#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 4.68 0.30 3.69 0.04 -1.26 -4.27 135.00 138.17 2jtc s PRO 2 Ca 0.00 1.60 -0.27 0.00 0.04 0.00 0.00 61.00 62.37 2jtc s PRO 2 Cb 0.00 -3.30 -0.10 0.00 0.04 0.00 0.00 34.50 31.14 2jtc s PRO 2 CO 0.00 0.21 0.96 0.08 0.04 0.00 0.00 177.00 178.28 2jtc s VAL 3 N -0.39 4.09 -0.03 -0.36 1.01 -1.26 -4.03 120.40 119.43 2jtc s VAL 3 Ca 0.47 1.85 0.01 0.00 0.00 0.00 0.00 61.98 64.30 2jtc s VAL 3 Cb -0.27 -4.08 0.02 0.00 0.00 0.00 0.00 36.38 32.06 2jtc s VAL 3 CO 0.33 0.25 -0.02 -0.69 0.00 0.00 0.00 175.10 174.97 2jtc s VAL 4 N -1.47 0.29 0.32 2.92 1.01 0.48 -4.81 120.40 119.14 2jtc s VAL 4 Ca 0.48 0.00 -0.05 0.00 0.00 0.00 0.00 61.98 62.41 2jtc s VAL 4 Cb -0.22 -0.35 0.08 0.00 0.00 0.00 0.00 36.38 35.89 2jtc s VAL 4 CO 0.27 0.16 0.38 0.29 0.00 0.00 0.00 175.10 176.20 2jtc n LYS 5 N 4.01 -0.84 -2.52 2.72 4.76 -1.26 0.16 118.16 125.19 2jtc n LYS 5 Ca -0.26 -0.59 -0.41 0.00 -2.87 0.00 0.00 58.31 54.18 2jtc n LYS 5 Cb 0.51 -0.44 -0.03 0.00 -1.84 0.00 0.00 35.03 33.23 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 -2.44 6.18 0.12 4.39 0.15 -1.21 -3.28 113.70 117.61 2jtc s SER 6 Ca 0.22 -0.23 -0.21 0.00 0.70 0.00 0.00 55.95 56.43 2jtc s SER 6 Cb -0.01 -2.56 -0.06 0.00 -1.71 0.00 0.00 66.02 61.68 2jtc s SER 6 CO 0.16 -1.77 1.71 -0.07 1.20 0.00 0.00 173.24 174.47 2jtc h LEU 7 N 12.93 -0.17 -0.70 3.45 3.38 0.30 1.14 115.31 135.64 2jtc h LEU 7 Ca -0.27 0.05 0.09 0.00 0.09 0.00 0.00 57.88 57.83 2jtc h LEU 7 Cb 1.06 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.85 2jtc h LEU 7 CO 1.25 -0.07 0.35 -0.07 0.09 0.00 0.00 178.44 179.99 2jtc h LEU 8 N -0.03 0.47 -0.60 1.67 3.38 -1.90 0.18 115.31 118.48 2jtc h LEU 8 Ca 0.07 0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 2jtc h LEU 8 Cb 0.13 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2jtc h LEU 8 CO -0.16 0.28 -0.20 0.44 0.09 0.00 0.00 178.44 178.89 2jtc h ASP 9 N 0.61 0.91 0.00 -0.43 3.32 -1.49 0.48 116.42 119.82 2jtc h ASP 9 Ca 0.34 -0.33 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2jtc h ASP 9 Cb 0.33 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.63 2jtc h ASP 9 CO -0.25 1.08 0.06 -1.54 -1.72 0.00 0.00 179.24 176.87 2jtc n SER 10 N -4.12 0.52 -0.32 6.45 3.41 0.38 0.23 113.62 120.17 2jtc n SER 10 Ca 0.00 0.72 0.08 0.00 -0.26 0.00 0.00 58.87 59.42 2jtc n SER 10 Cb 0.44 -0.77 0.17 0.00 -0.26 0.00 0.00 64.21 63.79 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 -2.22 1.50 -3.51 4.33 5.02 -0.60 -4.94 118.16 117.73 2jtc n LYS 11 Ca -0.01 -2.84 -0.24 0.00 -2.02 0.00 0.00 58.31 53.20 2jtc n LYS 11 Cb 0.09 -1.57 -0.02 0.00 -0.02 0.00 0.00 35.03 33.51 2jtc n LYS 11 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jtc n GLY 12 N -1.27 -0.47 3.53 0.72 0.00 0.14 -4.74 105.19 103.10 2jtc n GLY 12 Ca 0.18 0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.85 4.65 -0.32 -0.61 1.01 0.16 -3.05 121.20 120.20 2jtc s ILE 13 Ca 0.44 0.33 -0.01 0.00 0.00 0.00 0.00 60.65 61.41 2jtc s ILE 13 Cb -0.24 -4.33 0.10 0.00 0.01 0.00 0.00 42.46 38.00 2jtc s ILE 13 CO 0.54 -0.75 0.12 -1.00 0.00 0.00 0.00 174.94 173.85 2jtc s HIS 14 N 3.27 1.47 0.53 3.97 3.76 0.81 -4.48 115.29 124.61 2jtc s HIS 14 Ca 0.28 -1.65 0.08 0.00 -0.15 0.00 0.00 55.06 53.63 2jtc s HIS 14 Cb -0.13 -1.57 0.05 0.00 1.11 0.00 0.00 32.58 32.05 2jtc s HIS 14 CO 0.21 -0.86 0.61 0.71 -0.85 0.00 0.00 174.74 174.56 2jtc s TYR 15 N 1.58 1.75 0.10 1.40 1.51 -1.26 -3.49 117.35 118.94 2jtc s TYR 15 Ca 0.11 -0.70 -0.00 0.00 -1.01 0.00 0.00 57.07 55.46 2jtc s TYR 15 Cb -0.18 -2.13 0.00 0.00 -0.11 0.00 0.00 41.96 39.54 2jtc s TYR 15 CO -0.24 -0.77 0.13 -1.71 -1.11 0.00 0.00 175.55 171.85 2jtc n ASN 16 N -1.98 -0.36 0.00 2.29 2.85 -1.26 -4.89 115.26 111.90 2jtc n ASN 16 Ca 0.08 -1.55 0.00 0.00 -0.11 0.00 0.00 54.58 53.00 2jtc n ASN 16 Cb 0.62 0.68 0.00 0.00 1.24 0.00 0.00 39.78 42.33 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 -0.17 3.42 -0.03 1.20 6.02 -1.26 -4.79 117.38 121.77 2jtc n GLN 17 Ca 0.01 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.95 2jtc n GLN 17 Cb 0.17 -0.64 -0.03 0.00 1.02 0.00 0.00 30.24 30.76 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 1.37 -0.10 0.00 1.08 0.00 -1.26 -1.30 105.19 104.98 2jtc n GLY 18 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.64 0.00 0.00 1.61 4.05 -1.26 -3.55 115.26 113.47 2jtc n ASN 19 Ca -0.11 0.00 0.07 0.00 0.45 0.00 0.00 54.58 54.99 2jtc n ASN 19 Cb 0.62 0.00 0.42 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 0.73 0.07 1.20 -0.04 -1.26 -2.87 135.00 132.83 2jtc n PRO 20 Ca 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.34 2jtc n PRO 20 Cb 0.00 -1.30 -0.03 0.00 -0.04 0.00 0.00 33.50 32.13 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 0.55 -0.59 0.54 0.05 -1.87 -3.17 116.97 112.48 2jtc h TYR 21 Ca 0.00 -0.30 -0.08 0.00 0.05 0.00 0.00 58.73 58.40 2jtc h TYR 21 Cb 0.00 -0.06 -0.05 0.00 1.01 0.00 0.00 36.73 37.63 2jtc h TYR 21 CO 0.00 1.11 0.11 0.27 -1.05 0.00 0.00 178.16 178.60 2jtc n ASN 22 N -3.74 5.01 0.00 3.88 0.23 -1.14 -4.31 115.26 115.20 2jtc n ASN 22 Ca -0.06 -2.95 0.10 0.00 -0.53 0.00 0.00 54.58 51.14 2jtc n ASN 22 Cb 0.82 -0.69 0.55 0.00 -2.08 0.00 0.00 39.78 38.38 2jtc n ASN 22 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2jtc n LEU 23 N 0.29 0.00 0.00 -4.53 4.77 -1.20 -2.83 117.00 113.50 2jtc n LEU 23 Ca 0.30 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 2jtc n LEU 23 Cb 1.19 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 42.16 2jtc n LEU 23 CO 0.34 -0.04 0.05 0.18 -1.33 0.00 0.00 177.39 176.59 2jtc n LEU 24 N -1.12 0.20 -4.64 2.23 4.77 -1.26 -5.01 117.00 112.17 2jtc n LEU 24 Ca 0.13 -0.38 -0.30 0.00 -0.03 0.00 0.00 56.01 55.43 2jtc n LEU 24 Cb 0.10 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.37 2jtc n LEU 24 CO 0.13 0.05 0.64 0.42 -1.33 0.00 0.00 177.39 177.30 2jtc s THR 25 N -0.35 2.21 0.11 -5.08 -4.23 -1.13 -4.92 115.64 102.25 2jtc s THR 25 Ca 0.00 0.07 -0.31 0.00 -1.18 0.00 0.00 61.69 60.27 2jtc s THR 25 Cb 0.00 -2.17 -0.07 0.00 1.34 0.00 0.00 72.50 71.60 2jtc s THR 25 CO 0.00 -0.09 1.32 -2.16 -0.54 0.00 0.00 174.62 173.16 2jtc s PRO 26 N -4.65 4.36 0.45 3.99 0.04 -1.26 -4.58 135.00 133.35 2jtc s PRO 26 Ca 0.66 1.98 -0.21 0.00 0.04 0.00 0.00 61.00 63.47 2jtc s PRO 26 Cb -0.22 -3.27 -0.09 0.00 0.04 0.00 0.00 34.50 30.95 2jtc s PRO 26 CO 0.59 -0.37 1.01 0.08 0.04 0.00 0.00 177.00 178.36 2jtc s VAL 27 N 1.01 3.94 0.35 -0.36 1.01 -1.26 -1.93 120.40 123.15 2jtc s VAL 27 Ca 0.62 1.27 -0.26 0.00 0.00 0.00 0.00 61.98 63.61 2jtc s VAL 27 Cb -0.35 -3.54 -0.10 0.00 0.00 0.00 0.00 36.38 32.40 2jtc s VAL 27 CO 0.30 -0.21 1.00 -0.63 0.00 0.00 0.00 175.10 175.56 2jtc s ILE 28 N -1.96 3.98 0.00 2.22 1.01 -0.13 -4.86 121.20 121.45 2jtc s ILE 28 Ca 0.64 1.61 0.00 0.00 0.00 0.00 0.00 60.65 62.90 2jtc s ILE 28 Cb -0.15 -3.88 0.00 0.00 0.01 0.00 0.00 42.46 38.43 2jtc s ILE 28 CO 0.19 0.10 0.00 -0.62 0.00 0.00 0.00 174.94 174.62 2jtc n GLU 29 N 0.37 1.85 -4.47 2.79 1.02 -0.87 -0.49 120.64 120.85 2jtc n GLU 29 Ca 0.03 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.92 2jtc n GLU 29 Cb 0.49 -0.91 -0.10 0.00 -0.02 0.00 0.00 31.44 30.91 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 -1.70 1.83 0.10 3.49 1.02 0.84 -4.87 119.74 120.45 2jtc s LYS 30 Ca 0.00 -1.80 0.08 0.00 0.02 0.00 0.00 55.97 54.26 2jtc s LYS 30 Cb 0.00 -1.80 -0.04 0.00 -0.52 0.00 0.00 37.83 35.47 2jtc s LYS 30 CO 0.00 0.24 -0.14 0.08 -0.92 0.00 0.00 175.35 174.61 2jtc s VAL 31 N -2.53 3.11 -0.06 3.17 1.01 -1.23 -4.25 120.40 119.63 2jtc s VAL 31 Ca 0.32 -1.33 -0.30 0.00 0.00 0.00 0.00 61.98 60.67 2jtc s VAL 31 Cb -0.02 -2.43 -0.02 0.00 0.00 0.00 0.00 36.38 33.92 2jtc s VAL 31 CO 0.17 0.15 1.02 -0.75 0.00 0.00 0.00 175.10 175.69 2jtc s LYS 32 N -2.06 4.46 -0.04 2.72 2.20 -1.19 -4.79 119.74 121.04 2jtc s LYS 32 Ca 0.19 1.44 -0.30 0.00 -0.36 0.00 0.00 55.97 56.95 2jtc s LYS 32 Cb -0.11 -3.51 -0.05 0.00 -1.51 0.00 0.00 37.83 32.66 2jtc s LYS 32 CO 0.11 -0.24 1.43 -1.25 -0.36 0.00 0.00 175.35 175.04 2jtc s PRO 33 N 1.65 4.25 0.00 4.03 0.04 -1.26 -2.52 135.00 141.20 2jtc s PRO 33 Ca 0.51 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.51 2jtc s PRO 33 Cb -0.20 -3.70 0.00 0.00 0.04 0.00 0.00 34.50 30.64 2jtc s PRO 33 CO 0.22 -0.66 0.00 0.41 0.04 0.00 0.00 177.00 177.01 2jtc n GLY 34 N 3.74 1.13 2.69 0.56 0.00 -1.26 -5.08 105.19 106.97 2jtc n GLY 34 Ca 0.14 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.02 2jtc n GLY 34 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2jtc n GLU 35 N -1.53 0.43 -1.65 1.61 4.07 -1.05 -5.13 120.64 117.40 2jtc n GLU 35 Ca 0.00 -2.56 -0.29 0.00 -0.06 0.00 0.00 57.16 54.25 2jtc n GLU 35 Cb 0.00 2.23 0.12 0.00 -0.06 0.00 0.00 31.44 33.73 2jtc n GLU 35 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 2jtc s GLN 36 N -2.93 1.52 0.01 5.31 -0.21 -1.26 -4.86 119.66 117.24 2jtc s GLN 36 Ca 0.29 0.29 -0.28 0.00 0.02 0.00 0.00 55.36 55.68 2jtc s GLN 36 Cb 0.01 -1.88 -0.04 0.00 1.00 0.00 0.00 33.01 32.09 2jtc s GLN 36 CO 0.21 -1.94 0.87 0.45 -2.12 0.00 0.00 175.29 172.76 2jtc s SER 37 N -4.17 7.27 -0.14 5.90 0.15 -1.26 -4.54 113.70 116.91 2jtc s SER 37 Ca 0.63 1.53 0.15 0.00 0.70 0.00 0.00 55.95 58.96 2jtc s SER 37 Cb -0.14 -2.52 0.33 0.00 -1.71 0.00 0.00 66.02 61.99 2jtc s SER 37 CO 0.52 -0.15 1.17 0.49 1.20 0.00 0.00 173.24 176.47 2jtc n PHE 38 N 3.52 0.00 -2.47 3.44 3.72 -1.26 -5.04 117.46 119.37 2jtc n PHE 38 Ca 0.02 -1.09 -0.35 0.00 -0.05 0.00 0.00 57.45 55.98 2jtc n PHE 38 Cb 0.51 -0.18 -0.03 0.00 -0.94 0.00 0.00 39.48 38.83 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 -2.56 3.60 0.00 -4.37 1.01 -1.26 -2.57 120.40 114.26 2jtc s VAL 39 Ca 0.32 1.09 0.00 0.00 0.00 0.00 0.00 61.98 63.39 2jtc s VAL 39 Cb 0.30 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 33.19 2jtc s VAL 39 CO -0.03 -0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.56 2jtc n GLY 40 N 0.07 1.32 3.73 4.51 0.00 0.36 -4.91 105.19 110.26 2jtc n GLY 40 Ca 0.08 0.00 -0.39 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 -0.03 4.39 -0.32 1.61 -1.52 -1.06 -4.80 119.66 117.93 2jtc s GLN 41 Ca 0.00 0.75 -0.29 0.00 -1.95 0.00 0.00 55.36 53.87 2jtc s GLN 41 Cb 0.00 -3.42 -0.00 0.00 -0.22 0.00 0.00 33.01 29.36 2jtc s GLN 41 CO 0.00 0.15 1.47 -1.01 -0.25 0.00 0.00 175.29 175.65 2jtc s HIS 42 N 0.55 2.34 0.85 0.91 3.76 -1.26 -0.95 115.29 121.49 2jtc s HIS 42 Ca 0.33 0.69 -0.14 0.00 -0.15 0.00 0.00 55.06 55.80 2jtc s HIS 42 Cb -0.17 -4.09 0.01 0.00 1.11 0.00 0.00 32.58 29.44 2jtc s HIS 42 CO 0.16 -2.25 0.52 0.00 -0.85 0.00 0.00 174.74 172.33 2jtc n ALA 43 N 8.55 -1.94 -1.74 -1.40 0.00 -0.81 -4.85 120.51 118.32 2jtc n ALA 43 Ca 0.17 -0.44 -0.29 0.00 0.00 0.00 0.00 53.44 52.89 2jtc n ALA 43 Cb 0.47 -1.86 0.11 0.00 0.00 0.00 0.00 19.45 18.16 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 -2.17 2.30 0.12 0.00 0.00 -0.87 -4.63 121.76 116.51 2jtc s ALA 44 Ca 0.62 -0.56 -0.01 0.00 0.00 0.00 0.00 51.96 52.00 2jtc s ALA 44 Cb -0.27 -3.00 -0.15 0.00 0.00 0.00 0.00 23.12 19.70 2jtc s ALA 44 CO 0.62 -1.89 1.26 1.79 0.00 0.00 0.00 175.76 177.55 2jtc h THR 45 N -1.21 1.49 0.00 0.00 1.35 -1.51 -3.42 112.91 109.62 2jtc h THR 45 Ca -0.48 -2.81 0.00 0.00 -0.55 0.00 0.00 66.41 62.57 2jtc h THR 45 Cb 1.32 2.67 0.00 0.00 -1.73 0.00 0.00 68.15 70.41 2jtc h THR 45 CO 0.64 0.82 0.00 0.61 -0.25 0.00 0.00 175.52 177.34 2jtc n GLY 46 N 1.18 2.14 0.18 5.82 0.00 -1.25 -4.36 105.19 108.90 2jtc n GLY 46 Ca -0.06 -1.51 -0.08 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.42 -0.55 1.61 4.64 -1.90 0.55 113.55 117.48 2jtc h SER 47 Ca 0.00 0.09 0.10 0.00 -0.47 0.00 0.00 61.79 61.51 2jtc h SER 47 Cb 0.00 0.22 -0.11 0.00 -0.31 0.00 0.00 62.40 62.20 2jtc h SER 47 CO 0.00 -0.17 -0.30 0.58 -0.87 0.00 0.00 176.83 176.07 2jtc h VAL 48 N -0.13 0.22 0.06 0.95 2.07 -1.82 0.94 116.25 118.55 2jtc h VAL 48 Ca 0.11 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.63 2jtc h VAL 48 Cb 0.30 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 2jtc h VAL 48 CO -0.27 0.00 -0.03 0.00 0.02 0.00 0.00 177.57 177.29 2jtc h ALA 49 N 1.07 -0.08 -0.13 1.67 0.00 -1.49 -2.06 119.26 118.23 2jtc h ALA 49 Ca 0.23 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 2jtc h ALA 49 Cb 0.53 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2jtc h ALA 49 CO -0.64 -0.54 -0.10 1.15 0.00 0.00 0.00 179.25 179.12 2jtc h THR 50 N -0.09 1.15 -0.45 0.00 2.02 0.51 0.51 112.91 116.57 2jtc h THR 50 Ca -0.01 -0.66 -0.09 0.00 0.77 0.00 0.00 66.41 66.42 2jtc h THR 50 Cb 0.07 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 2jtc h THR 50 CO 0.01 0.21 -0.08 0.00 0.37 0.00 0.00 175.52 176.03 2jtc h ALA 51 N 1.70 0.62 0.14 6.16 0.00 0.13 -1.30 119.26 126.71 2jtc h ALA 51 Ca 0.04 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2jtc h ALA 51 Cb 0.31 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2jtc h ALA 51 CO 0.02 0.48 -0.07 1.15 0.00 0.00 0.00 179.25 180.83 2jtc h THR 52 N 0.69 0.89 -0.99 0.00 2.02 -0.73 -3.02 112.91 111.77 2jtc h THR 52 Ca 0.12 -1.20 0.16 0.00 0.77 0.00 0.00 66.41 66.25 2jtc h THR 52 Cb 0.61 1.52 -0.09 0.00 -1.74 0.00 0.00 68.15 68.44 2jtc h THR 52 CO 0.04 0.24 0.62 0.00 0.37 0.00 0.00 175.52 176.79 2jtc h ALA 53 N -0.28 1.64 -0.52 6.16 0.00 -0.03 0.84 119.26 127.07 2jtc h ALA 53 Ca -0.02 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2jtc h ALA 53 Cb 0.53 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2jtc h ALA 53 CO 0.03 0.05 0.30 1.96 0.00 0.00 0.00 179.25 181.60 2jtc h GLN 54 N 0.85 0.71 0.00 0.00 4.20 -1.28 1.04 115.11 120.62 2jtc h GLN 54 Ca 0.53 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 59.13 2jtc h GLN 54 Cb 0.72 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 2jtc h GLN 54 CO -0.31 0.53 -0.19 0.82 -0.67 0.00 0.00 178.83 179.01 2jtc h ILE 55 N 0.69 0.59 -0.14 2.54 2.04 -0.63 0.33 117.51 122.94 2jtc h ILE 55 Ca 0.19 -0.88 -0.21 0.00 1.00 0.00 0.00 64.86 64.96 2jtc h ILE 55 Cb 0.01 1.58 0.01 0.00 -0.74 0.00 0.00 36.82 37.67 2jtc h ILE 55 CO -0.03 0.19 -0.76 0.24 0.00 0.00 0.00 178.15 177.78 2jtc h MET 56 N 0.00 0.70 -0.31 2.37 2.86 0.35 -2.72 114.93 118.18 2jtc h MET 56 Ca -0.00 -0.56 -0.09 0.00 -2.06 0.00 0.00 59.70 56.98 2jtc h MET 56 Cb 0.56 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.33 2jtc h MET 56 CO 0.02 1.18 -0.16 -0.22 1.06 0.00 0.00 176.91 178.80 2jtc h LYS 57 N 0.48 0.65 -0.78 1.72 1.63 0.21 2.14 116.57 122.62 2jtc h LYS 57 Ca -0.04 -0.29 0.19 0.00 -0.85 0.00 0.00 60.65 59.66 2jtc h LYS 57 Cb 1.37 -0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 32.94 2jtc h LYS 57 CO 0.15 0.87 0.53 -0.92 -3.45 0.00 0.00 179.45 176.64 2jtc h TYR 58 N 0.40 0.30 0.00 1.91 5.03 -0.28 -2.17 116.97 122.15 2jtc h TYR 58 Ca 0.07 0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.33 2jtc h TYR 58 Cb 0.69 -0.09 -0.01 0.00 1.55 0.00 0.00 36.73 38.86 2jtc h TYR 58 CO 0.06 0.09 -1.68 0.72 -1.32 0.00 0.00 178.16 176.04 2jtc n HIS 59 N -4.42 0.00 -4.13 -3.82 8.25 -1.01 -4.99 115.22 105.10 2jtc n HIS 59 Ca 0.16 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.24 2jtc n HIS 59 Cb 0.69 -0.38 -0.03 0.00 1.12 0.00 0.00 29.99 31.38 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 -2.08 -1.71 0.00 0.41 0.23 0.72 -4.86 115.26 107.96 2jtc n ASN 60 Ca -0.07 -1.21 0.00 0.00 -0.53 0.00 0.00 54.58 52.77 2jtc n ASN 60 Cb 0.48 -1.48 0.00 0.00 -2.08 0.00 0.00 39.78 36.70 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 -4.62 0.00 -2.10 -2.53 9.36 -1.25 -4.69 117.16 111.33 2jtc n TYR 61 Ca -0.19 0.00 -0.40 0.00 3.32 0.00 0.00 57.90 60.62 2jtc n TYR 61 Cb 0.58 -0.47 -0.03 0.00 -0.63 0.00 0.00 39.34 38.79 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 -1.24 2.99 0.50 2.98 0.04 -1.26 -4.77 135.00 134.23 2jtc s PRO 62 Ca 0.00 0.85 0.29 0.00 0.04 0.00 0.00 61.00 62.17 2jtc s PRO 62 Cb 0.00 -4.27 1.21 0.00 0.04 0.00 0.00 34.50 31.48 2jtc s PRO 62 CO 0.00 -2.30 1.94 -0.91 0.04 0.00 0.00 177.00 175.77 2jtc h ASN 63 N 13.55 0.00 -4.09 6.66 2.35 -1.84 -3.39 115.58 128.81 2jtc h ASN 63 Ca -0.28 0.00 -0.35 0.00 -0.55 0.00 0.00 56.30 55.12 2jtc h ASN 63 Cb 1.15 0.00 -0.27 0.00 0.05 0.00 0.00 38.32 39.25 2jtc h ASN 63 CO 1.15 0.12 -0.76 -0.75 -1.65 0.00 0.00 177.43 175.54 2jtc s LYS 64 N -3.76 0.58 0.72 0.81 2.20 -1.26 0.17 119.74 119.19 2jtc s LYS 64 Ca -0.00 -0.35 -0.16 0.00 -0.36 0.00 0.00 55.97 55.10 2jtc s LYS 64 Cb 0.10 -0.54 0.02 0.00 -1.51 0.00 0.00 37.83 35.91 2jtc s LYS 64 CO 0.59 0.14 1.09 0.41 -0.36 0.00 0.00 175.35 177.22 2jtc n GLY 65 N 2.65 -0.13 0.13 5.54 0.00 -0.96 -4.89 105.19 107.53 2jtc n GLY 65 Ca -0.15 -0.33 -0.19 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.08 2.48 -3.72 0.99 0.00 -0.68 -4.29 117.00 109.70 2jtc n LEU 66 Ca 0.14 0.09 -0.13 0.00 0.00 0.00 0.00 56.01 56.10 2jtc n LEU 66 Cb 0.49 -0.85 -0.10 0.00 0.00 0.00 0.00 43.42 42.96 2jtc n LEU 66 CO 0.48 0.83 0.11 -0.75 0.00 0.00 0.00 177.39 178.07 2jtc s LYS 67 N -2.54 0.51 1.14 1.96 2.20 -1.13 -4.59 119.74 117.28 2jtc s LYS 67 Ca -0.25 0.62 -0.13 0.00 -0.36 0.00 0.00 55.97 55.85 2jtc s LYS 67 Cb 0.08 0.23 0.27 0.00 -1.51 0.00 0.00 37.83 36.90 2jtc s LYS 67 CO 0.72 -0.07 1.04 -0.51 -0.36 0.00 0.00 175.35 176.17 2jtc s ASP 68 N 0.30 1.26 -0.18 1.43 1.01 -1.26 -3.37 116.67 115.85 2jtc s ASP 68 Ca -0.01 1.35 -0.14 0.00 0.71 0.00 0.00 52.55 54.47 2jtc s ASP 68 Cb -0.03 -2.10 0.05 0.00 1.01 0.00 0.00 42.92 41.85 2jtc s ASP 68 CO -0.00 -4.00 0.47 -0.47 0.21 0.00 0.00 175.17 171.37 2jtc s TYR 69 N -2.61 -0.59 0.03 4.23 6.14 -0.60 -4.82 117.35 119.14 2jtc s TYR 69 Ca 0.68 1.34 -0.04 0.00 0.64 0.00 0.00 57.07 59.68 2jtc s TYR 69 Cb -0.23 0.24 -0.01 0.00 0.42 0.00 0.00 41.96 42.38 2jtc s TYR 69 CO 0.63 -0.30 0.06 -0.08 0.64 0.00 0.00 175.55 176.49 2jtc s THR 70 N 0.77 0.12 0.02 4.34 -1.32 -1.26 0.10 115.64 118.41 2jtc s THR 70 Ca -0.04 -1.01 -0.24 0.00 -1.21 0.00 0.00 61.69 59.19 2jtc s THR 70 Cb -0.05 -0.67 0.05 0.00 -1.51 0.00 0.00 72.50 70.32 2jtc s THR 70 CO -0.06 -0.56 0.53 -0.72 -2.21 0.00 0.00 174.62 171.61 2jtc s TYR 71 N -2.13 -0.45 -0.17 9.09 1.13 0.68 -4.97 117.35 120.52 2jtc s TYR 71 Ca -0.09 0.61 -0.17 0.00 -1.41 0.00 0.00 57.07 56.00 2jtc s TYR 71 Cb -0.04 0.33 -0.04 0.00 -1.10 0.00 0.00 41.96 41.11 2jtc s TYR 71 CO -0.03 -0.60 0.46 0.99 -2.51 0.00 0.00 175.55 173.86 2jtc s THR 72 N -2.00 5.17 0.45 -3.49 2.01 -1.26 0.30 115.64 116.82 2jtc s THR 72 Ca -0.08 0.86 -0.21 0.00 0.31 0.00 0.00 61.69 62.58 2jtc s THR 72 Cb -0.01 -3.79 -0.13 0.00 0.01 0.00 0.00 72.50 68.58 2jtc s THR 72 CO 0.02 0.25 0.32 -0.11 -0.69 0.00 0.00 174.62 174.41 2jtc n LEU 73 N 4.29 -1.23 -4.75 4.42 7.94 0.36 -4.84 117.00 123.19 2jtc n LEU 73 Ca -0.07 0.82 -0.38 0.00 -1.11 0.00 0.00 56.01 55.27 2jtc n LEU 73 Cb 0.51 -1.02 0.04 0.00 0.53 0.00 0.00 43.42 43.48 2jtc n LEU 73 CO 0.42 -3.56 0.97 -0.55 -1.11 0.00 0.00 177.39 173.55 2jtc s SER 74 N -1.01 5.33 0.00 1.96 0.15 -1.26 -4.77 113.70 114.10 2jtc s SER 74 Ca 0.62 2.71 0.18 0.00 0.70 0.00 0.00 55.95 60.16 2jtc s SER 74 Cb -0.57 -2.63 1.07 0.00 -1.71 0.00 0.00 66.02 62.18 2jtc s SER 74 CO 0.60 -1.52 1.50 -1.54 1.20 0.00 0.00 173.24 173.47 2jtc n SER 75 N -1.01 0.00 -0.05 5.45 3.41 -1.26 -2.16 113.62 117.99 2jtc n SER 75 Ca 0.10 -0.78 0.10 0.00 -0.26 0.00 0.00 58.87 58.04 2jtc n SER 75 Cb 0.45 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.35 2jtc n SER 75 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2jtc n ASN 76 N -0.92 1.04 -4.60 4.04 3.02 -1.26 -4.88 115.26 111.71 2jtc n ASN 76 Ca 0.13 -0.96 -0.43 0.00 -0.03 0.00 0.00 54.58 53.30 2jtc n ASN 76 Cb 0.06 0.85 -0.03 0.00 -0.61 0.00 0.00 39.78 40.05 2jtc n ASN 76 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2jtc s ASN 77 N -2.94 5.97 -0.05 6.41 3.84 -0.92 -4.84 114.94 122.41 2jtc s ASN 77 Ca 0.10 1.14 0.08 0.00 0.21 0.00 0.00 52.86 54.39 2jtc s ASN 77 Cb 0.16 -2.53 0.32 0.00 -0.55 0.00 0.00 41.25 38.66 2jtc s ASN 77 CO 0.81 -1.68 1.15 -0.81 -2.79 0.00 0.00 177.10 173.79 2jtc n PRO 78 N 8.39 2.19 -0.02 0.43 -0.04 -1.26 -3.90 135.00 140.79 2jtc n PRO 78 Ca 0.21 -1.27 0.03 0.00 -0.04 0.00 0.00 63.50 62.44 2jtc n PRO 78 Cb 0.47 -1.52 -0.10 0.00 -0.04 0.00 0.00 33.50 32.31 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 0.37 0.00 -4.45 0.54 4.01 -1.26 -3.16 117.16 113.20 2jtc n TYR 79 Ca 0.11 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.61 2jtc n TYR 79 Cb 0.45 -0.38 -0.10 0.00 -0.31 0.00 0.00 39.34 39.01 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 -2.76 2.43 0.00 -0.72 0.40 -1.25 0.29 117.98 116.38 2jtc s PHE 80 Ca -0.05 -0.42 0.00 0.00 -0.60 0.00 0.00 56.93 55.86 2jtc s PHE 80 Cb 0.07 -1.30 0.00 0.00 0.51 0.00 0.00 43.02 42.30 2jtc s PHE 80 CO 0.54 0.59 0.32 0.09 0.70 0.00 0.00 175.22 177.46 2jtc n ASN 81 N -0.80 0.00 0.00 1.36 3.02 -1.26 -4.86 115.26 112.72 2jtc n ASN 81 Ca -0.05 0.32 0.00 0.00 -0.03 0.00 0.00 54.58 54.82 2jtc n ASN 81 Cb 0.62 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.79 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 -0.50 0.00 -1.01 3.10 8.25 -1.26 -4.94 115.22 118.86 2jtc n HIS 82 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.17 2jtc n HIS 82 Cb 0.00 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.07 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 2.79 -3.81 -0.41 -0.04 -1.26 -4.41 135.00 127.86 2jtc n PRO 83 Ca 0.00 -1.73 -0.36 0.00 -0.04 0.00 0.00 63.50 61.37 2jtc n PRO 83 Cb 0.00 -2.55 -0.12 0.00 -0.04 0.00 0.00 33.50 30.79 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 2.61 3.72 -0.30 0.54 2.47 -1.26 -4.99 119.74 122.53 2jtc s LYS 84 Ca 0.55 -0.45 -0.08 0.00 -1.56 0.00 0.00 55.97 54.43 2jtc s LYS 84 Cb 0.16 -3.31 -0.00 0.00 -1.46 0.00 0.00 37.83 33.21 2jtc s LYS 84 CO -0.04 -0.10 0.12 -0.80 0.16 0.00 0.00 175.35 174.68 2jtc s ASN 85 N 1.39 5.36 -0.17 1.43 0.01 -1.26 0.14 114.94 121.84 2jtc s ASN 85 Ca 0.05 -0.54 -0.15 0.00 -0.71 0.00 0.00 52.86 51.52 2jtc s ASN 85 Cb -0.15 -1.95 -0.04 0.00 0.41 0.00 0.00 41.25 39.51 2jtc s ASN 85 CO 0.04 -0.17 0.33 -0.76 -1.51 0.00 0.00 177.10 175.02 2jtc s LEU 86 N 1.58 4.22 -0.00 0.60 1.02 0.15 -4.89 118.68 121.35 2jtc s LEU 86 Ca 0.04 0.52 0.04 0.00 0.02 0.00 0.00 54.13 54.76 2jtc s LEU 86 Cb -0.17 -2.43 -0.01 0.00 0.02 0.00 0.00 46.19 43.60 2jtc s LEU 86 CO 0.05 0.05 -0.13 0.12 0.02 0.00 0.00 176.35 176.45 2jtc s PHE 87 N 0.69 1.20 -0.25 0.29 2.19 -1.26 -0.23 117.98 120.60 2jtc s PHE 87 Ca 0.18 -0.25 0.00 0.00 0.33 0.00 0.00 56.93 57.19 2jtc s PHE 87 Cb -0.14 -0.76 0.04 0.00 -1.31 0.00 0.00 43.02 40.85 2jtc s PHE 87 CO 0.05 -0.01 -0.08 0.00 1.83 0.00 0.00 175.22 177.01 2jtc s ALA 88 N -0.41 2.63 -0.30 11.12 0.00 0.28 -4.97 121.76 130.11 2jtc s ALA 88 Ca 0.04 -1.58 -0.05 0.00 0.00 0.00 0.00 51.96 50.38 2jtc s ALA 88 Cb -0.06 -1.63 -0.15 0.00 0.00 0.00 0.00 23.12 21.28 2jtc s ALA 88 CO -0.00 -0.96 2.50 0.00 0.00 0.00 0.00 175.76 177.30 2jtc n ALA 89 N 4.58 4.79 0.00 0.00 0.00 -1.26 -1.55 120.51 127.07 2jtc n ALA 89 Ca -0.16 -1.53 -0.10 0.00 0.00 0.00 0.00 53.44 51.66 2jtc n ALA 89 Cb 0.45 -2.52 -0.03 0.00 0.00 0.00 0.00 19.45 17.35 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 2.62 0.41 -0.80 0.00 2.04 -1.89 0.39 117.51 120.28 2jtc h ILE 90 Ca 0.25 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.35 2jtc h ILE 90 Cb 0.78 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 2jtc h ILE 90 CO 0.66 0.00 0.89 0.77 0.00 0.00 0.00 178.15 180.47 2jtc h SER 91 N -0.32 0.00 -0.25 1.72 4.64 -1.74 2.26 113.55 119.86 2jtc h SER 91 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 2jtc h SER 91 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 2jtc h SER 91 CO -0.31 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.00 2jtc n THR 92 N -3.47 2.25 -2.65 2.95 -2.24 0.12 -4.45 114.28 106.80 2jtc n THR 92 Ca 0.17 -1.88 -0.33 0.00 -2.27 0.00 0.00 64.05 59.75 2jtc n THR 92 Cb 1.16 -0.24 -0.05 0.00 -2.10 0.00 0.00 70.33 69.09 2jtc n THR 92 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2jtc s ARG 93 N -2.80 4.08 -0.54 -0.78 1.81 0.76 -4.88 118.95 116.60 2jtc s ARG 93 Ca 0.42 1.09 0.02 0.00 -1.72 0.00 0.00 55.73 55.53 2jtc s ARG 93 Cb 0.34 -2.16 0.14 0.00 -0.45 0.00 0.00 34.95 32.82 2jtc s ARG 93 CO 0.09 -0.16 0.31 -0.65 -0.68 0.00 0.00 175.30 174.21 2jtc s GLN 94 N -3.48 2.14 -0.88 3.54 -1.52 -1.26 -2.27 119.66 115.94 2jtc s GLN 94 Ca 0.62 -2.53 -0.24 0.00 -1.95 0.00 0.00 55.36 51.25 2jtc s GLN 94 Cb -0.10 -3.46 0.05 0.00 -0.22 0.00 0.00 33.01 29.28 2jtc s GLN 94 CO 0.20 -1.12 1.33 0.71 -0.25 0.00 0.00 175.29 176.16 2jtc s TYR 95 N -0.12 2.48 -1.01 0.91 2.02 0.44 -4.93 117.35 117.14 2jtc s TYR 95 Ca 0.16 -0.54 -0.22 0.00 -0.37 0.00 0.00 57.07 56.10 2jtc s TYR 95 Cb -0.24 -4.62 0.07 0.00 -0.40 0.00 0.00 41.96 36.78 2jtc s TYR 95 CO -0.02 -1.94 1.38 1.21 -1.57 0.00 0.00 175.55 174.61 2jtc s ASN 96 N 4.31 6.56 0.00 2.29 2.47 -1.26 -4.47 114.94 124.83 2jtc s ASN 96 Ca 0.39 -1.68 0.02 0.00 0.42 0.00 0.00 52.86 52.02 2jtc s ASN 96 Cb -0.05 -2.52 0.10 0.00 -1.45 0.00 0.00 41.25 37.33 2jtc s ASN 96 CO 0.01 -1.37 0.94 0.79 -3.72 0.00 0.00 177.10 173.76 2jtc n TRP 97 N 8.20 0.00 0.12 0.43 7.02 -1.26 -0.26 117.44 131.70 2jtc n TRP 97 Ca 0.31 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.91 2jtc n TRP 97 Cb 0.50 -0.36 0.01 0.00 -2.42 0.00 0.00 31.31 29.04 2jtc n TRP 97 CO 0.00 0.00 0.00 -0.91 -2.02 0.00 0.00 177.69 174.76 2jtc h ASN 98 N 0.00 0.00 0.02 -0.99 -0.26 -2.01 -3.34 115.58 109.00 2jtc h ASN 98 Ca 0.00 -0.01 -0.29 0.00 -0.56 0.00 0.00 56.30 55.44 2jtc h ASN 98 Cb 0.02 0.00 -0.06 0.00 -1.06 0.00 0.00 38.32 37.23 2jtc h ASN 98 CO 0.00 0.00 -2.29 0.59 -1.06 0.00 0.00 177.43 174.67 2jtc n ASN 99 N -2.66 0.03 -3.45 5.81 3.02 0.64 -4.54 115.26 114.11 2jtc n ASN 99 Ca 0.00 0.01 -0.35 0.00 -0.03 0.00 0.00 54.58 54.21 2jtc n ASN 99 Cb 0.55 1.17 -0.03 0.00 -0.61 0.00 0.00 39.78 40.85 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 -2.66 2.66 -1.41 2.41 5.41 -0.20 -4.43 119.36 121.14 2jtc n ILE 100 Ca -0.27 -1.93 -0.39 0.00 1.00 0.00 0.00 62.75 61.15 2jtc n ILE 100 Cb 1.04 -2.35 0.02 0.00 -0.71 0.00 0.00 39.64 37.64 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 5.61 -0.60 0.18 1.39 4.77 -1.26 -4.84 117.00 122.25 2jtc n LEU 101 Ca 0.52 0.77 0.13 0.00 -0.03 0.00 0.00 56.01 57.40 2jtc n LEU 101 Cb 0.29 -1.07 0.33 0.00 -2.33 0.00 0.00 43.42 40.64 2jtc n LEU 101 CO 0.88 -3.44 0.86 1.55 -1.33 0.00 0.00 177.39 175.91 2jtc h PRO 102 N 0.35 0.00 -3.03 3.23 0.13 -1.85 -3.43 132.00 127.40 2jtc h PRO 102 Ca -0.43 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.45 2jtc h PRO 102 Cb 1.41 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 32.21 2jtc h PRO 102 CO 0.47 0.00 -0.58 -0.08 -0.23 0.00 0.00 178.00 177.58 2jtc s THR 103 N -3.24 -0.26 -0.04 1.56 -1.32 -1.17 0.28 115.64 111.45 2jtc s THR 103 Ca 0.07 0.28 0.01 0.00 -1.21 0.00 0.00 61.69 60.85 2jtc s THR 103 Cb 0.08 -0.35 -0.03 0.00 -1.51 0.00 0.00 72.50 70.69 2jtc s THR 103 CO 0.61 0.12 -0.04 -0.31 -2.21 0.00 0.00 174.62 172.78 2jtc s TYR 104 N 2.07 2.99 -1.81 9.09 2.02 -1.23 -4.94 117.35 125.54 2jtc s TYR 104 Ca -0.01 0.05 0.22 0.00 -0.37 0.00 0.00 57.07 56.97 2jtc s TYR 104 Cb -0.12 -1.69 -0.05 0.00 -0.40 0.00 0.00 41.96 39.69 2jtc s TYR 104 CO -0.07 0.39 1.05 -1.13 -1.57 0.00 0.00 175.55 174.22 2jtc n SER 105 N 1.92 1.80 0.00 2.29 3.41 -1.26 -4.94 113.62 116.84 2jtc n SER 105 Ca -0.17 -1.40 0.00 0.00 -0.26 0.00 0.00 58.87 57.04 2jtc n SER 105 Cb 0.53 0.59 0.00 0.00 -0.26 0.00 0.00 64.21 65.07 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 1.44 1.05 0.17 5.00 0.00 -1.26 -4.83 105.19 106.76 2jtc n GLY 106 Ca 0.08 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.12 2jtc n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jtc n ARG 107 N -2.00 -0.19 -0.99 1.61 1.74 -1.26 -4.94 116.66 110.63 2jtc n ARG 107 Ca 0.00 -0.82 -0.31 0.00 -0.77 0.00 0.00 57.85 55.96 2jtc n ARG 107 Cb 0.00 -1.08 0.13 0.00 -1.02 0.00 0.00 32.46 30.49 2jtc n ARG 107 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2jtc s GLU 108 N -0.40 1.51 1.12 5.56 8.01 -1.26 -4.97 118.70 128.28 2jtc s GLU 108 Ca 0.05 1.29 -0.14 0.00 0.01 0.00 0.00 54.97 56.18 2jtc s GLU 108 Cb 0.04 -1.80 0.21 0.00 -4.31 0.00 0.00 34.13 28.26 2jtc s GLU 108 CO 0.05 -2.20 0.72 0.45 0.01 0.00 0.00 175.26 174.29 2jtc n SER 109 N -3.91 -1.70 0.14 -0.19 2.88 -1.26 -4.81 113.62 104.77 2jtc n SER 109 Ca 0.10 -0.05 -0.01 0.00 -1.33 0.00 0.00 58.87 57.58 2jtc n SER 109 Cb 0.53 -1.20 0.18 0.00 -0.75 0.00 0.00 64.21 62.96 2jtc n SER 109 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 2jtc h ASN 110 N -2.36 0.00 0.13 -3.46 2.35 -1.98 -2.87 115.58 107.39 2jtc h ASN 110 Ca -0.56 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.19 2jtc h ASN 110 Cb 1.33 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.67 2jtc h ASN 110 CO 0.44 0.60 -0.34 0.58 -1.65 0.00 0.00 177.43 177.06 2jtc h VAL 111 N 0.00 0.00 -0.21 2.81 2.07 -1.99 1.69 116.25 120.62 2jtc h VAL 111 Ca -0.01 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 2jtc h VAL 111 Cb 1.10 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 2jtc h VAL 111 CO 0.08 0.00 0.00 1.56 0.02 0.00 0.00 177.57 179.23 2jtc h GLN 112 N -0.52 0.30 -0.37 1.57 7.50 -1.77 -1.69 115.11 120.12 2jtc h GLN 112 Ca -0.01 -0.04 -0.07 0.00 0.50 0.00 0.00 58.65 59.03 2jtc h GLN 112 Cb 0.51 -0.05 -0.01 0.00 0.05 0.00 0.00 27.48 27.97 2jtc h GLN 112 CO -0.16 0.32 -0.02 0.87 -1.50 0.00 0.00 178.83 178.34 2jtc h LYS 113 N 0.29 0.68 -0.58 1.46 1.57 -1.01 -2.17 116.57 116.81 2jtc h LYS 113 Ca 0.07 -0.23 0.02 0.00 -1.87 0.00 0.00 60.65 58.64 2jtc h LYS 113 Cb 0.20 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 2jtc h LYS 113 CO 0.00 0.79 0.38 1.98 -0.57 0.00 0.00 179.45 182.04 2jtc h MET 114 N 0.49 0.72 0.10 3.15 4.05 0.33 -0.15 114.93 123.62 2jtc h MET 114 Ca 0.10 -0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 59.48 2jtc h MET 114 Cb 0.50 -0.16 -0.00 0.00 -0.80 0.00 0.00 31.60 31.14 2jtc h MET 114 CO 0.02 0.48 -0.06 0.00 0.23 0.00 0.00 176.91 177.57 2jtc h ALA 115 N 1.65 -0.94 -0.77 0.39 0.00 -0.70 -1.64 119.26 117.26 2jtc h ALA 115 Ca 0.22 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.11 2jtc h ALA 115 Cb -0.03 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2jtc h ALA 115 CO -0.05 -0.93 0.51 0.97 0.00 0.00 0.00 179.25 179.75 2jtc h ILE 116 N -0.16 1.19 -0.71 0.00 6.09 -1.41 -2.50 117.51 120.01 2jtc h ILE 116 Ca -0.01 -0.35 0.05 0.00 -1.37 0.00 0.00 64.86 63.17 2jtc h ILE 116 Cb 0.13 0.06 -0.05 0.00 0.47 0.00 0.00 36.82 37.43 2jtc h ILE 116 CO 0.01 0.19 0.42 0.77 -3.07 0.00 0.00 178.15 176.47 2jtc h SER 117 N 1.03 0.65 -0.17 2.19 4.64 -0.94 -0.63 113.55 120.32 2jtc h SER 117 Ca 0.29 0.02 -0.14 0.00 -0.47 0.00 0.00 61.79 61.49 2jtc h SER 117 Cb -0.10 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 61.86 2jtc h SER 117 CO -0.07 0.43 -0.36 -0.08 -0.87 0.00 0.00 176.83 175.88 2jtc h GLU 118 N 0.79 0.70 0.92 4.77 4.57 -0.88 -1.85 114.58 123.60 2jtc h GLU 118 Ca 0.31 -0.34 -0.04 0.00 -1.18 0.00 0.00 59.36 58.10 2jtc h GLU 118 Cb 0.13 -0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.73 2jtc h GLU 118 CO -0.16 0.95 -0.47 1.25 -1.18 0.00 0.00 179.01 179.40 2jtc h LEU 119 N 0.58 -1.13 -0.98 1.64 5.85 -0.92 1.44 115.31 121.79 2jtc h LEU 119 Ca 0.06 0.05 0.21 0.00 0.84 0.00 0.00 57.88 59.03 2jtc h LEU 119 Cb 0.89 0.30 -0.11 0.00 0.37 0.00 0.00 40.66 42.11 2jtc h LEU 119 CO 0.08 -0.78 0.56 0.24 -0.34 0.00 0.00 178.44 178.20 2jtc h MET 120 N -1.27 0.62 -0.31 1.25 2.86 -1.13 1.45 114.93 118.39 2jtc h MET 120 Ca -0.13 -0.04 -0.15 0.00 -2.06 0.00 0.00 59.70 57.32 2jtc h MET 120 Cb 0.99 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.50 2jtc h MET 120 CO 0.19 0.41 -0.40 0.00 1.06 0.00 0.00 176.91 178.16 2jtc h ALA 121 N 1.68 0.47 -0.21 6.32 0.00 -0.66 2.51 119.26 129.37 2jtc h ALA 121 Ca 0.59 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2jtc h ALA 121 Cb 1.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2jtc h ALA 121 CO -0.43 0.58 0.05 -0.44 0.00 0.00 0.00 179.25 179.01 2jtc h ASP 122 N 0.61 0.31 -0.01 0.00 3.32 0.58 0.84 116.42 122.07 2jtc h ASP 122 Ca 0.04 -0.23 -0.00 0.00 0.02 0.00 0.00 57.03 56.85 2jtc h ASP 122 Cb 1.00 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.47 2jtc h ASP 122 CO 0.10 0.46 -0.01 0.58 -1.72 0.00 0.00 179.24 178.65 2jtc h VAL 123 N 0.15 1.40 -0.30 -1.35 2.07 0.19 0.21 116.25 118.61 2jtc h VAL 123 Ca 0.06 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.39 2jtc h VAL 123 Cb 0.27 2.19 -0.02 0.00 -1.52 0.00 0.00 31.29 32.21 2jtc h VAL 123 CO 0.00 0.31 0.19 1.23 0.02 0.00 0.00 177.57 179.33 2jtc h GLY 124 N -0.47 0.43 0.24 2.17 0.00 0.44 0.38 103.07 106.27 2jtc h GLY 124 Ca 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 2jtc h GLY 124 CO 0.00 0.16 -0.08 -2.22 0.00 0.00 0.00 176.54 174.40 2jtc h ILE 125 N 0.41 0.48 -0.84 2.60 2.04 0.80 0.91 117.51 123.91 2jtc h ILE 125 Ca 0.11 -1.07 0.24 0.00 1.00 0.00 0.00 64.86 65.15 2jtc h ILE 125 Cb -0.03 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 2jtc h ILE 125 CO -0.02 0.14 0.80 0.77 0.00 0.00 0.00 178.15 179.83 2jtc h SER 126 N -0.99 0.00 -0.92 1.72 4.64 -0.11 1.74 113.55 119.63 2jtc h SER 126 Ca -0.02 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 60.86 2jtc h SER 126 Cb 0.40 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 62.24 2jtc h SER 126 CO 0.04 0.00 0.54 1.33 -0.87 0.00 0.00 176.83 177.87 2jtc n VAL 127 N -3.72 3.13 -4.31 0.95 0.24 0.13 -4.69 118.33 110.06 2jtc n VAL 127 Ca 0.18 -1.87 -0.32 0.00 -2.04 0.00 0.00 64.34 60.28 2jtc n VAL 127 Cb 1.08 -0.44 -0.09 0.00 -1.47 0.00 0.00 33.84 32.92 2jtc n VAL 127 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2jtc n ASP 128 N -0.89 0.44 -4.73 -1.34 9.92 0.59 -4.00 116.55 116.55 2jtc n ASP 128 Ca 0.54 -1.24 -0.42 0.00 -0.53 0.00 0.00 54.79 53.14 2jtc n ASP 128 Cb 1.59 -1.55 -0.03 0.00 -0.64 0.00 0.00 41.12 40.49 2jtc n ASP 128 CO 0.00 0.00 0.00 0.80 0.13 0.00 0.00 177.20 178.13 2jtc n MET 129 N -4.40 2.74 -2.51 -1.24 0.00 0.31 -4.52 117.12 107.50 2jtc n MET 129 Ca -0.24 0.98 -0.43 0.00 -0.00 0.00 0.00 57.70 58.01 2jtc n MET 129 Cb 0.64 -2.81 -0.02 0.00 0.00 0.00 0.00 33.22 31.03 2jtc n MET 129 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 2jtc s ASP 130 N 0.93 7.01 -0.32 6.12 -1.08 0.68 -4.91 116.67 125.10 2jtc s ASP 130 Ca 0.71 1.60 -0.11 0.00 -0.52 0.00 0.00 52.55 54.24 2jtc s ASP 130 Cb -0.51 -2.54 -0.01 0.00 -1.46 0.00 0.00 42.92 38.40 2jtc s ASP 130 CO 0.38 -0.71 0.18 -0.31 0.52 0.00 0.00 175.17 175.23 2jtc s TYR 131 N 3.24 3.19 0.00 -5.34 2.02 -1.26 -2.10 117.35 117.10 2jtc s TYR 131 Ca 0.51 -0.45 0.00 0.00 -0.37 0.00 0.00 57.07 56.76 2jtc s TYR 131 Cb -0.20 -2.39 0.00 0.00 -0.40 0.00 0.00 41.96 38.98 2jtc s TYR 131 CO 0.13 -0.42 0.00 0.41 -1.57 0.00 0.00 175.55 174.10 2jtc n GLY 132 N 5.02 3.58 0.25 0.71 0.00 -1.26 -4.83 105.19 108.66 2jtc n GLY 132 Ca -0.14 -1.14 0.05 0.00 0.00 0.00 0.00 46.02 44.79 2jtc n GLY 132 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jtc h PRO 133 N 0.00 0.18 -6.21 1.61 0.13 -1.88 -2.31 132.00 123.51 2jtc h PRO 133 Ca 0.00 -0.03 -0.67 0.00 -0.87 0.00 0.00 66.00 64.43 2jtc h PRO 133 Cb 0.00 -0.03 -0.15 0.00 0.13 0.00 0.00 31.00 30.94 2jtc h PRO 133 CO 0.00 0.24 -0.67 -1.12 -0.23 0.00 0.00 178.00 176.22 2jtc s SER 134 N -6.92 4.90 -0.24 1.44 0.01 -1.26 -3.89 113.70 107.74 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 -1.22 0.06 0.00 0.21 0.00 0.00 66.02 65.23 2jtc s SER 134 CO 0.71 0.28 -0.08 -0.44 0.41 0.00 0.00 173.24 174.12 2jtc s SER 135 N -1.47 3.97 -0.05 2.44 0.01 -1.26 -4.63 113.70 112.71 2jtc s SER 135 Ca 0.18 -1.20 -0.00 0.00 1.31 0.00 0.00 55.95 56.24 2jtc s SER 135 Cb -0.11 -1.30 -0.03 0.00 0.21 0.00 0.00 66.02 64.78 2jtc s SER 135 CO 0.09 -0.21 -0.01 -0.83 0.41 0.00 0.00 173.24 172.69 2jtc s GLY 136 N 1.30 1.83 0.00 3.44 0.00 -0.89 -3.74 107.32 109.25 2jtc s GLY 136 Ca -0.06 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 43.79 2jtc s GLY 136 CO -0.06 -0.67 0.00 -1.26 0.00 0.00 0.00 173.10 171.11 2jtc n SER 137 N 1.91 1.82 -0.06 1.64 2.88 -1.26 0.25 113.62 120.79 2jtc n SER 137 Ca -0.17 -0.25 -0.05 0.00 -1.33 0.00 0.00 58.87 57.08 2jtc n SER 137 Cb 0.53 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.98 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 0.44 0.00 -1.46 0.00 -1.26 -3.11 120.51 112.13 2jtc n ALA 138 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.01 2jtc n ALA 138 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.47 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 1.61 0.47 0.23 0.00 0.00 -1.26 -2.39 105.19 103.85 2jtc n GLY 139 Ca -0.07 -1.25 -0.02 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.55 -0.75 1.61 0.02 -1.94 0.24 113.55 112.18 2jtc h SER 140 Ca 0.00 0.18 0.16 0.00 -0.84 0.00 0.00 61.79 61.29 2jtc h SER 140 Cb 0.00 0.36 -0.13 0.00 0.14 0.00 0.00 62.40 62.77 2jtc h SER 140 CO 0.00 -0.19 -0.06 0.77 -1.14 0.00 0.00 176.83 176.21 2jtc h SER 141 N -0.00 -0.46 0.52 3.07 4.64 -1.96 0.71 113.55 120.07 2jtc h SER 141 Ca 0.28 0.20 -0.29 0.00 -0.47 0.00 0.00 61.79 61.51 2jtc h SER 141 Cb 0.43 0.38 0.01 0.00 -0.31 0.00 0.00 62.40 62.91 2jtc h SER 141 CO -0.60 -0.20 -1.34 0.03 -0.87 0.00 0.00 176.83 173.84 2jtc h ARG 142 N 0.06 0.33 0.55 4.77 2.47 -1.73 -2.95 114.38 117.89 2jtc h ARG 142 Ca 0.39 -0.56 -0.03 0.00 -1.26 0.00 0.00 59.98 58.53 2jtc h ARG 142 Cb 0.67 0.21 0.01 0.00 -1.65 0.00 0.00 29.97 29.20 2jtc h ARG 142 CO -0.70 1.25 -0.26 0.28 0.56 0.00 0.00 179.97 181.10 2jtc h VAL 143 N 0.09 0.20 -0.49 2.04 2.07 0.71 1.52 116.25 122.39 2jtc h VAL 143 Ca -0.18 -0.44 0.11 0.00 0.82 0.00 0.00 66.70 67.02 2jtc h VAL 143 Cb 2.02 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 32.06 2jtc h VAL 143 CO 0.21 0.03 0.34 0.06 0.02 0.00 0.00 177.57 178.24 2jtc h GLN 144 N -1.10 0.17 0.03 1.57 -0.00 0.20 0.92 115.11 116.90 2jtc h GLN 144 Ca -0.08 -0.01 -0.07 0.00 -0.00 0.00 0.00 58.65 58.49 2jtc h GLN 144 Cb 0.62 -0.04 0.01 0.00 -0.00 0.00 0.00 27.48 28.07 2jtc h GLN 144 CO 0.12 0.11 -0.29 -0.09 -0.00 0.00 0.00 178.83 178.69 2jtc h ARG 145 N 0.18 0.15 -0.31 0.06 2.43 -1.32 -3.14 114.38 112.43 2jtc h ARG 145 Ca 0.23 -0.20 -0.08 0.00 -0.81 0.00 0.00 59.98 59.12 2jtc h ARG 145 Cb 0.69 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.29 2jtc h ARG 145 CO -0.04 1.00 -0.17 0.00 -1.51 0.00 0.00 179.97 179.26 2jtc h ALA 146 N 0.15 1.14 -0.38 2.80 0.00 0.32 0.52 119.26 123.82 2jtc h ALA 146 Ca -0.04 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2jtc h ALA 146 Cb 1.13 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2jtc h ALA 146 CO 0.06 0.54 0.25 -0.07 0.00 0.00 0.00 179.25 180.02 2jtc h LEU 147 N 0.50 0.43 0.08 0.00 3.38 0.75 0.41 115.31 120.85 2jtc h LEU 147 Ca 0.08 -0.02 -0.26 0.00 0.09 0.00 0.00 57.88 57.77 2jtc h LEU 147 Cb 0.58 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2jtc h LEU 147 CO 0.04 0.32 -1.38 0.11 0.09 0.00 0.00 178.44 177.62 2jtc h LYS 148 N 0.51 0.16 -0.21 1.13 1.57 -1.47 0.26 116.57 118.52 2jtc h LYS 148 Ca 0.14 -0.28 -0.11 0.00 -1.87 0.00 0.00 60.65 58.52 2jtc h LYS 148 Cb -0.05 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 2jtc h LYS 148 CO -0.03 1.13 -0.32 0.93 -0.57 0.00 0.00 179.45 180.60 2jtc h GLU 149 N -0.48 0.59 0.04 3.15 5.08 0.00 -1.61 114.58 121.35 2jtc h GLU 149 Ca -0.32 -0.35 -0.36 0.00 -1.00 0.00 0.00 59.36 57.33 2jtc h GLU 149 Cb 1.63 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.87 2jtc h GLU 149 CO -0.02 0.96 -2.04 0.09 -1.00 0.00 0.00 179.01 177.00 2jtc n ASN 150 N -4.31 1.99 -1.50 1.42 5.03 0.12 -4.00 115.26 114.00 2jtc n ASN 150 Ca -0.05 0.21 0.09 0.00 0.87 0.00 0.00 54.58 55.70 2jtc n ASN 150 Cb 0.48 -0.78 0.34 0.00 -1.02 0.00 0.00 39.78 38.81 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 -3.84 1.46 -3.41 3.10 3.72 0.30 -1.69 117.46 117.11 2jtc n PHE 151 Ca -0.40 -0.65 -0.26 0.00 -0.05 0.00 0.00 57.45 56.08 2jtc n PHE 151 Cb 0.91 -0.28 -0.05 0.00 -0.94 0.00 0.00 39.48 39.12 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 0.83 -0.28 3.60 1.37 0.00 -0.39 -4.64 105.19 105.68 2jtc n GLY 152 Ca 0.25 0.04 -0.30 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.42 1.59 0.36 1.61 1.51 0.79 -4.82 117.35 115.97 2jtc s TYR 153 Ca 0.52 1.46 -0.25 0.00 -1.01 0.00 0.00 57.07 57.79 2jtc s TYR 153 Cb -0.30 -3.21 -0.13 0.00 -0.11 0.00 0.00 41.96 38.21 2jtc s TYR 153 CO 0.63 -3.22 0.75 -1.71 -1.11 0.00 0.00 175.55 170.89 2jtc n ASN 154 N -4.49 0.06 0.29 2.29 5.15 -0.19 -4.66 115.26 113.71 2jtc n ASN 154 Ca 0.07 1.03 0.13 0.00 -0.60 0.00 0.00 54.58 55.22 2jtc n ASN 154 Cb 0.53 -1.19 0.72 0.00 -0.53 0.00 0.00 39.78 39.32 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 1.28 0.00 0.00 1.20 1.08 -1.88 -0.22 115.11 116.57 2jtc h GLN 155 Ca -0.39 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.81 2jtc h GLN 155 Cb 1.38 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.81 2jtc h GLN 155 CO 0.56 0.00 0.27 0.66 -0.95 0.00 0.00 178.83 179.37 2jtc h SER 156 N 0.00 0.00 -2.58 1.46 4.64 -1.84 -3.40 113.55 111.84 2jtc h SER 156 Ca 0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 2jtc h SER 156 Cb 0.61 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.69 2jtc h SER 156 CO 0.00 0.00 1.14 -0.69 -0.87 0.00 0.00 176.83 176.41 2jtc s VAL 157 N -3.57 3.50 0.04 0.95 1.01 -0.10 -4.37 120.40 117.87 2jtc s VAL 157 Ca -0.02 0.59 -0.03 0.00 0.00 0.00 0.00 61.98 62.52 2jtc s VAL 157 Cb 0.06 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 32.99 2jtc s VAL 157 CO 0.17 -0.10 0.04 -1.38 0.00 0.00 0.00 175.10 173.83 2jtc s HIS 158 N 4.63 0.29 0.30 5.22 -3.43 -0.94 -4.96 115.29 116.40 2jtc s HIS 158 Ca 0.77 -0.66 0.06 0.00 -0.80 0.00 0.00 55.06 54.42 2jtc s HIS 158 Cb -0.33 -0.21 -0.02 0.00 -1.43 0.00 0.00 32.58 30.59 2jtc s HIS 158 CO 0.31 -0.35 0.40 -1.14 -2.00 0.00 0.00 174.74 171.96 2jtc s GLN 159 N -2.81 3.16 0.16 -0.38 0.74 -1.26 -0.88 119.66 118.40 2jtc s GLN 159 Ca -0.03 -0.97 -0.07 0.00 0.05 0.00 0.00 55.36 54.34 2jtc s GLN 159 Cb -0.00 -2.78 -0.02 0.00 1.10 0.00 0.00 33.01 31.31 2jtc s GLN 159 CO -0.06 0.20 0.23 0.96 -0.55 0.00 0.00 175.29 176.08 2jtc s ILE 160 N -2.13 0.07 -0.33 -2.34 -4.36 0.26 -4.89 121.20 107.49 2jtc s ILE 160 Ca 0.40 -1.55 0.02 0.00 -0.26 0.00 0.00 60.65 59.27 2jtc s ILE 160 Cb -0.09 -1.94 0.10 0.00 1.25 0.00 0.00 42.46 41.78 2jtc s ILE 160 CO 0.29 -0.31 0.07 0.20 0.24 0.00 0.00 174.94 175.44 2jtc s ASN 161 N -3.00 4.45 0.44 4.36 0.01 -1.26 -0.58 114.94 119.36 2jtc s ASN 161 Ca 0.20 -1.93 0.27 0.00 -0.71 0.00 0.00 52.86 50.69 2jtc s ASN 161 Cb 0.04 -1.30 1.33 0.00 0.41 0.00 0.00 41.25 41.73 2jtc s ASN 161 CO 0.02 -0.39 1.70 -0.09 -1.51 0.00 0.00 177.10 176.82 2jtc h ARG 162 N 7.82 0.19 0.00 -0.60 9.65 0.29 1.35 114.38 133.07 2jtc h ARG 162 Ca -0.08 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.77 2jtc h ARG 162 Cb 1.02 -0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 29.55 2jtc h ARG 162 CO 0.50 0.12 -0.09 0.78 2.80 0.00 0.00 179.97 184.08 2jtc h GLY 163 N 0.19 0.00 -1.97 2.80 0.00 -1.91 -2.50 103.07 99.68 2jtc h GLY 163 Ca 0.71 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.04 2jtc h GLY 163 CO -0.31 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.45 2jtc n ASP 164 N -4.14 3.24 -4.77 0.19 8.00 0.46 -4.99 116.55 114.53 2jtc n ASP 164 Ca -0.03 -1.93 -0.31 0.00 0.71 0.00 0.00 54.79 53.24 2jtc n ASP 164 Cb 0.18 -0.25 -0.07 0.00 -0.02 0.00 0.00 41.12 40.96 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 -1.23 1.92 -0.16 1.24 0.40 -0.94 -4.99 117.98 114.22 2jtc s PHE 165 Ca 0.34 -0.89 -0.06 0.00 -0.60 0.00 0.00 56.93 55.71 2jtc s PHE 165 Cb 0.19 -1.69 -0.04 0.00 0.51 0.00 0.00 43.02 41.99 2jtc s PHE 165 CO 0.26 0.14 0.06 -1.54 0.70 0.00 0.00 175.22 174.84 2jtc s SER 166 N -3.93 5.63 0.21 1.36 1.04 -1.26 -4.90 113.70 111.85 2jtc s SER 166 Ca 0.14 0.13 0.02 0.00 0.48 0.00 0.00 55.95 56.72 2jtc s SER 166 Cb 0.02 -1.90 0.52 0.00 0.10 0.00 0.00 66.02 64.77 2jtc s SER 166 CO 0.08 0.23 1.04 1.17 0.98 0.00 0.00 173.24 176.74 2jtc n LYS 167 N 3.14 -0.05 0.32 4.02 4.81 -1.26 0.14 118.16 129.27 2jtc n LYS 167 Ca -0.17 0.99 -0.13 0.00 -0.87 0.00 0.00 58.31 58.13 2jtc n LYS 167 Cb 0.53 -1.58 -0.06 0.00 0.02 0.00 0.00 35.03 33.94 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 -0.79 0.00 1.64 1.08 -2.00 -0.96 115.11 114.08 2jtc h GLN 168 Ca 0.41 0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.66 2jtc h GLN 168 Cb 0.86 0.18 0.00 0.00 -0.05 0.00 0.00 27.48 28.47 2jtc h GLN 168 CO -0.62 -0.53 0.00 -0.44 -0.95 0.00 0.00 178.83 176.30 2jtc h ASP 169 N -0.98 0.00 -0.00 1.46 5.19 -1.05 -1.09 116.42 119.95 2jtc h ASP 169 Ca -0.08 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.25 2jtc h ASP 169 Cb 0.63 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.15 2jtc h ASP 169 CO 0.14 0.00 -0.31 -0.25 -3.12 0.00 0.00 179.24 175.70 2jtc h TRP 170 N 0.00 0.32 -0.32 4.55 2.91 0.16 -3.04 115.95 120.53 2jtc h TRP 170 Ca 0.00 -0.17 -0.15 0.00 1.13 0.00 0.00 58.89 59.70 2jtc h TRP 170 Cb 0.13 -0.04 -0.01 0.00 -0.51 0.00 0.00 29.16 28.73 2jtc h TRP 170 CO 0.00 0.98 -0.41 0.93 -1.03 0.00 0.00 178.44 178.90 2jtc h GLU 171 N -0.43 0.78 -0.94 2.65 5.08 -0.60 -2.77 114.58 118.34 2jtc h GLU 171 Ca -0.04 -0.41 0.20 0.00 -1.00 0.00 0.00 59.36 58.11 2jtc h GLU 171 Cb 1.06 0.02 -0.11 0.00 0.50 0.00 0.00 28.75 30.21 2jtc h GLU 171 CO 0.06 1.04 0.52 0.00 -1.00 0.00 0.00 179.01 179.63 2jtc h ALA 172 N 0.90 1.55 -0.80 3.43 0.00 -1.27 0.84 119.26 123.90 2jtc h ALA 172 Ca 0.05 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2jtc h ALA 172 Cb 0.97 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 2jtc h ALA 172 CO 0.09 -0.16 0.47 1.96 0.00 0.00 0.00 179.25 181.61 2jtc h GLN 173 N 0.62 1.10 0.18 0.00 1.08 -1.37 0.04 115.11 116.77 2jtc h GLN 173 Ca 0.56 -0.11 -0.01 0.00 -1.45 0.00 0.00 58.65 57.64 2jtc h GLN 173 Cb 0.93 -0.23 0.00 0.00 -0.05 0.00 0.00 27.48 28.14 2jtc h GLN 173 CO -0.43 0.78 -0.09 0.82 -0.95 0.00 0.00 178.83 178.97 2jtc h ILE 174 N 1.11 0.29 -0.75 2.54 2.04 0.04 -3.00 117.51 119.78 2jtc h ILE 174 Ca 0.29 -0.97 0.16 0.00 1.00 0.00 0.00 64.86 65.34 2jtc h ILE 174 Cb -0.02 0.51 -0.11 0.00 -0.74 0.00 0.00 36.82 36.46 2jtc h ILE 174 CO -0.05 0.08 0.21 -0.78 0.00 0.00 0.00 178.15 177.61 2jtc h ASP 175 N -1.03 0.07 -0.83 1.72 3.58 0.38 0.81 116.42 121.13 2jtc h ASP 175 Ca -0.03 0.14 0.15 0.00 0.42 0.00 0.00 57.03 57.72 2jtc h ASP 175 Cb 0.33 0.18 -0.10 0.00 1.72 0.00 0.00 39.33 41.45 2jtc h ASP 175 CO 0.04 -0.02 0.40 0.50 -2.88 0.00 0.00 179.24 177.28 2jtc h LYS 176 N 0.30 0.54 0.10 0.28 3.64 -1.06 2.16 116.57 122.53 2jtc h LYS 176 Ca 0.43 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.77 2jtc h LYS 176 Cb 0.72 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 2jtc h LYS 176 CO -0.50 0.36 -0.05 0.93 -2.27 0.00 0.00 179.45 177.92 2jtc h GLU 177 N 0.55 -0.13 0.00 1.90 4.39 0.72 -2.00 114.58 120.02 2jtc h GLU 177 Ca 0.46 0.01 -0.06 0.00 0.34 0.00 0.00 59.36 60.11 2jtc h GLU 177 Cb 0.69 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.36 2jtc h GLU 177 CO -0.39 -0.08 -0.27 -0.07 -1.16 0.00 0.00 179.01 177.05 2jtc h LEU 178 N -0.14 0.00 -1.08 1.33 3.38 0.94 0.72 115.31 120.47 2jtc h LEU 178 Ca -0.01 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.13 2jtc h LEU 178 Cb 0.11 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.77 2jtc h LEU 178 CO 0.02 0.27 0.62 0.77 0.09 0.00 0.00 178.44 180.21 2jtc h SER 179 N 0.00 0.77 -0.97 -0.43 4.64 0.42 0.93 113.55 118.91 2jtc h SER 179 Ca -0.00 0.08 -0.59 0.00 -0.47 0.00 0.00 61.79 60.80 2jtc h SER 179 Cb 0.62 -0.07 -0.30 0.00 -0.31 0.00 0.00 62.40 62.35 2jtc h SER 179 CO 0.03 0.31 0.71 0.00 -0.87 0.00 0.00 176.83 177.02 2jtc n GLN 180 N -4.69 2.50 -3.98 4.77 6.02 -1.02 -4.87 117.38 116.11 2jtc n GLN 180 Ca 0.22 -3.19 -0.27 0.00 -0.01 0.00 0.00 57.00 53.75 2jtc n GLN 180 Cb 0.54 -2.23 -0.02 0.00 1.02 0.00 0.00 30.24 29.54 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 -1.02 -0.63 -4.01 1.08 3.02 0.32 -4.93 115.26 109.09 2jtc n ASN 181 Ca 0.60 -1.05 -0.31 0.00 -0.03 0.00 0.00 54.58 53.79 2jtc n ASN 181 Cb 1.11 -2.86 -0.16 0.00 -0.61 0.00 0.00 39.78 37.27 2jtc n ASN 181 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2jtc s GLN 182 N -6.63 2.06 1.11 3.52 -0.21 0.25 -4.92 119.66 114.83 2jtc s GLN 182 Ca 0.05 -0.99 -0.13 0.00 0.02 0.00 0.00 55.36 54.32 2jtc s GLN 182 Cb -0.02 -2.57 0.25 0.00 1.00 0.00 0.00 33.01 31.67 2jtc s GLN 182 CO 0.90 -0.48 1.05 -1.25 -2.12 0.00 0.00 175.29 173.40 2jtc s PRO 183 N 1.32 -0.45 -0.07 2.91 0.04 -1.26 -1.49 135.00 136.00 2jtc s PRO 183 Ca -0.04 0.66 0.03 0.00 0.04 0.00 0.00 61.00 61.70 2jtc s PRO 183 Cb -0.17 -1.62 0.01 0.00 0.04 0.00 0.00 34.50 32.75 2jtc s PRO 183 CO -0.07 -3.37 -0.15 0.08 0.04 0.00 0.00 177.00 173.53 2jtc s VAL 184 N -2.68 1.36 -0.31 -0.36 1.01 0.16 -4.51 120.40 115.07 2jtc s VAL 184 Ca 0.67 -0.62 -0.27 0.00 0.00 0.00 0.00 61.98 61.77 2jtc s VAL 184 Cb -0.22 -1.21 0.01 0.00 0.00 0.00 0.00 36.38 34.96 2jtc s VAL 184 CO 0.62 0.40 0.95 -0.47 0.00 0.00 0.00 175.10 176.60 2jtc s TYR 185 N 0.51 3.18 0.24 5.22 6.14 -0.78 -0.45 117.35 131.40 2jtc s TYR 185 Ca -0.14 1.04 0.10 0.00 0.64 0.00 0.00 57.07 58.72 2jtc s TYR 185 Cb -0.16 -3.46 -0.05 0.00 0.42 0.00 0.00 41.96 38.71 2jtc s TYR 185 CO 0.05 -0.67 -0.18 -0.47 0.64 0.00 0.00 175.55 174.92 2jtc s TYR 186 N 3.33 2.07 -0.29 4.97 6.14 0.14 0.17 117.35 133.88 2jtc s TYR 186 Ca 0.40 -0.42 -0.17 0.00 0.64 0.00 0.00 57.07 57.52 2jtc s TYR 186 Cb -0.13 -0.93 0.13 0.00 0.42 0.00 0.00 41.96 41.44 2jtc s TYR 186 CO 0.14 0.56 0.91 1.14 0.64 0.00 0.00 175.55 178.94 2jtc s GLN 187 N -3.43 0.47 -0.18 4.97 -2.07 -1.05 0.10 119.66 118.46 2jtc s GLN 187 Ca 0.26 0.78 -0.18 0.00 -1.82 0.00 0.00 55.36 54.40 2jtc s GLN 187 Cb -0.04 0.11 -0.04 0.00 -1.09 0.00 0.00 33.01 31.95 2jtc s GLN 187 CO 0.11 -0.09 0.48 0.20 -1.32 0.00 0.00 175.29 174.67 2jtc s GLY 188 N 1.31 2.16 0.45 2.60 0.00 0.23 -2.90 107.32 111.17 2jtc s GLY 188 Ca -0.08 -0.38 -0.02 0.00 0.00 0.00 0.00 44.72 44.24 2jtc s GLY 188 CO -0.15 0.93 0.70 0.14 0.00 0.00 0.00 173.10 174.72 2jtc s VAL 189 N 1.30 4.35 0.00 1.40 1.01 -1.17 0.33 120.40 127.62 2jtc s VAL 189 Ca 0.23 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.93 2jtc s VAL 189 Cb -0.15 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.60 2jtc s VAL 189 CO 0.09 -0.50 0.00 0.61 0.00 0.00 0.00 175.10 175.30 2jtc n GLY 190 N -2.13 1.81 0.11 4.51 0.00 -0.79 -2.85 105.19 105.85 2jtc n GLY 190 Ca 0.00 0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.95 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 0.07 0.00 1.61 1.57 -1.85 -3.35 116.57 114.63 2jtc h LYS 191 Ca 0.00 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 2jtc h LYS 191 Cb 0.00 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.36 2jtc h LYS 191 CO 0.00 1.06 0.00 1.33 -0.57 0.00 0.00 179.45 181.27 2jtc n VAL 192 N -4.27 1.10 0.00 0.50 0.24 -1.26 -4.98 118.33 109.67 2jtc n VAL 192 Ca -0.28 0.31 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 2jtc n VAL 192 Cb 0.73 -1.15 0.00 0.00 -1.47 0.00 0.00 33.84 31.95 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 -0.29 0.68 3.50 7.63 0.00 -1.26 -4.66 105.19 110.79 2jtc n GLY 193 Ca 0.02 -2.16 -0.43 0.00 0.00 0.00 0.00 46.02 43.46 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 1.84 0.13 -0.02 0.00 -1.01 -1.88 107.32 106.38 2jtc s GLY 194 Ca 0.00 -1.38 -0.30 0.00 0.00 0.00 0.00 44.72 43.04 2jtc s GLY 194 CO 0.00 1.27 1.24 -1.58 0.00 0.00 0.00 173.10 174.03 2jtc s HIS 195 N 2.35 3.39 0.33 1.90 2.46 0.15 -4.41 115.29 121.46 2jtc s HIS 195 Ca 0.16 1.28 0.10 0.00 0.47 0.00 0.00 55.06 57.06 2jtc s HIS 195 Cb -0.16 -3.48 -0.06 0.00 -0.13 0.00 0.00 32.58 28.74 2jtc s HIS 195 CO 0.15 -1.49 -0.11 0.00 -2.47 0.00 0.00 174.74 170.82 2jtc s ALA 196 N 0.58 2.93 0.22 1.58 0.00 -1.26 0.75 121.76 126.56 2jtc s ALA 196 Ca 0.57 -2.04 -0.23 0.00 0.00 0.00 0.00 51.96 50.27 2jtc s ALA 196 Cb -0.32 -0.11 0.04 0.00 0.00 0.00 0.00 23.12 22.72 2jtc s ALA 196 CO 0.33 0.12 0.76 -0.59 0.00 0.00 0.00 175.76 176.38 2jtc s PHE 197 N -2.58 -0.24 -0.08 0.00 -0.12 0.11 -3.63 117.98 111.45 2jtc s PHE 197 Ca 0.32 -0.14 0.03 0.00 -0.05 0.00 0.00 56.93 57.09 2jtc s PHE 197 Cb 0.01 0.66 -0.02 0.00 -0.63 0.00 0.00 43.02 43.04 2jtc s PHE 197 CO 0.16 -1.06 -0.15 0.08 -0.05 0.00 0.00 175.22 174.21 2jtc s VAL 198 N -3.72 2.96 -0.23 -2.49 1.01 -1.09 -0.68 120.40 116.16 2jtc s VAL 198 Ca 0.10 -0.74 -0.13 0.00 0.00 0.00 0.00 61.98 61.21 2jtc s VAL 198 Cb -0.04 -2.18 -0.05 0.00 0.00 0.00 0.00 36.38 34.11 2jtc s VAL 198 CO 0.02 0.57 0.26 -0.63 0.00 0.00 0.00 175.10 175.32 2jtc s ILE 199 N -0.28 5.29 -0.10 2.22 1.01 0.40 0.70 121.20 130.43 2jtc s ILE 199 Ca 0.02 0.40 0.23 0.00 0.00 0.00 0.00 60.65 61.30 2jtc s ILE 199 Cb -0.13 -3.60 0.45 0.00 0.01 0.00 0.00 42.46 39.20 2jtc s ILE 199 CO 0.03 0.30 1.16 -0.90 0.00 0.00 0.00 174.94 175.53 2jtc n ASP 200 N 4.42 1.39 -3.63 3.58 5.75 0.11 0.37 116.55 128.54 2jtc n ASP 200 Ca -0.12 -2.28 -0.01 0.00 -0.01 0.00 0.00 54.79 52.38 2jtc n ASP 200 Cb 0.52 -0.37 -0.01 0.00 -1.03 0.00 0.00 41.12 40.22 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 -2.67 -0.37 -0.03 6.12 0.00 -1.20 0.25 107.32 109.42 2jtc s GLY 201 Ca 0.33 0.77 -0.19 0.00 0.00 0.00 0.00 44.72 45.63 2jtc s GLY 201 CO -0.12 0.18 0.41 0.00 0.00 0.00 0.00 173.10 173.57 2jtc s ALA 202 N -2.59 -1.05 -0.23 3.20 0.00 0.43 -1.77 121.76 119.75 2jtc s ALA 202 Ca 0.13 0.63 0.11 0.00 0.00 0.00 0.00 51.96 52.83 2jtc s ALA 202 Cb 0.03 0.01 0.44 0.00 0.00 0.00 0.00 23.12 23.59 2jtc s ALA 202 CO -0.03 -0.28 1.28 -0.25 0.00 0.00 0.00 175.76 176.48 2jtc n ASP 203 N 1.28 1.99 -1.60 0.00 8.00 0.93 0.18 116.55 127.33 2jtc n ASP 203 Ca -0.20 -3.81 -0.10 0.00 0.71 0.00 0.00 54.79 51.39 2jtc n ASP 203 Cb 0.56 -0.55 -0.03 0.00 -0.02 0.00 0.00 41.12 41.08 2jtc n ASP 203 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jtc n GLY 204 N -1.13 0.57 1.08 0.44 0.00 -1.26 -4.65 105.19 100.24 2jtc n GLY 204 Ca 0.23 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.27 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 -1.95 0.00 -0.97 1.61 1.74 -1.26 -4.72 116.66 111.11 2jtc n ARG 205 Ca -0.10 -1.56 0.00 0.00 -0.77 0.00 0.00 57.85 55.42 2jtc n ARG 205 Cb 0.40 -0.18 0.00 0.00 -1.02 0.00 0.00 32.46 31.65 2jtc n ARG 205 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2jtc n ASN 206 N 0.29 -2.89 -4.74 0.55 2.85 -1.26 -5.00 115.26 105.06 2jtc n ASN 206 Ca 0.03 0.00 -0.35 0.00 -0.11 0.00 0.00 54.58 54.14 2jtc n ASN 206 Cb 0.96 -1.08 -0.08 0.00 1.24 0.00 0.00 39.78 40.81 2jtc n ASN 206 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2jtc s PHE 207 N -2.10 3.35 0.28 1.20 0.08 -1.26 -4.96 117.98 114.56 2jtc s PHE 207 Ca 0.00 0.28 0.08 0.00 0.12 0.00 0.00 56.93 57.41 2jtc s PHE 207 Cb 0.00 -1.94 -0.06 0.00 -0.57 0.00 0.00 43.02 40.45 2jtc s PHE 207 CO 0.00 0.46 -0.11 0.71 -0.10 0.00 0.00 175.22 176.18 2jtc s TYR 208 N -0.50 2.06 -0.23 0.36 1.51 -1.26 -0.05 117.35 119.24 2jtc s TYR 208 Ca 0.10 -0.57 -0.17 0.00 -1.01 0.00 0.00 57.07 55.43 2jtc s TYR 208 Cb -0.12 -1.09 -0.03 0.00 -0.11 0.00 0.00 41.96 40.61 2jtc s TYR 208 CO 0.02 0.44 0.44 -1.58 -1.11 0.00 0.00 175.55 173.76 2jtc s HIS 209 N -2.83 3.33 -0.01 2.71 2.46 -0.73 -1.53 115.29 118.69 2jtc s HIS 209 Ca 0.29 0.61 0.07 0.00 0.47 0.00 0.00 55.06 56.50 2jtc s HIS 209 Cb 0.01 -2.60 -0.03 0.00 -0.13 0.00 0.00 32.58 29.83 2jtc s HIS 209 CO 0.12 -0.12 -0.21 0.08 -2.47 0.00 0.00 174.74 172.14 2jtc s VAL 210 N 1.72 2.52 -0.89 0.89 1.01 0.44 0.06 120.40 126.14 2jtc s VAL 210 Ca 0.20 -1.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.12 2jtc s VAL 210 Cb -0.15 -1.97 0.24 0.00 0.00 0.00 0.00 36.38 34.50 2jtc s VAL 210 CO 0.09 0.50 0.92 -3.20 0.00 0.00 0.00 175.10 173.41 2jtc n ASN 211 N 2.12 4.57 -3.95 3.32 2.85 0.22 -2.83 115.26 121.56 2jtc n ASN 211 Ca -0.16 -3.24 -0.27 0.00 -0.11 0.00 0.00 54.58 50.80 2jtc n ASN 211 Cb 0.52 -1.03 0.11 0.00 1.24 0.00 0.00 39.78 40.62 2jtc n ASN 211 CO 0.00 0.00 0.00 0.79 -2.11 0.00 0.00 177.26 175.94 2jtc n TRP 212 N 1.86 -1.64 -0.12 1.20 7.02 -1.26 -2.67 117.44 121.82 2jtc n TRP 212 Ca 0.24 0.29 -0.12 0.00 -1.02 0.00 0.00 57.50 56.89 2jtc n TRP 212 Cb 0.37 -1.44 0.08 0.00 -2.42 0.00 0.00 31.31 27.90 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 2.63 3.26 0.00 6.99 0.00 -1.24 -4.80 105.19 112.03 2jtc n GLY 213 Ca 0.01 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.24 -0.13 0.00 1.61 5.03 -1.26 -4.82 117.44 117.64 2jtc n TRP 214 Ca 0.29 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.82 2jtc n TRP 214 Cb 1.02 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 31.30 2jtc n TRP 214 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 2jtc n GLY 215 N 5.00 0.72 2.57 6.99 0.00 -1.26 -4.87 105.19 114.34 2jtc n GLY 215 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 3.15 3.68 0.00 -0.02 0.00 -1.26 -4.85 105.19 105.89 2jtc n GLY 216 Ca 0.00 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.17 0.00 0.75 1.61 3.14 -1.26 -4.61 118.33 117.79 2jtc n VAL 217 Ca 0.23 0.00 0.07 0.00 -2.96 0.00 0.00 64.34 61.68 2jtc n VAL 217 Cb 0.70 -0.26 0.38 0.00 -1.06 0.00 0.00 33.84 33.61 2jtc n VAL 217 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2jtc n SER 218 N 0.00 0.00 -4.65 6.55 7.64 -1.26 -4.79 113.62 117.11 2jtc n SER 218 Ca 0.00 -0.09 -0.49 0.00 1.01 0.00 0.00 58.87 59.30 2jtc n SER 218 Cb 0.00 -0.19 -0.05 0.00 -1.01 0.00 0.00 64.21 62.96 2jtc n SER 218 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2jtc n ASP 219 N -1.19 2.65 0.00 6.43 2.03 -1.26 -4.49 116.55 120.72 2jtc n ASP 219 Ca 0.08 1.08 0.00 0.00 0.52 0.00 0.00 54.79 56.47 2jtc n ASP 219 Cb 0.09 -1.33 0.00 0.00 -0.72 0.00 0.00 41.12 39.16 2jtc n ASP 219 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jtc n GLY 220 N 3.29 -0.46 3.90 0.27 0.00 -1.13 -4.99 105.19 106.06 2jtc n GLY 220 Ca 0.18 0.10 -0.28 0.00 0.00 0.00 0.00 46.02 46.03 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 3.55 0.65 1.61 0.08 -1.25 -0.42 117.98 122.19 2jtc s PHE 221 Ca 0.00 0.86 -0.01 0.00 0.12 0.00 0.00 56.93 57.90 2jtc s PHE 221 Cb 0.00 -2.33 0.08 0.00 -0.57 0.00 0.00 43.02 40.19 2jtc s PHE 221 CO 0.00 -0.25 0.91 -0.59 -0.10 0.00 0.00 175.22 175.19 2jtc s PHE 222 N -2.68 2.39 0.00 0.36 -0.71 -0.58 -4.64 117.98 112.12 2jtc s PHE 222 Ca 0.48 -0.01 0.00 0.00 -1.04 0.00 0.00 56.93 56.36 2jtc s PHE 222 Cb -0.10 -2.96 0.00 0.00 -1.21 0.00 0.00 43.02 38.75 2jtc s PHE 222 CO 0.43 -1.32 0.00 0.54 -1.34 0.00 0.00 175.22 173.53 2jtc n ARG 223 N -2.66 1.05 -0.01 1.99 3.00 -1.26 -4.78 116.66 113.99 2jtc n ARG 223 Ca 0.11 0.00 -0.03 0.00 -0.01 0.00 0.00 57.85 57.92 2jtc n ARG 223 Cb 0.60 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 33.05 2jtc n ARG 223 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2jtc n LEU 224 N 0.00 0.35 0.00 0.55 4.77 -1.26 -4.88 117.00 116.53 2jtc n LEU 224 Ca 0.00 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 2jtc n LEU 224 Cb 0.00 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 2jtc n LEU 224 CO 0.00 -0.06 0.02 0.47 -1.33 0.00 0.00 177.39 176.49 2jtc n ASP 225 N -3.19 0.08 -3.89 -1.43 9.92 -1.26 -4.91 116.55 111.86 2jtc n ASP 225 Ca -0.05 -0.43 -0.30 0.00 -0.53 0.00 0.00 54.79 53.48 2jtc n ASP 225 Cb 0.46 0.65 -0.14 0.00 -0.64 0.00 0.00 41.12 41.45 2jtc n ASP 225 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jtc s ALA 226 N -0.65 2.81 -1.22 2.24 0.00 -1.26 -5.01 121.76 118.66 2jtc s ALA 226 Ca 0.00 -2.84 -0.12 0.00 0.00 0.00 0.00 51.96 49.00 2jtc s ALA 226 Cb 0.00 -2.02 0.18 0.00 0.00 0.00 0.00 23.12 21.29 2jtc s ALA 226 CO 0.00 -1.94 1.56 1.28 0.00 0.00 0.00 175.76 176.66 2jtc n LEU 227 N 3.57 5.75 -4.64 0.00 7.99 -1.26 -4.64 117.00 123.78 2jtc n LEU 227 Ca 0.05 -4.60 -0.25 0.00 -0.01 0.00 0.00 56.01 51.20 2jtc n LEU 227 Cb 0.35 -1.55 -0.09 0.00 -0.11 0.00 0.00 43.42 42.03 2jtc n LEU 227 CO 0.28 1.02 -0.29 0.20 -1.51 0.00 0.00 177.39 177.09 2jtc s ASN 228 N 1.88 4.14 0.99 -1.43 -0.87 -1.26 -4.59 114.94 113.80 2jtc s ASN 228 Ca 0.40 -1.06 -0.17 0.00 -1.57 0.00 0.00 52.86 50.47 2jtc s ASN 228 Cb 0.01 -0.50 0.23 0.00 -0.02 0.00 0.00 41.25 40.97 2jtc s ASN 228 CO 0.00 -0.30 1.35 -2.16 -2.57 0.00 0.00 177.10 173.43 2jtc s PRO 229 N -3.73 0.34 -0.01 -0.60 0.04 -1.26 -5.01 135.00 124.77 2jtc s PRO 229 Ca 0.35 -0.55 -0.04 0.00 0.04 0.00 0.00 61.00 60.81 2jtc s PRO 229 Cb 0.02 -1.83 -0.28 0.00 0.04 0.00 0.00 34.50 32.45 2jtc s PRO 229 CO 0.19 -2.60 0.82 0.66 0.04 0.00 0.00 177.00 176.12 2jtc h SER 230 N -1.77 0.42 -3.48 6.66 4.64 -2.00 -3.43 113.55 114.59 2jtc h SER 230 Ca -0.44 -0.60 -0.67 0.00 -0.47 0.00 0.00 61.79 59.61 2jtc h SER 230 Cb 1.21 -0.14 -0.31 0.00 -0.31 0.00 0.00 62.40 62.85 2jtc h SER 230 CO 0.31 1.50 -0.74 0.00 -0.87 0.00 0.00 176.83 177.03 2jtc s ALA 231 N -2.61 2.72 -1.29 5.18 0.00 -1.26 -5.01 121.76 119.49 2jtc s ALA 231 Ca -0.10 -1.42 -0.05 0.00 0.00 0.00 0.00 51.96 50.38 2jtc s ALA 231 Cb 0.07 -1.69 0.12 0.00 0.00 0.00 0.00 23.12 21.61 2jtc s ALA 231 CO 0.85 -0.76 2.40 1.28 0.00 0.00 0.00 175.76 179.53 2jtc n LEU 232 N 4.69 8.00 0.00 0.00 4.32 -1.26 -4.83 117.00 127.92 2jtc n LEU 232 Ca -0.17 -4.87 0.00 0.00 -0.02 0.00 0.00 56.01 50.96 2jtc n LEU 232 Cb 0.48 -1.36 0.00 0.00 -1.62 0.00 0.00 43.42 40.92 2jtc n LEU 232 CO 0.27 2.05 0.00 0.61 -1.22 0.00 0.00 177.39 179.11 2jtc n GLY 233 N 1.68 1.62 0.10 -0.72 0.00 -1.26 -4.66 105.19 101.96 2jtc n GLY 233 Ca 0.62 -1.33 -0.19 0.00 0.00 0.00 0.00 46.02 45.12 2jtc n GLY 233 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2jtc n THR 234 N 2.98 1.50 -0.72 2.61 -1.04 -1.26 -4.95 114.28 113.40 2jtc n THR 234 Ca 0.00 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 2jtc n THR 234 Cb 0.00 -2.11 0.00 0.00 -1.82 0.00 0.00 70.33 66.40 2jtc n THR 234 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2jtc n GLY 235 N 1.43 0.15 3.55 3.41 0.00 -1.26 -4.92 105.19 107.55 2jtc n GLY 235 Ca -0.31 -1.77 -0.38 0.00 0.00 0.00 0.00 46.02 43.56 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 -1.06 0.61 0.32 -0.02 0.00 -1.26 -4.92 107.32 100.99 2jtc s GLY 236 Ca 0.00 -1.30 0.04 0.00 0.00 0.00 0.00 44.72 43.46 2jtc s GLY 236 CO 0.00 3.04 0.32 -0.32 0.00 0.00 0.00 173.10 176.14 2jtc s GLY 237 N 6.06 2.03 0.55 0.20 0.00 -1.26 -5.14 107.32 109.75 2jtc s GLY 237 Ca 0.53 -1.89 -0.04 0.00 0.00 0.00 0.00 44.72 43.32 2jtc s GLY 237 CO 0.10 -1.34 0.83 0.00 0.00 0.00 0.00 173.10 172.69 2jtc s ALA 238 N -3.42 3.46 0.00 3.20 0.00 -1.26 -5.01 121.76 118.73 2jtc s ALA 238 Ca 0.38 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.50 2jtc s ALA 238 Cb 0.02 -2.44 0.00 0.00 0.00 0.00 0.00 23.12 20.70 2jtc s ALA 238 CO 0.24 -0.68 0.00 0.41 0.00 0.00 0.00 175.76 175.73 2jtc n GLY 239 N -2.43 0.47 0.00 0.00 0.00 -1.26 -4.72 105.19 97.25 2jtc n GLY 239 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 4.50 -2.01 1.45 -0.02 0.00 -1.26 -4.54 105.19 103.31 2jtc n GLY 240 Ca 0.00 0.96 -0.13 0.00 0.00 0.00 0.00 46.02 46.85 2jtc n GLY 240 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2jtc n PHE 241 N 0.00 -3.05 -3.60 1.61 1.16 -1.26 -4.75 117.46 107.57 2jtc n PHE 241 Ca 0.00 -0.39 -0.41 0.00 -1.87 0.00 0.00 57.45 54.78 2jtc n PHE 241 Cb 0.00 -0.53 -0.11 0.00 -1.61 0.00 0.00 39.48 37.23 2jtc n PHE 241 CO 0.00 0.00 0.00 1.21 -1.87 0.00 0.00 176.76 176.10 2jtc s ASN 242 N -2.62 5.74 -0.01 5.98 3.04 -1.25 -3.73 114.94 122.09 2jtc s ASN 242 Ca 0.30 -0.98 -0.00 0.00 0.04 0.00 0.00 52.86 52.22 2jtc s ASN 242 Cb -0.04 -2.03 -0.00 0.00 -1.54 0.00 0.00 41.25 37.64 2jtc s ASN 242 CO 0.24 -0.38 -0.01 0.61 -3.04 0.00 0.00 177.10 174.52 2jtc n GLY 243 N 5.00 -0.01 2.56 1.21 0.00 -1.13 -4.94 105.19 107.88 2jtc n GLY 243 Ca -0.12 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.01 1.38 -0.26 1.61 2.02 -1.26 -4.95 117.35 113.88 2jtc s TYR 244 Ca -0.01 -2.11 -0.19 0.00 -0.37 0.00 0.00 57.07 54.39 2jtc s TYR 244 Cb 0.00 -1.35 -0.02 0.00 -0.40 0.00 0.00 41.96 40.18 2jtc s TYR 244 CO 0.01 -0.80 0.56 -0.65 -1.57 0.00 0.00 175.55 173.10 2jtc s GLN 245 N 0.52 4.08 0.20 -0.62 -0.21 -1.26 -3.03 119.66 119.35 2jtc s GLN 245 Ca 0.21 0.40 0.02 0.00 0.02 0.00 0.00 55.36 56.02 2jtc s GLN 245 Cb -0.18 -3.65 -0.05 0.00 1.00 0.00 0.00 33.01 30.13 2jtc s GLN 245 CO -0.04 -0.37 0.01 -1.54 -2.12 0.00 0.00 175.29 171.23 2jtc s SER 246 N 1.51 1.44 0.03 5.90 1.04 -1.14 0.24 113.70 122.72 2jtc s SER 246 Ca 0.23 -1.21 -0.02 0.00 0.48 0.00 0.00 55.95 55.43 2jtc s SER 246 Cb -0.16 0.08 -0.02 0.00 0.10 0.00 0.00 66.02 66.03 2jtc s SER 246 CO 0.09 -0.56 0.01 0.00 0.98 0.00 0.00 173.24 173.76 2jtc s ALA 247 N -3.58 0.10 -0.38 5.32 0.00 0.25 -2.54 121.76 120.94 2jtc s ALA 247 Ca 0.27 -0.64 -0.03 0.00 0.00 0.00 0.00 51.96 51.55 2jtc s ALA 247 Cb 0.06 0.19 0.09 0.00 0.00 0.00 0.00 23.12 23.45 2jtc s ALA 247 CO 0.07 -0.23 0.15 0.08 0.00 0.00 0.00 175.76 175.82 2jtc s VAL 248 N -2.10 3.31 -0.07 0.00 1.01 0.13 0.92 120.40 123.59 2jtc s VAL 248 Ca -0.10 -1.78 0.00 0.00 0.00 0.00 0.00 61.98 60.11 2jtc s VAL 248 Cb -0.05 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 2jtc s VAL 248 CO -0.03 -0.50 -0.06 0.68 0.00 0.00 0.00 175.10 175.19 2jtc s VAL 249 N 1.21 3.78 0.00 2.92 -7.23 -0.05 -1.87 120.40 119.15 2jtc s VAL 249 Ca 0.04 -0.45 0.00 0.00 -1.81 0.00 0.00 61.98 59.76 2jtc s VAL 249 Cb -0.22 -2.55 0.00 0.00 0.56 0.00 0.00 36.38 34.17 2jtc s VAL 249 CO -0.03 0.60 0.00 0.61 -0.31 0.00 0.00 175.10 175.97 2jtc n GLY 250 N 2.25 0.58 3.24 2.32 0.00 -1.26 -2.22 105.19 110.10 2jtc n GLY 250 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 2jtc n GLY 250 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jtc s ILE 251 N -1.12 4.74 -0.17 -0.61 1.01 -1.26 -1.21 121.20 122.58 2jtc s ILE 251 Ca 0.00 -2.22 -0.28 0.00 0.00 0.00 0.00 60.65 58.15 2jtc s ILE 251 Cb 0.00 -4.03 0.09 0.00 0.01 0.00 0.00 42.46 38.54 2jtc s ILE 251 CO 0.00 -0.90 0.82 -1.59 0.00 0.00 0.00 174.94 173.28 2jtc s LYS 252 N 0.70 0.81 0.00 2.79 -2.85 -1.26 -4.84 119.74 115.08 2jtc s LYS 252 Ca 0.12 0.46 0.27 0.00 -1.00 0.00 0.00 55.97 55.82 2jtc s LYS 252 Cb -0.20 0.38 1.63 0.00 -2.06 0.00 0.00 37.83 37.58 2jtc s LYS 252 CO -0.03 -0.20 1.97 -0.35 0.10 0.00 0.00 175.35 176.84