -0.06 -0.85 0.00 -1.26 0.00 0.00 0.00 173.10 170.93 2jtc n SER 137 N 1.42 1.75 -0.09 1.64 2.88 -1.26 0.18 113.62 120.14 2jtc n SER 137 Ca -0.15 -0.37 -0.16 0.00 -1.33 0.00 0.00 58.87 56.86 2jtc n SER 137 Cb 0.53 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.91 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 0.68 0.00 -1.46 0.00 -1.25 -3.12 120.51 112.36 2jtc n ALA 138 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.94 2jtc n ALA 138 Cb 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.15 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 1.49 0.35 0.33 0.00 0.00 -1.26 -2.17 105.19 103.94 2jtc n GLY 139 Ca -0.24 -1.43 -0.07 0.00 0.00 0.00 0.00 46.02 44.28 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 -1.08 -0.96 1.61 0.02 -1.93 0.30 113.55 111.51 2jtc h SER 140 Ca 0.00 0.19 0.27 0.00 -0.84 0.00 0.00 61.79 61.41 2jtc h SER 140 Cb 0.00 0.51 -0.14 0.00 0.14 0.00 0.00 62.40 62.92 2jtc h SER 140 CO 0.00 -0.32 0.49 0.77 -1.14 0.00 0.00 176.83 176.63 2jtc h SER 141 N -0.24 0.44 0.18 3.07 4.64 -1.96 1.59 113.55 121.27 2jtc h SER 141 Ca 0.18 0.17 -0.26 0.00 -0.47 0.00 0.00 61.79 61.41 2jtc h SER 141 Cb 0.54 0.13 0.02 0.00 -0.31 0.00 0.00 62.40 62.78 2jtc h SER 141 CO -0.55 -0.05 -1.18 0.03 -0.87 0.00 0.00 176.83 174.21 2jtc h ARG 142 N 0.39 0.38 0.17 4.77 2.47 -1.54 -2.94 114.38 118.08 2jtc h ARG 142 Ca 0.65 -0.65 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 2jtc h ARG 142 Cb 1.34 0.24 0.00 0.00 -1.65 0.00 0.00 29.97 29.91 2jtc h ARG 142 CO -0.56 1.31 -0.08 0.28 0.56 0.00 0.00 179.97 181.48 2jtc h VAL 143 N -0.16 0.96 -0.61 2.04 2.07 0.17 1.14 116.25 121.85 2jtc h VAL 143 Ca -0.22 -0.80 0.08 0.00 0.82 0.00 0.00 66.70 66.58 2jtc h VAL 143 Cb 1.87 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 33.02 2jtc h VAL 143 CO 0.18 0.18 0.41 0.06 0.02 0.00 0.00 177.57 178.42 2jtc h GLN 144 N -0.63 0.49 0.02 1.57 -0.00 0.20 1.12 115.11 117.88 2jtc h GLN 144 Ca -0.02 -0.03 -0.00 0.00 -0.00 0.00 0.00 58.65 58.60 2jtc h GLN 144 Cb 0.47 -0.11 0.00 0.00 -0.00 0.00 0.00 27.48 27.84 2jtc h GLN 144 CO 0.04 0.32 -0.01 -0.09 -0.00 0.00 0.00 178.83 179.09 2jtc h ARG 145 N 0.50 -0.03 -0.44 0.06 2.43 -1.32 -3.18 114.38 112.40 2jtc h ARG 145 Ca 0.28 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.44 2jtc h ARG 145 Cb 0.43 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 2jtc h ARG 145 CO -0.08 0.69 0.23 0.00 -1.51 0.00 0.00 179.97 179.29 2jtc h ALA 146 N -0.08 1.56 -0.11 2.80 0.00 0.19 0.92 119.26 124.55 2jtc h ALA 146 Ca -0.00 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.85 2jtc h ALA 146 Cb 0.74 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 2jtc h ALA 146 CO 0.01 0.36 -0.07 -0.07 0.00 0.00 0.00 179.25 179.48 2jtc h LEU 147 N 0.62 -0.21 0.14 0.00 3.38 0.12 0.25 115.31 119.61 2jtc h LEU 147 Ca 0.16 0.05 -0.34 0.00 0.09 0.00 0.00 57.88 57.84 2jtc h LEU 147 Cb 0.05 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 2jtc h LEU 147 CO -0.02 -0.09 -1.77 0.11 0.09 0.00 0.00 178.44 176.76 2jtc h LYS 148 N -0.07 0.30 -0.04 1.13 1.57 -1.45 0.45 116.57 118.46 2jtc h LYS 148 Ca 0.06 -0.52 -0.01 0.00 -1.87 0.00 0.00 60.65 58.32 2jtc h LYS 148 Cb 0.16 0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 2jtc h LYS 148 CO -0.15 1.25 -0.02 0.93 -0.57 0.00 0.00 179.45 180.89 2jtc h GLU 149 N -0.03 0.09 0.05 3.15 5.08 0.87 -1.59 114.58 122.20 2jtc h GLU 149 Ca -0.37 -0.04 -0.36 0.00 -1.00 0.00 0.00 59.36 57.59 2jtc h GLU 149 Cb 1.98 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 31.19 2jtc h GLU 149 CO 0.10 0.47 -2.05 0.09 -1.00 0.00 0.00 179.01 176.62 2jtc n ASN 150 N -4.83 2.02 -1.49 1.42 5.03 0.66 -4.07 115.26 114.01 2jtc n ASN 150 Ca -0.07 0.18 0.09 0.00 0.87 0.00 0.00 54.58 55.64 2jtc n ASN 150 Cb 0.23 -0.76 0.34 0.00 -1.02 0.00 0.00 39.78 38.57 2jtc n ASN 150 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 2jtc n PHE 151 N -3.71 1.43 -3.80 3.10 3.72 0.14 -1.76 117.46 116.57 2jtc n PHE 151 Ca -0.39 -0.64 -0.32 0.00 -0.05 0.00 0.00 57.45 56.05 2jtc n PHE 151 Cb 0.94 -0.26 -0.06 0.00 -0.94 0.00 0.00 39.48 39.16 2jtc n PHE 151 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jtc n GLY 152 N 0.87 -0.30 3.62 1.37 0.00 -0.25 -4.62 105.19 105.88 2jtc n GLY 152 Ca 0.25 0.05 -0.30 0.00 0.00 0.00 0.00 46.02 46.02 2jtc n GLY 152 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jtc s TYR 153 N -2.73 1.67 0.41 1.61 1.51 0.14 -4.84 117.35 115.13 2jtc s TYR 153 Ca 0.62 1.49 -0.23 0.00 -1.01 0.00 0.00 57.07 57.94 2jtc s TYR 153 Cb -0.36 -3.21 -0.12 0.00 -0.11 0.00 0.00 41.96 38.15 2jtc s TYR 153 CO 0.78 -3.09 0.64 -1.71 -1.11 0.00 0.00 175.55 171.06 2jtc n ASN 154 N -4.40 -0.47 0.34 2.29 2.85 0.19 -4.60 115.26 111.45 2jtc n ASN 154 Ca 0.08 0.94 0.15 0.00 -0.11 0.00 0.00 54.58 55.64 2jtc n ASN 154 Cb 0.53 -1.16 0.82 0.00 1.24 0.00 0.00 39.78 41.22 2jtc n ASN 154 CO 0.00 0.00 0.00 1.56 -2.11 0.00 0.00 177.26 176.71 2jtc h GLN 155 N 0.94 0.00 0.00 1.20 1.08 -1.88 0.97 115.11 117.42 2jtc h GLN 155 Ca -0.41 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.79 2jtc h GLN 155 Cb 1.39 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.82 2jtc h GLN 155 CO 0.53 0.00 0.16 -1.13 -0.95 0.00 0.00 178.83 177.43 2jtc n SER 156 N -2.88 0.41 -4.66 1.46 3.41 -1.26 -4.52 113.62 105.58 2jtc n SER 156 Ca -0.02 0.64 -0.42 0.00 -0.26 0.00 0.00 58.87 58.80 2jtc n SER 156 Cb 0.37 -0.64 -0.03 0.00 -0.26 0.00 0.00 64.21 63.66 2jtc n SER 156 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2jtc s VAL 157 N -3.38 3.54 0.14 -3.33 1.01 0.33 -4.48 120.40 114.23 2jtc s VAL 157 Ca -0.02 0.65 -0.10 0.00 0.00 0.00 0.00 61.98 62.51 2jtc s VAL 157 Cb 0.05 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 33.01 2jtc s VAL 157 CO 0.15 -0.06 0.28 -1.38 0.00 0.00 0.00 175.10 174.09 2jtc s HIS 158 N 4.12 0.23 0.01 5.22 -3.43 -1.17 -4.95 115.29 115.32 2jtc s HIS 158 Ca 0.75 -0.61 -0.00 0.00 -0.80 0.00 0.00 55.06 54.40 2jtc s HIS 158 Cb -0.34 0.01 -0.04 0.00 -1.43 0.00 0.00 32.58 30.78 2jtc s HIS 158 CO 0.31 -0.68 0.09 -1.14 -2.00 0.00 0.00 174.74 171.32 2jtc s GLN 159 N -3.91 3.08 0.19 -0.38 0.74 -1.26 -1.42 119.66 116.70 2jtc s GLN 159 Ca 0.12 -0.50 0.10 0.00 0.05 0.00 0.00 55.36 55.13 2jtc s GLN 159 Cb 0.03 -2.86 -0.04 0.00 1.10 0.00 0.00 33.01 31.24 2jtc s GLN 159 CO -0.05 0.63 -0.21 0.96 -0.55 0.00 0.00 175.29 176.07 2jtc s ILE 160 N -1.25 2.16 -0.28 -2.34 -4.36 0.80 -4.88 121.20 111.04 2jtc s ILE 160 Ca 0.25 -2.03 0.02 0.00 -0.26 0.00 0.00 60.65 58.63 2jtc s ILE 160 Cb -0.12 -2.03 0.08 0.00 1.25 0.00 0.00 42.46 41.63 2jtc s ILE 160 CO 0.16 -0.22 -0.02 0.20 0.24 0.00 0.00 174.94 175.30 2jtc s ASN 161 N -2.75 4.30 0.35 4.36 0.01 -1.26 0.96 114.94 120.91 2jtc s ASN 161 Ca 0.20 -1.59 0.13 0.00 -0.71 0.00 0.00 52.86 50.89 2jtc s ASN 161 Cb -0.07 -1.37 0.98 0.00 0.41 0.00 0.00 41.25 41.20 2jtc s ASN 161 CO 0.09 -0.29 1.73 -0.09 -1.51 0.00 0.00 177.10 177.03 2jtc h ARG 162 N 7.82 0.48 0.00 -0.60 9.65 0.19 0.93 114.38 132.85 2jtc h ARG 162 Ca -0.13 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 58.71 2jtc h ARG 162 Cb 1.04 -0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 29.51 2jtc h ARG 162 CO 0.46 0.32 -0.02 0.78 2.80 0.00 0.00 179.97 184.32 2jtc h GLY 163 N 0.50 0.00 -1.38 2.80 0.00 -1.90 -1.94 103.07 101.15 2jtc h GLY 163 Ca 0.64 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.97 2jtc h GLY 163 CO -0.44 0.00 -0.08 1.22 0.00 0.00 0.00 176.54 177.24 2jtc n ASP 164 N -3.91 2.41 -4.72 0.19 8.00 0.31 -4.99 116.55 113.85 2jtc n ASP 164 Ca -0.03 -1.71 -0.29 0.00 0.71 0.00 0.00 54.79 53.47 2jtc n ASP 164 Cb 0.10 0.10 -0.08 0.00 -0.02 0.00 0.00 41.12 41.22 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 -1.70 2.21 -0.11 1.24 0.40 -0.63 -5.00 117.98 114.39 2jtc s PHE 165 Ca 0.21 -0.78 -0.09 0.00 -0.60 0.00 0.00 56.93 55.67 2jtc s PHE 165 Cb 0.16 -1.76 -0.04 0.00 0.51 0.00 0.00 43.02 41.88 2jtc s PHE 165 CO 0.29 0.24 0.20 -1.54 0.70 0.00 0.00 175.22 175.10 2jtc s SER 166 N -3.86 6.46 0.22 1.36 1.04 -1.26 -4.85 113.70 112.81 2jtc s SER 166 Ca 0.25 0.55 -0.03 0.00 0.48 0.00 0.00 55.95 57.20 2jtc s SER 166 Cb 0.05 -2.11 0.46 0.00 0.10 0.00 0.00 66.02 64.51 2jtc s SER 166 CO 0.13 0.36 1.19 1.17 0.98 0.00 0.00 173.24 177.07 2jtc n LYS 167 N 2.15 -0.06 0.35 4.02 4.81 -1.26 0.23 118.16 128.40 2jtc n LYS 167 Ca -0.18 1.17 -0.15 0.00 -0.87 0.00 0.00 58.31 58.27 2jtc n LYS 167 Cb 0.54 -1.79 -0.07 0.00 0.02 0.00 0.00 35.03 33.73 2jtc n LYS 167 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 2jtc h GLN 168 N 0.00 -0.89 0.00 1.64 7.50 -1.99 -2.16 115.11 119.21 2jtc h GLN 168 Ca 0.41 0.06 0.00 0.00 0.50 0.00 0.00 58.65 59.62 2jtc h GLN 168 Cb 0.74 0.20 0.00 0.00 0.05 0.00 0.00 27.48 28.47 2jtc h GLN 168 CO -0.75 -0.57 0.00 -0.44 -1.50 0.00 0.00 178.83 175.57 2jtc h ASP 169 N -1.19 0.00 -0.03 1.46 3.32 -1.01 -1.66 116.42 117.31 2jtc h ASP 169 Ca -0.09 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.90 2jtc h ASP 169 Cb 0.73 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.28 2jtc h ASP 169 CO 0.15 0.00 -0.18 -0.25 -1.72 0.00 0.00 179.24 177.25 2jtc h TRP 170 N 0.00 0.24 -0.03 4.55 2.91 0.33 -3.05 115.95 120.90 2jtc h TRP 170 Ca 0.00 -0.11 -0.12 0.00 1.13 0.00 0.00 58.89 59.79 2jtc h TRP 170 Cb 0.14 -0.04 -0.01 0.00 -0.51 0.00 0.00 29.16 28.74 2jtc h TRP 170 CO 0.00 0.83 -0.53 0.93 -1.03 0.00 0.00 178.44 178.63 2jtc h GLU 171 N -0.41 0.09 -0.68 2.65 5.08 -0.81 -2.87 114.58 117.63 2jtc h GLU 171 Ca -0.01 -0.05 0.12 0.00 -1.00 0.00 0.00 59.36 58.41 2jtc h GLU 171 Cb 0.85 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.02 2jtc h GLU 171 CO 0.04 0.60 0.24 0.00 -1.00 0.00 0.00 179.01 178.89 2jtc h ALA 172 N 1.39 0.91 -0.82 3.43 0.00 -1.29 1.84 119.26 124.71 2jtc h ALA 172 Ca -0.00 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2jtc h ALA 172 Cb 0.97 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 2jtc h ALA 172 CO 0.07 -0.22 0.47 1.96 0.00 0.00 0.00 179.25 181.54 2jtc h GLN 173 N 0.40 1.13 0.04 0.00 1.08 -1.40 -0.16 115.11 116.20 2jtc h GLN 173 Ca 0.36 -0.12 -0.00 0.00 -1.45 0.00 0.00 58.65 57.44 2jtc h GLN 173 Cb 0.52 -0.23 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 2jtc h GLN 173 CO -0.37 0.81 -0.02 0.82 -0.95 0.00 0.00 178.83 179.12 2jtc h ILE 174 N 1.13 1.36 -0.85 2.54 2.04 -0.43 -3.05 117.51 120.25 2jtc h ILE 174 Ca 0.29 -1.53 0.08 0.00 1.00 0.00 0.00 64.86 64.70 2jtc h ILE 174 Cb -0.00 2.34 -0.07 0.00 -0.74 0.00 0.00 36.82 38.35 2jtc h ILE 174 CO -0.05 0.37 0.51 -0.78 0.00 0.00 0.00 178.15 178.20 2jtc h ASP 175 N -0.75 0.76 -0.81 1.72 1.82 0.27 0.18 116.42 119.61 2jtc h ASP 175 Ca -0.01 0.03 0.14 0.00 -0.39 0.00 0.00 57.03 56.81 2jtc h ASP 175 Cb 0.65 -0.12 -0.09 0.00 0.68 0.00 0.00 39.33 40.45 2jtc h ASP 175 CO 0.01 0.45 0.38 0.50 -1.61 0.00 0.00 179.24 178.97 2jtc h LYS 176 N 0.88 0.53 0.18 0.28 3.11 -1.07 1.75 116.57 122.24 2jtc h LYS 176 Ca 0.39 -0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 58.19 2jtc h LYS 176 Cb 0.29 -0.12 -0.00 0.00 -1.00 0.00 0.00 32.23 31.40 2jtc h LYS 176 CO -0.22 0.35 -0.10 0.93 -2.81 0.00 0.00 179.45 177.61 2jtc h GLU 177 N 0.55 -0.25 0.00 1.90 4.39 -0.57 -2.11 114.58 118.49 2jtc h GLU 177 Ca 0.44 0.02 -0.05 0.00 0.34 0.00 0.00 59.36 60.11 2jtc h GLU 177 Cb 0.64 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 2jtc h GLU 177 CO -0.38 -0.17 -0.25 -0.07 -1.16 0.00 0.00 179.01 176.99 2jtc h LEU 178 N -0.26 0.00 -1.19 1.33 3.38 0.22 0.77 115.31 119.56 2jtc h LEU 178 Ca -0.02 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.13 2jtc h LEU 178 Cb 0.21 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.87 2jtc h LEU 178 CO 0.03 0.25 0.61 0.77 0.09 0.00 0.00 178.44 180.19 2jtc h SER 179 N 0.00 0.67 -0.90 -0.43 4.64 0.33 1.32 113.55 119.17 2jtc h SER 179 Ca -0.00 0.07 -0.46 0.00 -0.47 0.00 0.00 61.79 60.93 2jtc h SER 179 Cb 0.64 -0.05 -0.27 0.00 -0.31 0.00 0.00 62.40 62.40 2jtc h SER 179 CO 0.03 0.27 0.54 0.00 -0.87 0.00 0.00 176.83 176.80 2jtc n GLN 180 N -4.65 2.32 -3.84 4.77 6.02 -1.00 -4.88 117.38 116.12 2jtc n GLN 180 Ca 0.21 -3.04 -0.24 0.00 -0.01 0.00 0.00 57.00 53.92 2jtc n GLN 180 Cb 0.58 -2.14 0.01 0.00 1.02 0.00 0.00 30.24 29.71 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 -1.07 -1.01 -4.01 1.08 4.13 0.45 -4.95 115.26 109.88 2jtc n ASN 181 Ca 0.55 -0.91 -0.30 0.00 1.68 0.00 0.00 54.58 55.60 2jtc n ASN 181 Cb 1.58 -3.56 -0.16 0.00 -1.54 0.00 0.00 39.78 36.10 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 -6.30 2.16 1.13 3.52 -0.21 0.27 -4.91 119.66 115.32 2jtc s GLN 182 Ca 0.06 -0.72 -0.14 0.00 0.02 0.00 0.00 55.36 54.58 2jtc s GLN 182 Cb -0.03 -2.28 0.26 0.00 1.00 0.00 0.00 33.01 31.96 2jtc s GLN 182 CO 0.85 -0.34 1.05 -1.25 -2.12 0.00 0.00 175.29 173.48 2jtc s PRO 183 N 1.44 -0.66 -0.18 2.91 0.04 -1.26 -1.42 135.00 135.86 2jtc s PRO 183 Ca 0.02 0.52 0.00 0.00 0.04 0.00 0.00 61.00 61.58 2jtc s PRO 183 Cb -0.15 -1.61 0.04 0.00 0.04 0.00 0.00 34.50 32.82 2jtc s PRO 183 CO -0.09 -3.47 -0.09 0.08 0.04 0.00 0.00 177.00 173.47 2jtc s VAL 184 N -2.71 1.45 -0.22 -0.36 1.01 0.12 -4.45 120.40 115.25 2jtc s VAL 184 Ca 0.68 -0.84 -0.29 0.00 0.00 0.00 0.00 61.98 61.52 2jtc s VAL 184 Cb -0.20 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 2jtc s VAL 184 CO 0.60 0.18 1.82 -0.47 0.00 0.00 0.00 175.10 177.24 2jtc s TYR 185 N 1.49 1.75 0.20 5.22 6.14 -0.48 -1.79 117.35 129.88 2jtc s TYR 185 Ca -0.00 0.44 0.09 0.00 0.64 0.00 0.00 57.07 58.25 2jtc s TYR 185 Cb -0.16 -4.04 -0.05 0.00 0.42 0.00 0.00 41.96 38.14 2jtc s TYR 185 CO -0.08 -3.48 -0.18 -0.47 0.64 0.00 0.00 175.55 171.98 2jtc s TYR 186 N 6.15 1.95 -0.27 4.97 6.14 -0.99 0.22 117.35 135.53 2jtc s TYR 186 Ca 0.81 -0.45 -0.15 0.00 0.64 0.00 0.00 57.07 57.92 2jtc s TYR 186 Cb -0.28 -0.92 0.08 0.00 0.42 0.00 0.00 41.96 41.26 2jtc s TYR 186 CO 0.33 0.44 0.65 1.14 0.64 0.00 0.00 175.55 178.76 2jtc s GLN 187 N -3.16 0.67 -0.44 4.97 -2.07 -0.68 0.07 119.66 119.02 2jtc s GLN 187 Ca 0.21 1.18 -0.20 0.00 -1.82 0.00 0.00 55.36 54.72 2jtc s GLN 187 Cb -0.04 0.13 0.03 0.00 -1.09 0.00 0.00 33.01 32.03 2jtc s GLN 187 CO 0.09 -0.15 0.63 0.20 -1.32 0.00 0.00 175.29 174.74 2jtc s GLY 188 N 1.63 1.72 0.99 2.60 0.00 0.27 -2.79 107.32 111.74 2jtc s GLY 188 Ca -0.10 -1.26 -0.12 0.00 0.00 0.00 0.00 44.72 43.24 2jtc s GLY 188 CO -0.19 1.51 1.08 0.14 0.00 0.00 0.00 173.10 175.65 2jtc s VAL 189 N 2.79 2.32 0.00 1.40 1.01 -1.24 -1.77 120.40 124.91 2jtc s VAL 189 Ca 0.22 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.30 2jtc s VAL 189 Cb -0.15 -2.44 0.00 0.00 0.00 0.00 0.00 36.38 33.79 2jtc s VAL 189 CO 0.18 -0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.76 2jtc n GLY 190 N -0.53 1.38 0.08 4.51 0.00 -0.80 -4.50 105.19 105.34 2jtc n GLY 190 Ca 0.06 0.11 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 0.00 1.61 1.57 -1.85 -3.36 116.57 114.54 2jtc h LYS 191 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2jtc h LYS 191 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2jtc h LYS 191 CO 0.00 0.41 0.00 1.33 -0.57 0.00 0.00 179.45 180.62 2jtc n VAL 192 N -4.58 1.64 0.00 0.50 0.24 -1.26 -4.93 118.33 109.94 2jtc n VAL 192 Ca -0.15 0.41 0.00 0.00 -2.04 0.00 0.00 64.34 62.56 2jtc n VAL 192 Cb 0.38 -1.38 0.00 0.00 -1.47 0.00 0.00 33.84 31.37 2jtc n VAL 192 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jtc n GLY 193 N -1.27 0.66 3.50 7.63 0.00 -1.26 -4.62 105.19 109.83 2jtc n GLY 193 Ca 0.01 -2.01 -0.43 0.00 0.00 0.00 0.00 46.02 43.59 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 1.66 0.01 -0.02 0.00 -0.92 -1.90 107.32 106.15 2jtc s GLY 194 Ca 0.00 -1.38 -0.30 0.00 0.00 0.00 0.00 44.72 43.03 2jtc s GLY 194 CO 0.00 1.64 1.35 -1.58 0.00 0.00 0.00 173.10 174.50 2jtc s HIS 195 N 3.03 3.01 0.26 1.90 2.46 -0.73 -4.43 115.29 120.79 2jtc s HIS 195 Ca 0.22 0.95 0.12 0.00 0.47 0.00 0.00 55.06 56.81 2jtc s HIS 195 Cb -0.15 -3.60 -0.05 0.00 -0.13 0.00 0.00 32.58 28.65 2jtc s HIS 195 CO 0.17 -2.13 -0.18 0.00 -2.47 0.00 0.00 174.74 170.13 2jtc s ALA 196 N 2.09 2.78 0.00 1.58 0.00 -1.26 0.95 121.76 127.90 2jtc s ALA 196 Ca 0.62 -1.81 0.00 0.00 0.00 0.00 0.00 51.96 50.77 2jtc s ALA 196 Cb -0.31 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.46 2jtc s ALA 196 CO 0.26 0.30 0.00 1.97 0.00 0.00 0.00 175.76 178.30 2jtc n PHE 197 N -0.52 -0.07 -3.85 0.00 1.16 0.11 -3.84 117.46 110.44 2jtc n PHE 197 Ca -0.06 0.00 -0.15 0.00 -1.87 0.00 0.00 57.45 55.37 2jtc n PHE 197 Cb 0.59 0.00 -0.15 0.00 -1.61 0.00 0.00 39.48 38.31 2jtc n PHE 197 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 2jtc s VAL 198 N -2.39 0.03 -0.28 1.97 1.01 -1.08 -2.35 120.40 117.31 2jtc s VAL 198 Ca 0.00 0.11 -0.12 0.00 0.00 0.00 0.00 61.98 61.97 2jtc s VAL 198 Cb 0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 36.38 36.22 2jtc s VAL 198 CO 0.00 0.08 0.23 -0.63 0.00 0.00 0.00 175.10 174.77 2jtc s ILE 199 N 0.70 5.28 -0.14 2.22 1.01 -0.74 0.52 121.20 130.06 2jtc s ILE 199 Ca -0.06 0.25 0.20 0.00 0.00 0.00 0.00 60.65 61.04 2jtc s ILE 199 Cb -0.09 -3.56 0.45 0.00 0.01 0.00 0.00 42.46 39.27 2jtc s ILE 199 CO -0.02 0.23 1.17 -0.90 0.00 0.00 0.00 174.94 175.43 2jtc n ASP 200 N 5.09 1.75 -3.60 3.58 5.68 0.11 0.14 116.55 129.30 2jtc n ASP 200 Ca -0.13 -2.63 -0.03 0.00 -0.50 0.00 0.00 54.79 51.50 2jtc n ASP 200 Cb 0.52 -0.40 -0.01 0.00 -1.14 0.00 0.00 41.12 40.09 2jtc n ASP 200 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 2jtc s GLY 201 N -2.88 -0.35 -0.05 6.12 0.00 -1.19 0.26 107.32 109.24 2jtc s GLY 201 Ca 0.35 1.10 -0.05 0.00 0.00 0.00 0.00 44.72 46.12 2jtc s GLY 201 CO -0.09 0.33 0.15 0.00 0.00 0.00 0.00 173.10 173.49 2jtc s ALA 202 N -2.62 -0.37 -0.79 3.20 0.00 0.36 -1.13 121.76 120.41 2jtc s ALA 202 Ca 0.10 0.38 0.11 0.00 0.00 0.00 0.00 51.96 52.55 2jtc s ALA 202 Cb 0.01 -0.22 0.31 0.00 0.00 0.00 0.00 23.12 23.22 2jtc s ALA 202 CO -0.04 -0.08 1.26 -3.47 0.00 0.00 0.00 175.76 173.42 2jtc n ASP 203 N 2.86 2.98 0.00 0.00 2.03 0.68 0.15 116.55 125.25 2jtc n ASP 203 Ca -0.13 -2.12 0.00 0.00 0.52 0.00 0.00 54.79 53.06 2jtc n ASP 203 Cb 0.59 -0.26 0.00 0.00 -0.72 0.00 0.00 41.12 40.73 2jtc n ASP 203 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jtc n GLY 204 N 0.34 1.52 2.13 0.27 0.00 -1.24 -4.72 105.19 103.48 2jtc n GLY 204 Ca 0.12 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 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 2.64 -3.71 1.61 1.74 -1.26 -4.58 116.66 113.10 2jtc n ARG 205 Ca 0.00 -1.50 -0.28 0.00 -0.77 0.00 0.00 57.85 55.30 2jtc n ARG 205 Cb 0.00 -2.29 0.02 0.00 -1.02 0.00 0.00 32.46 29.18 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 2.79 -4.74 -4.21 0.55 4.13 -1.26 -4.96 115.26 107.56 2jtc n ASN 206 Ca 0.56 -0.65 -0.30 0.00 1.68 0.00 0.00 54.58 55.87 2jtc n ASN 206 Cb 0.66 -3.81 -0.16 0.00 -1.54 0.00 0.00 39.78 34.92 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 -3.21 2.23 0.24 3.10 0.08 -1.26 -4.76 117.98 114.41 2jtc s PHE 207 Ca 0.58 -0.73 0.10 0.00 0.12 0.00 0.00 56.93 57.00 2jtc s PHE 207 Cb -0.29 -1.49 -0.05 0.00 -0.57 0.00 0.00 43.02 40.63 2jtc s PHE 207 CO 0.71 -0.25 -0.18 0.71 -0.10 0.00 0.00 175.22 176.12 2jtc s TYR 208 N 0.03 2.03 -0.30 0.36 1.51 -1.03 0.25 117.35 120.20 2jtc s TYR 208 Ca -0.07 -0.44 -0.18 0.00 -1.01 0.00 0.00 57.07 55.37 2jtc s TYR 208 Cb -0.14 -0.91 -0.02 0.00 -0.11 0.00 0.00 41.96 40.78 2jtc s TYR 208 CO 0.04 0.55 0.50 -1.58 -1.11 0.00 0.00 175.55 173.96 2jtc s HIS 209 N -2.68 3.22 -0.06 2.71 2.46 -0.28 -1.14 115.29 119.53 2jtc s HIS 209 Ca 0.26 0.42 0.03 0.00 0.47 0.00 0.00 55.06 56.24 2jtc s HIS 209 Cb -0.03 -2.80 -0.02 0.00 -0.13 0.00 0.00 32.58 29.59 2jtc s HIS 209 CO 0.11 -0.39 -0.15 0.08 -2.47 0.00 0.00 174.74 171.92 2jtc s VAL 210 N 2.33 2.99 -1.01 0.89 1.01 0.45 0.10 120.40 127.15 2jtc s VAL 210 Ca 0.20 -0.74 -0.06 0.00 0.00 0.00 0.00 61.98 61.37 2jtc s VAL 210 Cb -0.15 -2.17 0.25 0.00 0.00 0.00 0.00 36.38 34.30 2jtc s VAL 210 CO 0.11 0.58 0.96 0.21 0.00 0.00 0.00 175.10 176.96 2jtc s ASN 211 N -0.58 6.73 1.03 3.32 3.84 0.18 -2.05 114.94 127.43 2jtc s ASN 211 Ca 0.08 -3.63 -0.20 0.00 0.21 0.00 0.00 52.86 49.32 2jtc s ASN 211 Cb -0.11 -2.08 -0.05 0.00 -0.55 0.00 0.00 41.25 38.46 2jtc s ASN 211 CO 0.01 -0.25 -0.57 0.79 -2.79 0.00 0.00 177.10 174.30 2jtc n TRP 212 N 2.57 -2.07 -0.41 0.43 5.03 -1.26 -2.64 117.44 119.09 2jtc n TRP 212 Ca 0.22 0.29 -0.09 0.00 3.03 0.00 0.00 57.50 60.95 2jtc n TRP 212 Cb 0.38 -1.52 0.03 0.00 -1.03 0.00 0.00 31.31 29.18 2jtc n TRP 212 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 2jtc n GLY 213 N 2.66 3.26 0.16 6.99 0.00 -1.25 -4.81 105.19 112.19 2jtc n GLY 213 Ca 0.00 -0.57 -0.01 0.00 0.00 0.00 0.00 46.02 45.45 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 0.56 -0.54 -0.06 1.61 7.02 -1.26 -4.86 117.44 119.90 2jtc n TRP 214 Ca 0.18 -0.10 -0.12 0.00 -1.02 0.00 0.00 57.50 56.44 2jtc n TRP 214 Cb 0.64 -0.02 -0.04 0.00 -2.42 0.00 0.00 31.31 29.47 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 4.73 -0.33 1.17 6.99 0.00 -1.26 -4.81 105.19 111.68 2jtc n GLY 215 Ca -0.01 -0.16 0.04 0.00 0.00 0.00 0.00 46.02 45.90 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 2.03 2.74 0.00 -0.02 0.00 -1.26 -4.98 105.19 103.70 2jtc n GLY 216 Ca -0.21 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.18 0.00 -0.46 1.61 3.14 -1.26 -4.78 118.33 116.40 2jtc n VAL 217 Ca 0.12 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.41 2jtc n VAL 217 Cb 0.96 -1.08 -0.05 0.00 -1.06 0.00 0.00 33.84 32.60 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 2.64 -4.65 6.55 7.64 -1.26 -4.84 113.62 119.70 2jtc n SER 218 Ca 0.00 -2.01 -0.42 0.00 1.01 0.00 0.00 58.87 57.46 2jtc n SER 218 Cb 0.00 -0.70 -0.04 0.00 -1.01 0.00 0.00 64.21 62.46 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 2.94 6.85 0.00 6.43 1.11 -1.26 -4.79 116.67 127.95 2jtc s ASP 219 Ca 0.29 1.05 0.00 0.00 0.18 0.00 0.00 52.55 54.07 2jtc s ASP 219 Cb 0.12 -2.43 0.00 0.00 1.07 0.00 0.00 42.92 41.67 2jtc s ASP 219 CO -0.01 -0.47 0.00 0.61 1.18 0.00 0.00 175.17 176.48 2jtc n GLY 220 N 3.69 -0.64 3.26 0.21 0.00 -0.87 -4.99 105.19 105.86 2jtc n GLY 220 Ca 0.05 0.52 -0.34 0.00 0.00 0.00 0.00 46.02 46.24 2jtc n GLY 220 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2jtc s PHE 221 N 0.00 2.86 0.35 1.61 -0.71 -1.26 0.17 117.98 121.00 2jtc s PHE 221 Ca 0.00 -1.09 0.05 0.00 -1.04 0.00 0.00 56.93 54.85 2jtc s PHE 221 Cb 0.00 -1.99 -0.03 0.00 -1.21 0.00 0.00 43.02 39.79 2jtc s PHE 221 CO 0.00 -0.55 0.19 -0.06 -1.34 0.00 0.00 175.22 173.46 2jtc s PHE 222 N 1.16 1.71 0.79 3.49 0.40 -0.29 -4.88 117.98 120.36 2jtc s PHE 222 Ca 0.01 -1.45 -0.05 0.00 -0.60 0.00 0.00 56.93 54.85 2jtc s PHE 222 Cb -0.14 -0.90 0.15 0.00 0.51 0.00 0.00 43.02 42.63 2jtc s PHE 222 CO -0.04 -0.57 1.09 1.03 0.70 0.00 0.00 175.22 177.43 2jtc s ARG 223 N -3.66 1.39 -0.14 0.44 3.00 -1.26 -2.45 118.95 116.27 2jtc s ARG 223 Ca 0.33 -0.91 0.16 0.00 0.00 0.00 0.00 55.73 55.31 2jtc s ARG 223 Cb 0.03 -2.19 0.31 0.00 0.00 0.00 0.00 34.95 33.10 2jtc s ARG 223 CO 0.20 -1.72 1.16 1.28 0.00 0.00 0.00 175.30 176.22 2jtc n LEU 224 N -3.10 2.32 -0.09 2.53 7.99 -1.26 -4.66 117.00 120.73 2jtc n LEU 224 Ca 0.15 -3.19 -0.11 0.00 -0.01 0.00 0.00 56.01 52.85 2jtc n LEU 224 Cb 0.60 -0.43 -0.10 0.00 -0.11 0.00 0.00 43.42 43.38 2jtc n LEU 224 CO 0.43 0.86 -1.07 -0.90 -1.51 0.00 0.00 177.39 175.20 2jtc n ASP 225 N -1.27 2.04 -3.91 -1.43 5.68 -1.26 -4.82 116.55 111.59 2jtc n ASP 225 Ca 0.16 -0.06 -0.30 0.00 -0.50 0.00 0.00 54.79 54.08 2jtc n ASP 225 Cb 0.66 0.16 -0.15 0.00 -1.14 0.00 0.00 41.12 40.66 2jtc n ASP 225 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2jtc s ALA 226 N -2.37 2.58 -1.13 2.12 0.00 -1.26 -5.03 121.76 116.66 2jtc s ALA 226 Ca -0.18 -2.49 -0.15 0.00 0.00 0.00 0.00 51.96 49.14 2jtc s ALA 226 Cb 0.06 -1.92 0.16 0.00 0.00 0.00 0.00 23.12 21.42 2jtc s ALA 226 CO 0.51 -1.79 1.34 -0.51 0.00 0.00 0.00 175.76 175.31 2jtc s LEU 227 N 0.77 5.10 0.01 0.00 2.01 -1.26 -4.87 118.68 120.44 2jtc s LEU 227 Ca 0.13 -2.75 0.07 0.00 0.01 0.00 0.00 54.13 51.58 2jtc s LEU 227 Cb -0.21 -2.39 -0.03 0.00 0.01 0.00 0.00 46.19 43.57 2jtc s LEU 227 CO -0.09 -0.82 -0.20 0.54 1.01 0.00 0.00 176.35 176.79 2jtc s ASN 228 N 3.00 3.63 0.95 2.29 4.22 -1.26 -4.78 114.94 122.99 2jtc s ASN 228 Ca 0.39 -0.39 -0.15 0.00 -2.14 0.00 0.00 52.86 50.57 2jtc s ASN 228 Cb -0.04 -0.58 0.17 0.00 1.28 0.00 0.00 41.25 42.09 2jtc s ASN 228 CO -0.03 0.29 1.24 -2.16 -2.04 0.00 0.00 177.10 174.40 2jtc s PRO 229 N -1.06 0.80 0.10 3.55 0.04 -1.26 -5.05 135.00 132.12 2jtc s PRO 229 Ca 0.12 -0.15 0.00 0.00 0.04 0.00 0.00 61.00 61.02 2jtc s PRO 229 Cb -0.10 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.60 2jtc s PRO 229 CO 0.02 -2.35 0.00 0.43 0.04 0.00 0.00 177.00 175.15 2jtc n SER 230 N -3.78 0.99 -4.64 6.66 7.64 -1.26 -4.98 113.62 114.25 2jtc n SER 230 Ca 0.12 0.15 -0.43 0.00 1.01 0.00 0.00 58.87 59.72 2jtc n SER 230 Cb 0.60 -0.28 -0.02 0.00 -1.01 0.00 0.00 64.21 63.49 2jtc n SER 230 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jtc s ALA 231 N -2.00 3.49 0.00 -0.43 0.00 -1.26 -4.88 121.76 116.68 2jtc s ALA 231 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.26 2jtc s ALA 231 Cb 0.00 -3.71 0.00 0.00 0.00 0.00 0.00 23.12 19.41 2jtc s ALA 231 CO 0.00 -1.52 0.00 1.28 0.00 0.00 0.00 175.76 175.52 2jtc n LEU 232 N 7.25 0.00 0.00 0.00 4.32 -1.26 -4.60 117.00 122.71 2jtc n LEU 232 Ca 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.14 2jtc n LEU 232 Cb 0.46 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.26 2jtc n LEU 232 CO 0.60 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.38 2jtc n GLY 233 N 3.86 3.35 0.23 -0.72 0.00 -1.26 -2.09 105.19 108.57 2jtc n GLY 233 Ca 0.00 -0.15 -0.17 0.00 0.00 0.00 0.00 46.02 45.71 2jtc n GLY 233 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2jtc h THR 234 N 0.00 1.27 -1.57 2.61 1.35 -2.05 -3.31 112.91 111.22 2jtc h THR 234 Ca 0.00 -1.91 -0.76 0.00 -0.55 0.00 0.00 66.41 63.18 2jtc h THR 234 Cb 0.00 1.89 -0.17 0.00 -1.73 0.00 0.00 68.15 68.14 2jtc h THR 234 CO 0.00 0.61 1.93 0.61 -0.25 0.00 0.00 175.52 178.42 2jtc n GLY 235 N 0.62 5.15 3.61 5.82 0.00 -0.89 -4.96 105.19 114.55 2jtc n GLY 235 Ca -0.07 -2.20 -0.42 0.00 0.00 0.00 0.00 46.02 43.33 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 0.08 1.67 0.00 -0.02 0.00 -1.19 -4.54 107.32 103.32 2jtc s GLY 236 Ca 0.44 -0.42 0.00 0.00 0.00 0.00 0.00 44.72 44.74 2jtc s GLY 236 CO -0.04 1.84 0.00 0.61 0.00 0.00 0.00 173.10 175.51 2jtc n GLY 237 N 4.23 -2.75 2.45 0.20 0.00 -1.26 -4.78 105.19 103.27 2jtc n GLY 237 Ca 0.05 -0.52 -0.31 0.00 0.00 0.00 0.00 46.02 45.24 2jtc n GLY 237 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jtc n ALA 238 N -3.00 5.73 -1.13 4.61 0.00 -1.26 -4.61 120.51 120.84 2jtc n ALA 238 Ca 0.00 -3.95 -0.22 0.00 0.00 0.00 0.00 53.44 49.26 2jtc n ALA 238 Cb 0.00 -1.15 -0.11 0.00 0.00 0.00 0.00 19.45 18.19 2jtc n ALA 238 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jtc n GLY 239 N -0.65 3.51 0.00 0.00 0.00 -1.26 -4.29 105.19 102.50 2jtc n GLY 239 Ca 0.50 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 2.85 2.52 3.84 -0.02 0.00 -1.26 -4.94 105.19 108.17 2jtc n GLY 240 Ca 0.56 -1.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.14 2jtc n GLY 240 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2jtc s PHE 241 N 4.42 2.90 -0.42 1.61 -0.12 -1.26 -4.97 117.98 120.14 2jtc s PHE 241 Ca 0.00 0.99 -0.05 0.00 -0.05 0.00 0.00 56.93 57.83 2jtc s PHE 241 Cb 0.00 -3.23 0.11 0.00 -0.63 0.00 0.00 43.02 39.27 2jtc s PHE 241 CO 0.00 -1.76 0.23 1.21 -0.05 0.00 0.00 175.22 174.86 2jtc s ASN 242 N -4.15 5.37 -0.15 1.98 3.04 -1.26 -4.07 114.94 115.70 2jtc s ASN 242 Ca 0.61 -1.94 0.01 0.00 0.04 0.00 0.00 52.86 51.58 2jtc s ASN 242 Cb -0.13 -1.88 -0.10 0.00 -1.54 0.00 0.00 41.25 37.60 2jtc s ASN 242 CO 0.53 -0.57 -0.14 0.61 -3.04 0.00 0.00 177.10 174.49 2jtc n GLY 243 N 4.69 -0.21 2.53 1.21 0.00 -1.26 -4.87 105.19 107.28 2jtc n GLY 243 Ca -0.05 -0.10 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 2jtc n GLY 243 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jtc s TYR 244 N -2.30 1.46 -0.27 1.61 2.02 -1.26 -4.89 117.35 113.71 2jtc s TYR 244 Ca -0.21 -2.28 -0.19 0.00 -0.37 0.00 0.00 57.07 54.02 2jtc s TYR 244 Cb 0.06 -1.32 -0.02 0.00 -0.40 0.00 0.00 41.96 40.28 2jtc s TYR 244 CO 0.35 -0.79 0.57 -0.65 -1.57 0.00 0.00 175.55 173.46 2jtc s GLN 245 N 0.21 4.02 0.17 -0.62 -0.21 -1.26 -3.62 119.66 118.35 2jtc s GLN 245 Ca 0.25 0.36 0.01 0.00 0.02 0.00 0.00 55.36 56.00 2jtc s GLN 245 Cb -0.10 -3.67 -0.04 0.00 1.00 0.00 0.00 33.01 30.19 2jtc s GLN 245 CO -0.10 -0.43 0.02 -1.54 -2.12 0.00 0.00 175.29 171.12 2jtc s SER 246 N 1.55 1.00 0.08 5.90 1.04 -1.12 0.20 113.70 122.35 2jtc s SER 246 Ca 0.23 -1.19 -0.02 0.00 0.48 0.00 0.00 55.95 55.45 2jtc s SER 246 Cb -0.15 0.16 -0.04 0.00 0.10 0.00 0.00 66.02 66.09 2jtc s SER 246 CO 0.10 -0.61 0.03 0.00 0.98 0.00 0.00 173.24 173.73 2jtc s ALA 247 N -3.75 0.52 -0.26 5.32 0.00 0.27 -1.69 121.76 122.18 2jtc s ALA 247 Ca 0.24 -1.22 -0.01 0.00 0.00 0.00 0.00 51.96 50.98 2jtc s ALA 247 Cb 0.06 0.48 0.04 0.00 0.00 0.00 0.00 23.12 23.70 2jtc s ALA 247 CO 0.04 -0.43 -0.07 0.08 0.00 0.00 0.00 175.76 175.39 2jtc s VAL 248 N -3.95 2.74 -0.02 0.00 1.01 0.60 0.28 120.40 121.06 2jtc s VAL 248 Ca 0.12 -1.19 0.04 0.00 0.00 0.00 0.00 61.98 60.95 2jtc s VAL 248 Cb 0.07 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 2jtc s VAL 248 CO -0.06 0.12 -0.11 0.68 0.00 0.00 0.00 175.10 175.73 2jtc s VAL 249 N 1.27 3.36 0.00 2.92 -7.23 -0.51 -1.38 120.40 118.84 2jtc s VAL 249 Ca -0.02 -0.78 0.00 0.00 -1.81 0.00 0.00 61.98 59.37 2jtc s VAL 249 Cb -0.18 -2.40 0.00 0.00 0.56 0.00 0.00 36.38 34.36 2jtc s VAL 249 CO -0.04 0.47 0.00 0.61 -0.31 0.00 0.00 175.10 175.83 2jtc n GLY 250 N 1.86 0.68 3.28 2.32 0.00 -1.26 -3.02 105.19 109.05 2jtc n GLY 250 Ca -0.16 -0.39 -0.45 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.19 5.21 -0.05 -0.61 1.01 -1.26 -2.24 121.20 121.07 2jtc s ILE 251 Ca 0.00 -2.62 -0.30 0.00 0.00 0.00 0.00 60.65 57.74 2jtc s ILE 251 Cb 0.00 -4.24 0.09 0.00 0.01 0.00 0.00 42.46 38.31 2jtc s ILE 251 CO 0.00 -1.00 0.77 -1.59 0.00 0.00 0.00 174.94 173.12 2jtc s LYS 252 N 0.06 0.94 0.00 2.79 0.00 -1.26 -4.90 119.74 117.37 2jtc s LYS 252 Ca 0.18 0.11 0.27 0.00 0.00 0.00 0.00 55.97 56.53 2jtc s LYS 252 Cb -0.12 0.44 1.60 0.00 0.00 0.00 0.00 37.83 39.75 2jtc s LYS 252 CO -0.08 -0.32 1.94 -0.35 0.00 0.00 0.00 175.35 176.55