#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jtc s PRO 2 N 0.00 3.88 0.16 3.69 0.04 -1.26 -4.32 135.00 137.19 2jtc s PRO 2 Ca 0.00 1.16 -0.15 0.00 0.04 0.00 0.00 61.00 62.05 2jtc s PRO 2 Cb 0.00 -2.12 -0.07 0.00 0.04 0.00 0.00 34.50 32.35 2jtc s PRO 2 CO 0.00 -0.34 0.58 0.08 0.04 0.00 0.00 177.00 177.36 2jtc s VAL 3 N -2.29 4.81 -0.02 -0.36 1.01 -1.26 -3.75 120.40 118.54 2jtc s VAL 3 Ca 0.63 0.88 0.01 0.00 0.00 0.00 0.00 61.98 63.50 2jtc s VAL 3 Cb -0.12 -3.75 0.02 0.00 0.00 0.00 0.00 36.38 32.53 2jtc s VAL 3 CO 0.24 0.22 -0.02 -0.69 0.00 0.00 0.00 175.10 174.85 2jtc s VAL 4 N -1.49 0.27 0.97 2.92 1.01 0.34 -4.79 120.40 119.63 2jtc s VAL 4 Ca 0.39 -0.02 -0.14 0.00 0.00 0.00 0.00 61.98 62.21 2jtc s VAL 4 Cb -0.15 -0.31 0.17 0.00 0.00 0.00 0.00 36.38 36.09 2jtc s VAL 4 CO 0.19 0.14 1.17 -0.54 0.00 0.00 0.00 175.10 176.06 2jtc s LYS 5 N 0.67 0.67 -0.49 2.72 -0.14 -1.26 0.16 119.74 122.07 2jtc s LYS 5 Ca -0.07 0.09 -0.28 0.00 -1.36 0.00 0.00 55.97 54.34 2jtc s LYS 5 Cb -0.10 -1.80 0.02 0.00 -1.68 0.00 0.00 37.83 34.26 2jtc s LYS 5 CO -0.01 -2.48 1.34 0.45 -0.76 0.00 0.00 175.35 173.89 2jtc s SER 6 N -4.19 6.34 0.10 2.83 0.15 -1.19 -3.40 113.70 114.34 2jtc s SER 6 Ca 0.67 0.51 -0.23 0.00 0.70 0.00 0.00 55.95 57.61 2jtc s SER 6 Cb -0.12 -2.55 -0.11 0.00 -1.71 0.00 0.00 66.02 61.54 2jtc s SER 6 CO 0.54 -1.49 1.72 -0.07 1.20 0.00 0.00 173.24 175.14 2jtc h LEU 7 N 12.26 -0.11 -0.94 3.45 3.38 0.45 0.64 115.31 134.43 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 1.09 0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.82 2jtc h LEU 7 CO 1.13 -0.05 0.58 -0.07 0.09 0.00 0.00 178.44 180.12 2jtc h LEU 8 N -0.05 0.88 -0.37 1.67 3.38 -1.90 -0.66 115.31 118.25 2jtc h LEU 8 Ca 0.03 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 2jtc h LEU 8 Cb 0.09 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2jtc h LEU 8 CO -0.07 0.50 -0.13 0.44 0.09 0.00 0.00 178.44 179.28 2jtc h ASP 9 N 0.98 0.75 0.00 -0.43 5.19 -1.52 0.58 116.42 121.97 2jtc h ASP 9 Ca 0.45 -0.38 0.00 0.00 -0.62 0.00 0.00 57.03 56.47 2jtc h ASP 9 Cb 0.36 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.66 2jtc h ASP 9 CO -0.23 0.96 0.08 0.77 -3.12 0.00 0.00 179.24 177.70 2jtc h SER 10 N 0.53 0.00 -0.10 6.45 4.64 0.17 0.50 113.55 125.74 2jtc h SER 10 Ca 0.09 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2jtc h SER 10 Cb 0.65 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.74 2jtc h SER 10 CO 0.04 0.00 -0.01 0.29 -0.87 0.00 0.00 176.83 176.28 2jtc n LYS 11 N -2.25 1.91 -3.79 4.77 5.02 -0.72 -4.94 118.16 118.16 2jtc n LYS 11 Ca -0.01 -2.71 -0.29 0.00 -2.02 0.00 0.00 58.31 53.28 2jtc n LYS 11 Cb 0.11 -1.64 -0.03 0.00 -0.02 0.00 0.00 35.03 33.45 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 -1.08 -0.45 3.54 0.72 0.00 0.17 -4.74 105.19 103.35 2jtc n GLY 12 Ca 0.18 0.08 -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 -2.95 4.66 -0.33 -0.61 1.01 0.19 -3.05 121.20 120.11 2jtc s ILE 13 Ca 0.55 0.43 -0.01 0.00 0.00 0.00 0.00 60.65 61.62 2jtc s ILE 13 Cb -0.31 -4.32 0.11 0.00 0.01 0.00 0.00 42.46 37.95 2jtc s ILE 13 CO 0.68 -0.71 0.13 -1.00 0.00 0.00 0.00 174.94 174.04 2jtc s HIS 14 N 3.27 1.45 0.49 3.97 3.76 0.74 -4.55 115.29 124.42 2jtc s HIS 14 Ca 0.30 -1.68 0.08 0.00 -0.15 0.00 0.00 55.06 53.61 2jtc s HIS 14 Cb -0.12 -1.55 0.03 0.00 1.11 0.00 0.00 32.58 32.05 2jtc s HIS 14 CO 0.22 -0.85 0.58 0.71 -0.85 0.00 0.00 174.74 174.55 2jtc s TYR 15 N 1.49 2.12 0.05 1.40 1.51 -1.26 -3.43 117.35 119.23 2jtc s TYR 15 Ca 0.11 -0.60 0.00 0.00 -1.01 0.00 0.00 57.07 55.57 2jtc s TYR 15 Cb -0.18 -2.20 0.00 0.00 -0.11 0.00 0.00 41.96 39.47 2jtc s TYR 15 CO -0.22 -0.61 0.06 0.09 -1.11 0.00 0.00 175.55 173.76 2jtc n ASN 16 N -1.90 -0.16 0.00 2.29 5.03 -1.26 -4.95 115.26 114.30 2jtc n ASN 16 Ca 0.08 -1.26 0.00 0.00 0.87 0.00 0.00 54.58 54.27 2jtc n ASN 16 Cb 0.61 0.31 0.00 0.00 -1.02 0.00 0.00 39.78 39.68 2jtc n ASN 16 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2jtc n GLN 17 N -0.08 5.02 -0.02 3.52 6.02 -1.26 -4.80 117.38 125.78 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 0.08 -0.45 -0.02 0.00 1.02 0.00 0.00 30.24 30.86 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 0.93 -0.07 0.00 1.08 0.00 -1.26 -2.24 105.19 103.63 2jtc n GLY 18 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2jtc n GLY 18 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2jtc n ASN 19 N -2.63 0.00 0.00 1.61 4.05 -1.26 -3.57 115.26 113.46 2jtc n ASN 19 Ca -0.09 0.00 0.09 0.00 0.45 0.00 0.00 54.58 55.03 2jtc n ASN 19 Cb 0.59 0.00 0.51 0.00 1.23 0.00 0.00 39.78 42.11 2jtc n ASN 19 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 2jtc n PRO 20 N 0.00 0.69 0.00 1.20 -0.04 -1.26 -2.76 135.00 132.83 2jtc n PRO 20 Ca 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 2jtc n PRO 20 Cb 0.00 -1.39 -0.01 0.00 -0.04 0.00 0.00 33.50 32.07 2jtc n PRO 20 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2jtc h TYR 21 N 0.00 0.82 -0.51 0.54 0.05 -1.87 -3.06 116.97 112.94 2jtc h TYR 21 Ca 0.00 -0.34 -0.05 0.00 0.05 0.00 0.00 58.73 58.39 2jtc h TYR 21 Cb 0.00 -0.14 -0.03 0.00 1.01 0.00 0.00 36.73 37.57 2jtc h TYR 21 CO 0.00 1.13 0.07 0.27 -1.05 0.00 0.00 178.16 178.57 2jtc n ASN 22 N -3.91 4.71 0.00 3.88 6.94 -1.11 -4.27 115.26 121.49 2jtc n ASN 22 Ca -0.05 -2.83 0.07 0.00 -0.02 0.00 0.00 54.58 51.75 2jtc n ASN 22 Cb 0.69 -0.67 0.39 0.00 -2.36 0.00 0.00 39.78 37.83 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 0.34 0.00 0.00 -4.53 4.77 -1.16 -3.03 117.00 113.40 2jtc n LEU 23 Ca 0.26 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 2jtc n LEU 23 Cb 1.08 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.17 2jtc n LEU 23 CO 0.29 0.00 0.04 0.18 -1.33 0.00 0.00 177.39 176.57 2jtc n LEU 24 N -0.78 0.15 -4.65 2.23 4.77 -1.26 -4.99 117.00 112.47 2jtc n LEU 24 Ca 0.10 -0.17 -0.30 0.00 -0.03 0.00 0.00 56.01 55.60 2jtc n LEU 24 Cb 0.05 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.31 2jtc n LEU 24 CO 0.07 0.04 0.65 0.42 -1.33 0.00 0.00 177.39 177.24 2jtc s THR 25 N -0.03 2.17 0.26 -5.08 -4.23 -1.17 -4.87 115.64 102.69 2jtc s THR 25 Ca 0.00 0.06 -0.29 0.00 -1.18 0.00 0.00 61.69 60.27 2jtc s THR 25 Cb 0.00 -2.13 -0.09 0.00 1.34 0.00 0.00 72.50 71.61 2jtc s THR 25 CO 0.00 -0.07 1.26 -2.16 -0.54 0.00 0.00 174.62 173.10 2jtc s PRO 26 N -4.65 4.44 0.35 3.99 0.04 -1.26 -4.53 135.00 133.38 2jtc s PRO 26 Ca 0.66 2.05 -0.27 0.00 0.04 0.00 0.00 61.00 63.48 2jtc s PRO 26 Cb -0.23 -3.15 -0.09 0.00 0.04 0.00 0.00 34.50 31.07 2jtc s PRO 26 CO 0.59 -0.12 1.12 0.08 0.04 0.00 0.00 177.00 178.71 2jtc s VAL 27 N -0.59 3.39 0.42 -0.36 1.01 -1.26 -2.84 120.40 120.17 2jtc s VAL 27 Ca 0.51 1.25 -0.22 0.00 0.00 0.00 0.00 61.98 63.52 2jtc s VAL 27 Cb -0.36 -3.74 -0.09 0.00 0.00 0.00 0.00 36.38 32.18 2jtc s VAL 27 CO 0.44 0.19 1.01 -0.63 0.00 0.00 0.00 175.10 176.10 2jtc s ILE 28 N -1.35 3.96 0.00 2.22 1.01 -0.83 -4.85 121.20 121.37 2jtc s ILE 28 Ca 0.51 1.36 0.00 0.00 0.00 0.00 0.00 60.65 62.53 2jtc s ILE 28 Cb -0.30 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.54 2jtc s ILE 28 CO 0.38 -0.13 0.00 -0.62 0.00 0.00 0.00 174.94 174.57 2jtc n GLU 29 N -0.39 2.07 -4.58 2.79 1.02 0.42 -0.24 120.64 121.72 2jtc n GLU 29 Ca 0.06 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.94 2jtc n GLU 29 Cb 0.52 -0.81 -0.10 0.00 -0.02 0.00 0.00 31.44 31.02 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 -1.33 1.90 0.09 3.49 1.02 0.80 -4.80 119.74 120.91 2jtc s LYS 30 Ca 0.00 -2.10 0.07 0.00 0.02 0.00 0.00 55.97 53.96 2jtc s LYS 30 Cb 0.00 -1.32 -0.04 0.00 -0.52 0.00 0.00 37.83 35.95 2jtc s LYS 30 CO 0.00 -0.17 -0.14 0.08 -0.92 0.00 0.00 175.35 174.21 2jtc s VAL 31 N -2.94 3.11 -0.11 3.17 1.01 -1.19 -4.23 120.40 119.21 2jtc s VAL 31 Ca 0.30 -1.29 -0.20 0.00 0.00 0.00 0.00 61.98 60.79 2jtc s VAL 31 Cb 0.08 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 2jtc s VAL 31 CO 0.15 0.17 0.57 -0.75 0.00 0.00 0.00 175.10 175.24 2jtc s LYS 32 N -1.98 4.35 -0.12 2.72 2.20 -1.22 -4.76 119.74 120.93 2jtc s LYS 32 Ca 0.19 0.62 -0.29 0.00 -0.36 0.00 0.00 55.97 56.12 2jtc s LYS 32 Cb -0.11 -3.46 -0.04 0.00 -1.51 0.00 0.00 37.83 32.71 2jtc s LYS 32 CO 0.10 0.07 1.54 -1.25 -0.36 0.00 0.00 175.35 175.45 2jtc s PRO 33 N 0.87 4.12 0.00 4.03 0.04 -1.26 -2.13 135.00 140.67 2jtc s PRO 33 Ca 0.30 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.28 2jtc s PRO 33 Cb -0.16 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.44 2jtc s PRO 33 CO 0.13 -0.90 0.00 0.41 0.04 0.00 0.00 177.00 176.68 2jtc n GLY 34 N 4.10 1.20 3.56 0.56 0.00 -1.26 -5.08 105.19 108.26 2jtc n GLY 34 Ca 0.17 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.56 0.81 -2.03 1.61 4.07 -0.91 -5.17 120.64 117.46 2jtc n GLU 35 Ca 0.00 -2.79 -0.28 0.00 -0.06 0.00 0.00 57.16 54.03 2jtc n GLU 35 Cb 0.00 2.81 0.13 0.00 -0.06 0.00 0.00 31.44 34.32 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 -2.69 1.33 0.12 5.31 1.11 -1.26 -4.80 119.66 118.78 2jtc s GLN 36 Ca 0.28 -0.33 -0.29 0.00 0.01 0.00 0.00 55.36 55.03 2jtc s GLN 36 Cb -0.02 -1.97 -0.06 0.00 -1.01 0.00 0.00 33.01 29.95 2jtc s GLN 36 CO 0.20 -1.92 0.90 0.45 0.01 0.00 0.00 175.29 174.93 2jtc s SER 37 N -4.74 7.45 -0.09 5.90 0.15 -1.26 -4.37 113.70 116.74 2jtc s SER 37 Ca 0.68 1.73 0.14 0.00 0.70 0.00 0.00 55.95 59.19 2jtc s SER 37 Cb -0.07 -2.56 0.21 0.00 -1.71 0.00 0.00 66.02 61.89 2jtc s SER 37 CO 0.50 0.01 1.10 0.49 1.20 0.00 0.00 173.24 176.53 2jtc n PHE 38 N 2.51 0.00 -2.16 3.44 3.72 -1.26 -5.01 117.46 118.69 2jtc n PHE 38 Ca 0.00 -0.76 -0.40 0.00 -0.05 0.00 0.00 57.45 56.24 2jtc n PHE 38 Cb 0.49 -0.12 -0.02 0.00 -0.94 0.00 0.00 39.48 38.89 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 -2.14 2.82 0.00 -4.37 1.01 -1.26 -1.80 120.40 114.66 2jtc s VAL 39 Ca 0.23 0.82 0.00 0.00 0.00 0.00 0.00 61.98 63.02 2jtc s VAL 39 Cb 0.20 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 33.07 2jtc s VAL 39 CO 0.02 0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.92 2jtc n GLY 40 N 0.83 1.41 3.75 4.51 0.00 0.66 -4.91 105.19 111.44 2jtc n GLY 40 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.02 4.58 -0.43 1.61 -0.21 -0.75 -4.79 119.66 119.65 2jtc s GLN 41 Ca 0.00 1.19 -0.28 0.00 0.02 0.00 0.00 55.36 56.29 2jtc s GLN 41 Cb 0.00 -3.33 0.00 0.00 1.00 0.00 0.00 33.01 30.68 2jtc s GLN 41 CO 0.00 0.37 1.53 -1.01 -2.12 0.00 0.00 175.29 174.06 2jtc s HIS 42 N -0.44 2.19 1.11 0.91 3.76 -1.26 -1.96 115.29 119.60 2jtc s HIS 42 Ca 0.39 0.63 -0.18 0.00 -0.15 0.00 0.00 55.06 55.76 2jtc s HIS 42 Cb -0.22 -4.27 0.10 0.00 1.11 0.00 0.00 32.58 29.30 2jtc s HIS 42 CO 0.26 -2.24 0.05 0.00 -0.85 0.00 0.00 174.74 171.96 2jtc n ALA 43 N 9.54 -4.01 -1.97 -1.40 0.00 -1.13 -4.82 120.51 116.72 2jtc n ALA 43 Ca 0.18 -1.23 -0.24 0.00 0.00 0.00 0.00 53.44 52.15 2jtc n ALA 43 Cb 0.48 -1.55 0.08 0.00 0.00 0.00 0.00 19.45 18.46 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 -2.25 3.56 0.00 0.00 0.00 0.49 -4.60 121.76 118.97 2jtc s ALA 44 Ca 0.56 -1.38 -0.08 0.00 0.00 0.00 0.00 51.96 51.06 2jtc s ALA 44 Cb -0.13 -2.21 -0.30 0.00 0.00 0.00 0.00 23.12 20.48 2jtc s ALA 44 CO 0.66 -1.24 0.87 1.79 0.00 0.00 0.00 175.76 177.85 2jtc h THR 45 N -0.40 1.16 0.00 0.00 1.35 -1.76 -3.43 112.91 109.84 2jtc h THR 45 Ca -0.41 -2.73 0.00 0.00 -0.55 0.00 0.00 66.41 62.72 2jtc h THR 45 Cb 1.29 2.85 0.00 0.00 -1.73 0.00 0.00 68.15 70.55 2jtc h THR 45 CO 0.49 0.84 0.00 0.61 -0.25 0.00 0.00 175.52 177.20 2jtc n GLY 46 N 1.71 2.41 0.28 5.82 0.00 -1.25 -4.39 105.19 109.77 2jtc n GLY 46 Ca -0.18 -1.49 -0.12 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.73 -0.60 1.61 4.64 -1.90 0.25 113.55 116.82 2jtc h SER 47 Ca 0.00 0.10 0.11 0.00 -0.47 0.00 0.00 61.79 61.53 2jtc h SER 47 Cb 0.00 0.29 -0.12 0.00 -0.31 0.00 0.00 62.40 62.27 2jtc h SER 47 CO 0.00 -0.32 -0.27 0.58 -0.87 0.00 0.00 176.83 175.95 2jtc h VAL 48 N -0.40 0.24 0.19 0.95 2.07 -1.81 1.44 116.25 118.93 2jtc h VAL 48 Ca 0.05 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.57 2jtc h VAL 48 Cb 0.47 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 30.48 2jtc h VAL 48 CO -0.20 0.00 -0.12 0.00 0.02 0.00 0.00 177.57 177.27 2jtc h ALA 49 N 1.24 -0.29 -0.21 1.67 0.00 -1.48 -1.03 119.26 119.17 2jtc h ALA 49 Ca 0.26 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 2jtc h ALA 49 Cb 0.53 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2jtc h ALA 49 CO -0.67 -0.67 -0.04 1.15 0.00 0.00 0.00 179.25 179.02 2jtc h THR 50 N -0.30 1.16 -0.47 0.00 2.02 0.12 0.71 112.91 116.15 2jtc h THR 50 Ca -0.02 -0.63 -0.09 0.00 0.77 0.00 0.00 66.41 66.44 2jtc h THR 50 Cb 0.25 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 2jtc h THR 50 CO 0.01 0.21 -0.06 0.00 0.37 0.00 0.00 175.52 176.05 2jtc h ALA 51 N 1.66 0.64 0.10 6.16 0.00 0.24 -1.24 119.26 126.83 2jtc h ALA 51 Ca 0.07 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 2jtc h ALA 51 Cb 0.27 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2jtc h ALA 51 CO 0.01 0.49 -0.05 1.15 0.00 0.00 0.00 179.25 180.85 2jtc h THR 52 N 0.71 1.07 -0.84 0.00 2.02 -0.45 -3.09 112.91 112.33 2jtc h THR 52 Ca 0.13 -1.31 0.14 0.00 0.77 0.00 0.00 66.41 66.14 2jtc h THR 52 Cb 0.59 1.82 -0.09 0.00 -1.74 0.00 0.00 68.15 68.72 2jtc h THR 52 CO 0.04 0.29 0.43 0.00 0.37 0.00 0.00 175.52 176.64 2jtc h ALA 53 N -0.12 1.26 -0.27 6.16 0.00 0.39 1.02 119.26 127.71 2jtc h ALA 53 Ca -0.01 0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.02 2jtc h ALA 53 Cb 0.57 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 2jtc h ALA 53 CO 0.02 -0.08 0.04 1.96 0.00 0.00 0.00 179.25 181.19 2jtc h GLN 54 N 0.63 0.14 0.00 0.00 4.20 -1.28 1.18 115.11 119.98 2jtc h GLN 54 Ca 0.46 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 59.12 2jtc h GLN 54 Cb 0.63 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 2jtc h GLN 54 CO -0.36 0.09 -0.19 0.82 -0.67 0.00 0.00 178.83 178.52 2jtc h ILE 55 N 0.14 0.75 -0.21 2.54 2.04 -0.82 0.46 117.51 122.42 2jtc h ILE 55 Ca 0.13 -0.78 -0.14 0.00 1.00 0.00 0.00 64.86 65.06 2jtc h ILE 55 Cb 0.14 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 2jtc h ILE 55 CO -0.17 0.19 -0.47 0.24 0.00 0.00 0.00 178.15 177.93 2jtc h MET 56 N 0.00 0.55 -0.17 2.37 2.86 0.53 -2.44 114.93 118.63 2jtc h MET 56 Ca -0.00 -0.31 -0.17 0.00 -2.06 0.00 0.00 59.70 57.16 2jtc h MET 56 Cb 0.46 0.02 0.01 0.00 0.06 0.00 0.00 31.60 32.15 2jtc h MET 56 CO 0.03 0.90 -0.55 -0.22 1.06 0.00 0.00 176.91 178.13 2jtc h LYS 57 N 0.44 0.67 -0.67 1.72 1.63 0.31 1.69 116.57 122.35 2jtc h LYS 57 Ca 0.02 -0.49 0.17 0.00 -0.85 0.00 0.00 60.65 59.50 2jtc h LYS 57 Cb 0.99 0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 32.67 2jtc h LYS 57 CO 0.09 1.11 0.47 -0.92 -3.45 0.00 0.00 179.45 176.75 2jtc h TYR 58 N 0.35 0.18 0.00 1.91 5.03 0.06 -2.20 116.97 122.31 2jtc h TYR 58 Ca -0.02 0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.24 2jtc h TYR 58 Cb 1.17 -0.06 -0.01 0.00 1.55 0.00 0.00 36.73 39.38 2jtc h TYR 58 CO 0.10 0.07 -1.66 0.72 -1.32 0.00 0.00 178.16 176.06 2jtc n HIS 59 N -4.40 0.00 -4.26 -3.82 8.25 -0.94 -4.98 115.22 105.06 2jtc n HIS 59 Ca 0.13 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.26 2jtc n HIS 59 Cb 0.64 -0.37 -0.08 0.00 1.12 0.00 0.00 29.99 31.30 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 0.14 0.00 0.41 0.23 0.58 -4.86 115.26 109.67 2jtc n ASN 60 Ca -0.07 -1.26 0.00 0.00 -0.53 0.00 0.00 54.58 52.72 2jtc n ASN 60 Cb 0.48 -1.71 0.00 0.00 -2.08 0.00 0.00 39.78 36.47 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 -4.64 0.00 -2.04 -2.53 9.36 -1.25 -4.64 117.16 111.42 2jtc n TYR 61 Ca -0.30 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.50 2jtc n TYR 61 Cb 0.68 -0.28 -0.03 0.00 -0.63 0.00 0.00 39.34 39.08 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 -1.35 3.19 0.51 2.98 0.04 -1.26 -4.79 135.00 134.32 2jtc s PRO 62 Ca 0.00 1.20 0.29 0.00 0.04 0.00 0.00 61.00 62.54 2jtc s PRO 62 Cb 0.00 -4.23 1.19 0.00 0.04 0.00 0.00 34.50 31.51 2jtc s PRO 62 CO 0.00 -2.04 1.93 -0.91 0.04 0.00 0.00 177.00 176.02 2jtc h ASN 63 N 13.20 0.00 -4.54 6.66 2.35 -1.82 -3.40 115.58 128.03 2jtc h ASN 63 Ca -0.31 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.11 2jtc h ASN 63 Cb 1.16 0.00 -0.23 0.00 0.05 0.00 0.00 38.32 39.31 2jtc h ASN 63 CO 1.08 0.10 -0.75 -0.75 -1.65 0.00 0.00 177.43 175.46 2jtc s LYS 64 N -3.70 0.62 0.50 0.81 2.20 -1.26 0.25 119.74 119.15 2jtc s LYS 64 Ca 0.01 -0.71 -0.23 0.00 -0.36 0.00 0.00 55.97 54.67 2jtc s LYS 64 Cb 0.10 -0.49 -0.07 0.00 -1.51 0.00 0.00 37.83 35.86 2jtc s LYS 64 CO 0.58 0.11 1.30 0.41 -0.36 0.00 0.00 175.35 177.39 2jtc n GLY 65 N 1.69 0.63 0.13 5.54 0.00 -1.01 -4.87 105.19 107.31 2jtc n GLY 65 Ca -0.21 0.08 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 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 1.67 0.51 -7.29 0.99 6.46 -1.24 -3.37 115.31 113.04 2jtc h LEU 66 Ca -0.50 -0.79 -0.12 0.00 -0.12 0.00 0.00 57.88 56.35 2jtc h LEU 66 Cb 1.30 -0.17 -0.25 0.00 -0.73 0.00 0.00 40.66 40.82 2jtc h LEU 66 CO 0.58 1.67 -0.25 -0.75 -0.62 0.00 0.00 178.44 179.07 2jtc s LYS 67 N -2.59 0.46 0.72 1.25 2.20 -1.01 -4.70 119.74 116.07 2jtc s LYS 67 Ca -0.14 0.63 -0.16 0.00 -0.36 0.00 0.00 55.97 55.94 2jtc s LYS 67 Cb 0.06 0.16 0.03 0.00 -1.51 0.00 0.00 37.83 36.57 2jtc s LYS 67 CO 0.84 -0.09 1.21 -0.25 -0.36 0.00 0.00 175.35 176.71 2jtc n ASP 68 N 3.24 1.44 -4.42 1.43 8.00 -1.26 -3.58 116.55 121.40 2jtc n ASP 68 Ca -0.16 0.71 -0.24 0.00 0.71 0.00 0.00 54.79 55.81 2jtc n ASP 68 Cb 0.57 -1.52 -0.10 0.00 -0.02 0.00 0.00 41.12 40.05 2jtc n ASP 68 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 2jtc s TYR 69 N -1.74 1.97 -0.28 1.24 1.13 -1.17 -4.86 117.35 113.64 2jtc s TYR 69 Ca 0.78 -1.01 -0.20 0.00 -1.41 0.00 0.00 57.07 55.23 2jtc s TYR 69 Cb -0.34 -1.34 0.13 0.00 -1.10 0.00 0.00 41.96 39.31 2jtc s TYR 69 CO 0.46 0.00 0.98 -0.08 -2.51 0.00 0.00 175.55 174.40 2jtc s THR 70 N -3.17 0.00 -0.05 -3.49 -1.32 -1.26 -3.53 115.64 102.82 2jtc s THR 70 Ca 0.30 0.00 -0.13 0.00 -1.21 0.00 0.00 61.69 60.66 2jtc s THR 70 Cb 0.07 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 70.08 2jtc s THR 70 CO 0.14 0.00 0.29 -0.72 -2.21 0.00 0.00 174.62 172.12 2jtc s TYR 71 N 0.84 -0.21 -0.07 9.09 -0.85 -1.12 -5.02 117.35 120.01 2jtc s TYR 71 Ca -0.03 0.42 -0.16 0.00 -0.52 0.00 0.00 57.07 56.78 2jtc s TYR 71 Cb -0.04 0.09 -0.05 0.00 0.38 0.00 0.00 41.96 42.33 2jtc s TYR 71 CO -0.11 -0.30 0.41 0.99 -1.52 0.00 0.00 175.55 175.02 2jtc s THR 72 N -0.81 5.13 0.44 -3.49 2.01 -1.26 -1.21 115.64 116.45 2jtc s THR 72 Ca -0.09 0.82 -0.23 0.00 0.31 0.00 0.00 61.69 62.49 2jtc s THR 72 Cb -0.04 -3.73 -0.10 0.00 0.01 0.00 0.00 72.50 68.64 2jtc s THR 72 CO 0.03 0.47 0.94 -0.11 -0.69 0.00 0.00 174.62 175.26 2jtc n LEU 73 N 2.70 2.37 -4.76 4.42 7.94 0.16 -4.89 117.00 124.95 2jtc n LEU 73 Ca -0.12 1.00 -0.39 0.00 -1.11 0.00 0.00 56.01 55.39 2jtc n LEU 73 Cb 0.52 -1.33 0.03 0.00 0.53 0.00 0.00 43.42 43.17 2jtc n LEU 73 CO 0.40 -1.70 0.99 -0.55 -1.11 0.00 0.00 177.39 175.41 2jtc s SER 74 N -0.82 5.61 0.00 1.96 0.15 -1.26 -4.74 113.70 114.60 2jtc s SER 74 Ca 0.64 2.76 0.20 0.00 0.70 0.00 0.00 55.95 60.25 2jtc s SER 74 Cb -0.55 -2.64 1.18 0.00 -1.71 0.00 0.00 66.02 62.31 2jtc s SER 74 CO 0.56 -1.34 1.58 -1.54 1.20 0.00 0.00 173.24 173.70 2jtc n SER 75 N -0.65 0.00 0.00 5.45 3.41 -1.26 -1.92 113.62 118.66 2jtc n SER 75 Ca 0.08 -0.61 0.11 0.00 -0.26 0.00 0.00 58.87 58.19 2jtc n SER 75 Cb 0.44 -0.01 0.01 0.00 -0.26 0.00 0.00 64.21 64.40 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 -1.01 0.80 -4.61 4.04 5.15 -1.26 -4.87 115.26 113.51 2jtc n ASN 76 Ca 0.15 -0.69 -0.43 0.00 -0.60 0.00 0.00 54.58 53.01 2jtc n ASN 76 Cb 0.07 0.75 -0.03 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 -3.07 6.09 -0.08 1.20 3.84 -0.81 -4.84 114.94 117.28 2jtc s ASN 77 Ca 0.09 1.28 0.07 0.00 0.21 0.00 0.00 52.86 54.50 2jtc s ASN 77 Cb 0.16 -2.53 0.35 0.00 -0.55 0.00 0.00 41.25 38.69 2jtc s ASN 77 CO 0.81 -1.55 1.11 -0.81 -2.79 0.00 0.00 177.10 173.87 2jtc n PRO 78 N 8.19 2.52 -0.00 0.43 -0.04 -1.26 -3.89 135.00 140.94 2jtc n PRO 78 Ca 0.21 -1.37 0.07 0.00 -0.04 0.00 0.00 63.50 62.37 2jtc n PRO 78 Cb 0.47 -1.70 -0.09 0.00 -0.04 0.00 0.00 33.50 32.13 2jtc n PRO 78 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2jtc n TYR 79 N 0.33 0.00 -4.26 0.54 4.01 -1.26 -3.18 117.16 113.34 2jtc n TYR 79 Ca 0.12 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.72 2jtc n TYR 79 Cb 0.58 -0.17 -0.10 0.00 -0.31 0.00 0.00 39.34 39.34 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 -2.65 1.31 0.00 -0.72 0.40 -1.25 0.28 117.98 115.35 2jtc s PHE 80 Ca -0.00 -1.13 0.00 0.00 -0.60 0.00 0.00 56.93 55.19 2jtc s PHE 80 Cb 0.10 -0.75 0.00 0.00 0.51 0.00 0.00 43.02 42.88 2jtc s PHE 80 CO 0.57 -0.32 0.36 0.09 0.70 0.00 0.00 175.22 176.62 2jtc n ASN 81 N -0.32 0.00 0.00 1.36 3.02 -1.26 -4.85 115.26 113.20 2jtc n ASN 81 Ca -0.03 0.36 0.00 0.00 -0.03 0.00 0.00 54.58 54.88 2jtc n ASN 81 Cb 0.65 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.82 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 -0.56 0.00 -1.05 3.10 8.25 -1.26 -4.95 115.22 118.75 2jtc n HIS 82 Ca 0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.15 2jtc n HIS 82 Cb 0.00 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.09 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 2.87 -3.71 -0.41 -0.04 -1.26 -4.33 135.00 128.12 2jtc n PRO 83 Ca 0.00 -1.85 -0.37 0.00 -0.04 0.00 0.00 63.50 61.24 2jtc n PRO 83 Cb 0.00 -2.65 -0.12 0.00 -0.04 0.00 0.00 33.50 30.69 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 2.85 3.71 -0.28 0.54 2.47 -1.26 -4.99 119.74 122.78 2jtc s LYS 84 Ca 0.55 -0.45 -0.11 0.00 -1.56 0.00 0.00 55.97 54.40 2jtc s LYS 84 Cb 0.14 -3.42 -0.04 0.00 -1.46 0.00 0.00 37.83 33.05 2jtc s LYS 84 CO -0.04 -0.20 0.18 -0.80 0.16 0.00 0.00 175.35 174.65 2jtc s ASN 85 N 1.65 5.90 0.04 1.43 0.02 -1.26 0.40 114.94 123.12 2jtc s ASN 85 Ca 0.06 -0.10 -0.10 0.00 -1.02 0.00 0.00 52.86 51.70 2jtc s ASN 85 Cb -0.15 -2.09 -0.05 0.00 0.02 0.00 0.00 41.25 38.97 2jtc s ASN 85 CO 0.06 -0.08 0.36 -0.76 0.02 0.00 0.00 177.10 176.70 2jtc s LEU 86 N 1.73 4.38 -0.02 0.60 1.02 -0.35 -4.98 118.68 121.07 2jtc s LEU 86 Ca 0.07 0.77 0.00 0.00 0.02 0.00 0.00 54.13 54.99 2jtc s LEU 86 Cb -0.16 -2.79 0.03 0.00 0.02 0.00 0.00 46.19 43.29 2jtc s LEU 86 CO 0.10 0.23 0.01 0.12 0.02 0.00 0.00 176.35 176.84 2jtc s PHE 87 N -1.29 0.15 -0.24 0.29 5.36 -1.26 -2.80 117.98 118.20 2jtc s PHE 87 Ca 0.29 0.07 -0.05 0.00 -0.96 0.00 0.00 56.93 56.28 2jtc s PHE 87 Cb -0.14 -0.29 -0.01 0.00 -0.34 0.00 0.00 43.02 42.23 2jtc s PHE 87 CO 0.16 -0.10 -0.00 0.00 -1.46 0.00 0.00 175.22 173.82 2jtc s ALA 88 N 0.96 2.92 0.00 11.12 0.00 -1.23 -4.97 121.76 130.57 2jtc s ALA 88 Ca -0.09 -1.19 -0.03 0.00 0.00 0.00 0.00 51.96 50.65 2jtc s ALA 88 Cb -0.12 -1.84 -0.14 0.00 0.00 0.00 0.00 23.12 21.02 2jtc s ALA 88 CO -0.02 -0.50 2.65 0.00 0.00 0.00 0.00 175.76 177.89 2jtc n ALA 89 N 4.83 4.91 0.07 0.00 0.00 -1.26 -3.05 120.51 126.01 2jtc n ALA 89 Ca -0.17 -0.95 -0.13 0.00 0.00 0.00 0.00 53.44 52.19 2jtc n ALA 89 Cb 0.51 -1.82 -0.06 0.00 0.00 0.00 0.00 19.45 18.08 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 1.70 0.21 -1.04 0.00 2.04 -1.93 0.37 117.51 118.86 2jtc h ILE 90 Ca 0.10 0.00 0.30 0.00 1.00 0.00 0.00 64.86 66.26 2jtc h ILE 90 Cb 1.15 0.21 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 2jtc h ILE 90 CO 0.15 0.00 1.00 0.77 0.00 0.00 0.00 178.15 180.07 2jtc h SER 91 N -0.55 0.00 -0.63 1.72 4.64 -1.72 2.16 113.55 119.16 2jtc h SER 91 Ca 0.05 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.96 2jtc h SER 91 Cb 0.62 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 62.47 2jtc h SER 91 CO -0.28 0.00 -0.05 0.35 -0.87 0.00 0.00 176.83 175.98 2jtc n THR 92 N -3.60 2.81 -3.39 2.95 -2.24 0.12 -4.45 114.28 106.48 2jtc n THR 92 Ca 0.23 -3.15 -0.27 0.00 -2.27 0.00 0.00 64.05 58.58 2jtc n THR 92 Cb 1.33 -0.72 -0.03 0.00 -2.10 0.00 0.00 70.33 68.82 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 -3.47 3.58 -0.58 -0.78 1.81 0.73 -4.90 118.95 115.34 2jtc s ARG 93 Ca 0.51 -0.12 0.02 0.00 -1.72 0.00 0.00 55.73 54.43 2jtc s ARG 93 Cb 0.43 -2.68 0.15 0.00 -0.45 0.00 0.00 34.95 32.40 2jtc s ARG 93 CO 0.01 0.22 0.35 -1.14 -0.68 0.00 0.00 175.30 174.06 2jtc s GLN 94 N -3.69 2.23 -1.11 3.54 -0.44 -1.26 -2.80 119.66 116.13 2jtc s GLN 94 Ca 0.42 -2.70 -0.21 0.00 -2.50 0.00 0.00 55.36 50.37 2jtc s GLN 94 Cb -0.11 -3.46 0.06 0.00 -1.64 0.00 0.00 33.01 27.87 2jtc s GLN 94 CO 0.31 -1.15 1.53 0.71 0.50 0.00 0.00 175.29 177.19 2jtc s TYR 95 N -0.40 2.67 -0.99 1.67 2.02 0.69 -4.91 117.35 118.11 2jtc s TYR 95 Ca 0.18 -1.17 -0.23 0.00 -0.37 0.00 0.00 57.07 55.48 2jtc s TYR 95 Cb -0.22 -4.69 0.04 0.00 -0.40 0.00 0.00 41.96 36.70 2jtc s TYR 95 CO -0.03 -1.86 1.46 1.21 -1.57 0.00 0.00 175.55 174.77 2jtc s ASN 96 N 4.60 6.39 0.00 2.29 2.47 -1.26 -4.48 114.94 124.94 2jtc s ASN 96 Ca 0.48 -1.31 0.02 0.00 0.42 0.00 0.00 52.86 52.47 2jtc s ASN 96 Cb 0.01 -2.57 0.10 0.00 -1.45 0.00 0.00 41.25 37.34 2jtc s ASN 96 CO -0.04 -1.61 0.90 0.79 -3.72 0.00 0.00 177.10 173.42 2jtc n TRP 97 N 9.23 0.00 0.17 0.43 7.02 -1.26 -0.05 117.44 132.99 2jtc n TRP 97 Ca 0.31 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.90 2jtc n TRP 97 Cb 0.51 -0.31 0.02 0.00 -2.42 0.00 0.00 31.31 29.11 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 0.02 -0.99 -1.24 -2.01 -3.34 115.58 108.02 2jtc h ASN 98 Ca 0.00 -0.04 -0.32 0.00 0.71 0.00 0.00 56.30 56.65 2jtc h ASN 98 Cb 0.02 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 39.01 2jtc h ASN 98 CO 0.00 0.02 -2.32 0.59 -1.29 0.00 0.00 177.43 174.43 2jtc n ASN 99 N -2.60 0.03 -3.50 1.15 3.02 0.93 -4.55 115.26 109.74 2jtc n ASN 99 Ca 0.00 0.01 -0.37 0.00 -0.03 0.00 0.00 54.58 54.20 2jtc n ASN 99 Cb 0.53 1.09 -0.03 0.00 -0.61 0.00 0.00 39.78 40.76 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 -2.70 2.71 -1.42 2.41 5.41 -0.27 -4.52 119.36 120.98 2jtc n ILE 100 Ca -0.29 -2.04 -0.39 0.00 1.00 0.00 0.00 62.75 61.03 2jtc n ILE 100 Cb 1.08 -2.39 0.02 0.00 -0.71 0.00 0.00 39.64 37.65 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 5.82 -0.40 0.22 1.39 4.77 -1.26 -4.86 117.00 122.68 2jtc n LEU 101 Ca 0.53 0.77 0.13 0.00 -0.03 0.00 0.00 56.01 57.41 2jtc n LEU 101 Cb 0.31 -1.09 0.25 0.00 -2.33 0.00 0.00 43.42 40.57 2jtc n LEU 101 CO 0.90 -3.36 0.84 1.55 -1.33 0.00 0.00 177.39 175.98 2jtc h PRO 102 N 0.36 0.00 -3.16 3.23 0.13 -1.85 -3.43 132.00 127.28 2jtc h PRO 102 Ca -0.43 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.40 2jtc h PRO 102 Cb 1.41 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 32.18 2jtc h PRO 102 CO 0.47 0.00 -0.65 -0.08 -0.23 0.00 0.00 178.00 177.51 2jtc s THR 103 N -3.25 -0.20 -0.09 1.56 -1.32 -1.17 0.26 115.64 111.43 2jtc s THR 103 Ca 0.07 0.34 -0.01 0.00 -1.21 0.00 0.00 61.69 60.88 2jtc s THR 103 Cb 0.06 -0.26 -0.03 0.00 -1.51 0.00 0.00 72.50 70.76 2jtc s THR 103 CO 0.65 0.14 -0.05 -0.31 -2.21 0.00 0.00 174.62 172.84 2jtc s TYR 104 N 2.10 3.01 -2.11 9.09 2.02 -1.22 -4.93 117.35 125.31 2jtc s TYR 104 Ca 0.01 0.02 0.22 0.00 -0.37 0.00 0.00 57.07 56.95 2jtc s TYR 104 Cb -0.12 -1.77 0.03 0.00 -0.40 0.00 0.00 41.96 39.70 2jtc s TYR 104 CO -0.05 0.32 1.08 -1.13 -1.57 0.00 0.00 175.55 174.19 2jtc n SER 105 N 2.39 2.14 0.00 2.29 3.41 -1.26 -4.94 113.62 117.65 2jtc n SER 105 Ca -0.18 -1.57 0.00 0.00 -0.26 0.00 0.00 58.87 56.86 2jtc n SER 105 Cb 0.53 0.38 0.00 0.00 -0.26 0.00 0.00 64.21 64.86 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 1.35 0.85 0.21 5.00 0.00 -1.26 -4.83 105.19 106.51 2jtc n GLY 106 Ca 0.10 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.02 0.38 -0.95 1.61 1.74 -1.26 -4.97 116.66 111.19 2jtc n ARG 107 Ca 0.00 -0.77 -0.29 0.00 -0.77 0.00 0.00 57.85 56.03 2jtc n ARG 107 Cb 0.00 -1.08 0.21 0.00 -1.02 0.00 0.00 32.46 30.58 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 -0.60 -0.31 1.20 5.56 8.01 -1.26 -5.00 118.70 126.31 2jtc s GLU 108 Ca 0.06 0.52 -0.17 0.00 0.01 0.00 0.00 54.97 55.39 2jtc s GLU 108 Cb 0.05 -1.65 0.29 0.00 -4.31 0.00 0.00 34.13 28.50 2jtc s GLU 108 CO 0.09 -3.23 1.04 -1.54 0.01 0.00 0.00 175.26 171.63 2jtc s SER 109 N -3.21 0.82 0.12 -0.19 1.04 -1.26 -4.87 113.70 106.16 2jtc s SER 109 Ca 0.67 1.00 -0.02 0.00 0.48 0.00 0.00 55.95 58.09 2jtc s SER 109 Cb -0.20 -1.51 -0.12 0.00 0.10 0.00 0.00 66.02 64.29 2jtc s SER 109 CO 0.60 -4.23 1.28 0.78 0.98 0.00 0.00 173.24 172.65 2jtc h ASN 110 N -2.65 0.39 0.25 7.02 2.35 -1.98 -2.88 115.58 118.09 2jtc h ASN 110 Ca -0.51 -0.35 0.00 0.00 -0.55 0.00 0.00 56.30 54.90 2jtc h ASN 110 Cb 1.32 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 39.53 2jtc h ASN 110 CO 0.42 1.18 -0.52 0.58 -1.65 0.00 0.00 177.43 177.45 2jtc h VAL 111 N 0.14 0.02 -0.35 2.81 2.07 -1.98 1.58 116.25 120.54 2jtc h VAL 111 Ca -0.08 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 2jtc h VAL 111 Cb 1.67 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 2jtc h VAL 111 CO 0.16 0.00 0.07 1.56 0.02 0.00 0.00 177.57 179.38 2jtc h GLN 112 N -0.84 0.51 -0.46 1.57 7.50 -1.80 -1.40 115.11 120.20 2jtc h GLN 112 Ca -0.02 -0.08 -0.07 0.00 0.50 0.00 0.00 58.65 58.97 2jtc h GLN 112 Cb 0.80 -0.09 -0.02 0.00 0.05 0.00 0.00 27.48 28.22 2jtc h GLN 112 CO -0.21 0.48 0.02 0.87 -1.50 0.00 0.00 178.83 178.49 2jtc h LYS 113 N 0.50 0.80 -0.60 1.46 1.57 -0.98 -2.11 116.57 117.20 2jtc h LYS 113 Ca 0.12 -0.25 0.02 0.00 -1.87 0.00 0.00 60.65 58.67 2jtc h LYS 113 Cb 0.21 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 2jtc h LYS 113 CO -0.00 0.85 0.40 1.98 -0.57 0.00 0.00 179.45 182.10 2jtc h MET 114 N 0.65 0.72 0.08 3.15 4.05 0.31 -0.42 114.93 123.48 2jtc h MET 114 Ca 0.13 -0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 59.50 2jtc h MET 114 Cb 0.48 -0.16 -0.00 0.00 -0.80 0.00 0.00 31.60 31.11 2jtc h MET 114 CO 0.02 0.48 -0.06 0.00 0.23 0.00 0.00 176.91 177.58 2jtc h ALA 115 N 1.64 -0.91 -0.83 0.39 0.00 -0.60 -1.40 119.26 117.56 2jtc h ALA 115 Ca 0.23 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.12 2jtc h ALA 115 Cb 0.01 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2jtc h ALA 115 CO -0.06 -0.90 0.54 0.97 0.00 0.00 0.00 179.25 179.80 2jtc h ILE 116 N -0.13 1.22 -0.78 0.00 6.09 -1.44 -2.21 117.51 120.25 2jtc h ILE 116 Ca -0.01 -0.41 0.11 0.00 -1.37 0.00 0.00 64.86 63.19 2jtc h ILE 116 Cb 0.11 -0.00 -0.08 0.00 0.47 0.00 0.00 36.82 37.32 2jtc h ILE 116 CO 0.01 0.21 0.40 0.77 -3.07 0.00 0.00 178.15 176.47 2jtc h SER 117 N 1.13 0.51 -0.33 2.19 4.64 -1.03 0.35 113.55 121.01 2jtc h SER 117 Ca 0.30 0.07 -0.12 0.00 -0.47 0.00 0.00 61.79 61.57 2jtc h SER 117 Cb -0.12 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 61.95 2jtc h SER 117 CO -0.06 0.26 -0.27 -0.08 -0.87 0.00 0.00 176.83 175.81 2jtc h GLU 118 N 0.64 0.76 -0.03 4.77 4.81 -0.83 -0.68 114.58 124.00 2jtc h GLU 118 Ca 0.40 -0.38 0.03 0.00 -0.13 0.00 0.00 59.36 59.29 2jtc h GLU 118 Cb 0.48 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.81 2jtc h GLU 118 CO -0.30 1.00 -0.24 1.25 -0.73 0.00 0.00 179.01 179.99 2jtc h LEU 119 N 0.53 -0.71 -0.75 1.64 5.85 -0.63 1.57 115.31 122.81 2jtc h LEU 119 Ca 0.06 0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.94 2jtc h LEU 119 Cb 0.84 0.30 -0.06 0.00 0.37 0.00 0.00 40.66 42.11 2jtc h LEU 119 CO 0.07 -0.30 0.44 0.24 -0.34 0.00 0.00 178.44 178.55 2jtc h MET 120 N -0.36 0.79 -0.60 1.25 2.86 -0.89 1.69 114.93 119.67 2jtc h MET 120 Ca 0.07 -0.05 -0.10 0.00 -2.06 0.00 0.00 59.70 57.57 2jtc h MET 120 Cb 0.45 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 2jtc h MET 120 CO -0.24 0.52 -0.01 0.00 1.06 0.00 0.00 176.91 178.25 2jtc h ALA 121 N 1.37 0.85 -0.17 6.32 0.00 0.38 1.77 119.26 129.78 2jtc h ALA 121 Ca 0.33 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2jtc h ALA 121 Cb 0.17 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2jtc h ALA 121 CO -0.17 0.67 -0.09 -0.44 0.00 0.00 0.00 179.25 179.22 2jtc h ASP 122 N 0.96 0.36 0.45 0.00 3.32 0.36 0.83 116.42 122.69 2jtc h ASP 122 Ca 0.17 -0.42 -0.02 0.00 0.02 0.00 0.00 57.03 56.78 2jtc h ASP 122 Cb 0.56 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.02 2jtc h ASP 122 CO 0.03 0.70 -0.21 0.58 -1.72 0.00 0.00 179.24 178.62 2jtc h VAL 123 N 0.03 0.00 -1.05 -1.35 2.07 0.27 0.97 116.25 117.19 2jtc h VAL 123 Ca 0.04 -0.24 0.31 0.00 0.82 0.00 0.00 66.70 67.63 2jtc h VAL 123 Cb 0.57 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.21 2jtc h VAL 123 CO 0.03 0.00 0.63 1.23 0.02 0.00 0.00 177.57 179.47 2jtc h GLY 124 N -0.83 1.77 0.51 2.17 0.00 0.26 0.25 103.07 107.20 2jtc h GLY 124 Ca -0.06 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 2jtc h GLY 124 CO 0.10 -0.35 -0.24 -2.22 0.00 0.00 0.00 176.54 173.83 2jtc h ILE 125 N 0.38 0.00 -0.78 2.60 2.04 -0.66 1.18 117.51 122.27 2jtc h ILE 125 Ca 0.70 -0.48 0.23 0.00 1.00 0.00 0.00 64.86 66.30 2jtc h ILE 125 Cb 1.63 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 2jtc h ILE 125 CO -0.49 0.00 0.85 0.77 0.00 0.00 0.00 178.15 179.28 2jtc h SER 126 N -1.17 0.00 -0.84 1.72 4.64 0.33 1.02 113.55 119.25 2jtc h SER 126 Ca -0.07 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.76 2jtc h SER 126 Cb 0.52 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 62.34 2jtc h SER 126 CO 0.11 0.00 0.45 1.33 -0.87 0.00 0.00 176.83 177.85 2jtc n VAL 127 N -3.51 3.14 -4.45 0.95 0.24 0.63 -4.50 118.33 110.83 2jtc n VAL 127 Ca 0.17 -2.55 -0.40 0.00 -2.04 0.00 0.00 64.34 59.51 2jtc n VAL 127 Cb 1.11 -0.68 -0.07 0.00 -1.47 0.00 0.00 33.84 32.73 2jtc n VAL 127 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2jtc n ASP 128 N -1.05 -1.95 -4.69 -1.34 9.92 0.35 -4.21 116.55 113.58 2jtc n ASP 128 Ca 0.54 -1.19 -0.44 0.00 -0.53 0.00 0.00 54.79 53.17 2jtc n ASP 128 Cb 1.21 -1.90 -0.03 0.00 -0.64 0.00 0.00 41.12 39.77 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 -4.18 2.27 -2.58 -1.24 1.56 0.41 -4.63 117.12 108.73 2jtc n MET 129 Ca 0.07 0.81 -0.43 0.00 -0.27 0.00 0.00 57.70 57.88 2jtc n MET 129 Cb 0.48 -2.52 -0.02 0.00 2.15 0.00 0.00 33.22 33.31 2jtc n MET 129 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 2jtc s ASP 130 N 0.46 7.09 -0.43 6.12 1.01 0.25 -4.87 116.67 126.31 2jtc s ASP 130 Ca 0.69 1.57 -0.12 0.00 0.71 0.00 0.00 52.55 55.40 2jtc s ASP 130 Cb -0.60 -2.55 0.06 0.00 1.01 0.00 0.00 42.92 40.84 2jtc s ASP 130 CO 0.47 -0.62 0.29 -0.31 0.21 0.00 0.00 175.17 175.22 2jtc s TYR 131 N 2.77 3.29 0.00 4.23 2.02 -1.26 -2.36 117.35 126.04 2jtc s TYR 131 Ca 0.50 -1.19 0.00 0.00 -0.37 0.00 0.00 57.07 56.01 2jtc s TYR 131 Cb -0.19 -2.90 0.00 0.00 -0.40 0.00 0.00 41.96 38.47 2jtc s TYR 131 CO 0.14 -0.78 0.00 0.41 -1.57 0.00 0.00 175.55 173.75 2jtc n GLY 132 N 5.03 4.81 0.24 0.71 0.00 -1.26 -4.89 105.19 109.84 2jtc n GLY 132 Ca -0.11 -1.43 0.05 0.00 0.00 0.00 0.00 46.02 44.53 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 0.12 -6.05 1.61 0.13 -1.91 0.14 132.00 126.03 2jtc h PRO 133 Ca 0.00 -0.02 -0.68 0.00 -0.87 0.00 0.00 66.00 64.43 2jtc h PRO 133 Cb 0.00 -0.02 -0.19 0.00 0.13 0.00 0.00 31.00 30.92 2jtc h PRO 133 CO 0.00 0.22 -0.68 -1.12 -0.23 0.00 0.00 178.00 176.18 2jtc s SER 134 N -6.95 4.73 -0.28 1.44 0.01 -1.26 -3.78 113.70 107.60 2jtc s SER 134 Ca -0.05 -0.01 -0.02 0.00 1.31 0.00 0.00 55.95 57.18 2jtc s SER 134 Cb 0.16 -1.26 0.04 0.00 0.21 0.00 0.00 66.02 65.17 2jtc s SER 134 CO 0.70 0.35 -0.02 -0.44 0.41 0.00 0.00 173.24 174.25 2jtc s SER 135 N -0.72 4.68 -0.16 2.44 0.01 -1.26 -4.66 113.70 114.03 2jtc s SER 135 Ca 0.11 -1.04 -0.04 0.00 1.31 0.00 0.00 55.95 56.29 2jtc s SER 135 Cb -0.11 -1.71 -0.03 0.00 0.21 0.00 0.00 66.02 64.37 2jtc s SER 135 CO 0.02 -0.20 -0.01 -0.83 0.41 0.00 0.00 173.24 172.63 2jtc s GLY 136 N 1.31 1.77 0.00 3.44 0.00 -0.99 -3.65 107.32 109.20 2jtc s GLY 136 Ca -0.02 -0.80 0.00 0.00 0.00 0.00 0.00 44.72 43.90 2jtc s GLY 136 CO -0.02 -0.07 0.00 -1.26 0.00 0.00 0.00 173.10 171.75 2jtc n SER 137 N 3.45 1.72 -0.10 1.64 2.88 -1.26 0.86 113.62 122.80 2jtc n SER 137 Ca -0.17 -0.82 -0.21 0.00 -1.33 0.00 0.00 58.87 56.35 2jtc n SER 137 Cb 0.52 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.88 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 0.77 0.00 -1.46 0.00 -1.26 -2.78 120.51 112.77 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 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 18.95 2jtc n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jtc n GLY 139 N 1.44 0.19 0.46 0.00 0.00 -1.26 -2.43 105.19 103.60 2jtc n GLY 139 Ca -0.31 -1.40 -0.15 0.00 0.00 0.00 0.00 46.02 44.17 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 -1.72 -1.14 1.61 0.02 -1.93 1.65 113.55 112.03 2jtc h SER 140 Ca 0.00 0.21 0.32 0.00 -0.84 0.00 0.00 61.79 61.48 2jtc h SER 140 Cb 0.00 0.68 -0.10 0.00 0.14 0.00 0.00 62.40 63.12 2jtc h SER 140 CO 0.00 -0.47 0.75 0.77 -1.14 0.00 0.00 176.83 176.74 2jtc h SER 141 N -0.55 0.33 0.04 3.07 4.64 -1.97 1.34 113.55 120.45 2jtc h SER 141 Ca 0.04 0.09 -0.06 0.00 -0.47 0.00 0.00 61.79 61.39 2jtc h SER 141 Cb 0.67 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 2jtc h SER 141 CO -0.46 0.00 -0.29 0.03 -0.87 0.00 0.00 176.83 175.24 2jtc h ARG 142 N 0.26 0.08 0.62 4.77 2.47 -1.07 -2.87 114.38 118.64 2jtc h ARG 142 Ca 0.65 -0.14 -0.03 0.00 -1.26 0.00 0.00 59.98 59.21 2jtc h ARG 142 Cb 1.91 0.05 0.01 0.00 -1.65 0.00 0.00 29.97 30.29 2jtc h ARG 142 CO -0.29 1.06 -0.30 0.28 0.56 0.00 0.00 179.97 181.29 2jtc h VAL 143 N -0.83 0.12 -0.56 2.04 2.07 0.51 1.24 116.25 120.84 2jtc h VAL 143 Ca -0.06 -0.37 0.10 0.00 0.82 0.00 0.00 66.70 67.18 2jtc h VAL 143 Cb 1.19 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 2jtc h VAL 143 CO 0.03 0.02 0.38 0.06 0.02 0.00 0.00 177.57 178.08 2jtc h GLN 144 N -1.16 0.35 0.06 1.57 -0.00 0.14 1.79 115.11 117.87 2jtc h GLN 144 Ca -0.08 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.65 58.54 2jtc h GLN 144 Cb 0.67 -0.08 0.00 0.00 -0.00 0.00 0.00 27.48 28.07 2jtc h GLN 144 CO 0.14 0.23 -0.03 -0.09 -0.00 0.00 0.00 178.83 179.08 2jtc h ARG 145 N 0.36 -0.08 -0.60 0.06 2.43 -1.35 -3.19 114.38 112.00 2jtc h ARG 145 Ca 0.26 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.37 2jtc h ARG 145 Cb 0.54 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.08 2jtc h ARG 145 CO -0.07 0.46 0.13 0.00 -1.51 0.00 0.00 179.97 178.98 2jtc h ALA 146 N -0.32 1.09 -0.53 2.80 0.00 0.21 0.31 119.26 122.82 2jtc h ALA 146 Ca -0.01 -0.23 0.10 0.00 0.00 0.00 0.00 54.91 54.77 2jtc h ALA 146 Cb 0.58 -0.24 -0.09 0.00 0.00 0.00 0.00 17.79 18.04 2jtc h ALA 146 CO 0.01 0.60 -0.01 -0.07 0.00 0.00 0.00 179.25 179.79 2jtc h LEU 147 N 0.91 -0.25 0.02 0.00 3.38 0.26 -1.17 115.31 118.46 2jtc h LEU 147 Ca 0.19 0.13 -0.29 0.00 0.09 0.00 0.00 57.88 58.01 2jtc h LEU 147 Cb 0.35 0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 2jtc h LEU 147 CO 0.00 -0.09 -1.61 0.11 0.09 0.00 0.00 178.44 176.95 2jtc h LYS 148 N 0.11 0.04 0.13 1.13 1.57 -1.49 0.42 116.57 118.47 2jtc h LYS 148 Ca 0.27 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 2jtc h LYS 148 Cb 0.41 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.75 2jtc h LYS 148 CO -0.45 0.67 -0.06 0.93 -0.57 0.00 0.00 179.45 179.97 2jtc h GLU 149 N 0.01 -0.17 0.05 3.15 5.08 0.01 -2.14 114.58 120.58 2jtc h GLU 149 Ca -0.25 0.01 -0.25 0.00 -1.00 0.00 0.00 59.36 57.87 2jtc h GLU 149 Cb 1.98 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 31.25 2jtc h GLU 149 CO 0.09 -0.11 -1.24 -0.97 -1.00 0.00 0.00 179.01 175.79 2jtc h ASN 150 N -0.50 0.17 0.00 1.42 -0.73 -1.43 -3.35 115.58 111.16 2jtc h ASN 150 Ca -0.02 -0.20 0.00 0.00 1.87 0.00 0.00 56.30 57.95 2jtc h ASN 150 Cb 0.13 -0.05 0.00 0.00 0.27 0.00 0.00 38.32 38.67 2jtc h ASN 150 CO 0.03 1.16 -0.85 0.49 -0.37 0.00 0.00 177.43 177.89 2jtc n PHE 151 N -3.37 0.00 -3.56 0.67 3.72 -0.96 -0.97 117.46 112.99 2jtc n PHE 151 Ca -0.07 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.08 2jtc n PHE 151 Cb 0.99 -0.01 0.06 0.00 -0.94 0.00 0.00 39.48 39.58 2jtc n PHE 151 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jtc n GLY 152 N 1.41 -0.54 3.67 1.37 0.00 -0.36 -4.60 105.19 106.15 2jtc n GLY 152 Ca 0.03 0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 2jtc n GLY 152 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jtc s TYR 153 N -3.29 1.83 0.49 1.61 1.51 0.13 -4.85 117.35 114.79 2jtc s TYR 153 Ca 0.56 1.60 -0.20 0.00 -1.01 0.00 0.00 57.07 58.01 2jtc s TYR 153 Cb -0.25 -3.23 -0.11 0.00 -0.11 0.00 0.00 41.96 38.26 2jtc s TYR 153 CO 0.69 -2.75 0.49 -1.71 -1.11 0.00 0.00 175.55 171.16 2jtc n ASN 154 N -4.18 -1.15 0.27 2.29 5.15 0.47 -4.60 115.26 113.51 2jtc n ASN 154 Ca 0.09 0.81 0.13 0.00 -0.60 0.00 0.00 54.58 55.01 2jtc n ASN 154 Cb 0.53 -1.12 0.68 0.00 -0.53 0.00 0.00 39.78 39.34 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 0.51 0.00 0.00 1.20 1.08 -1.89 -0.38 115.11 115.63 2jtc h GLN 155 Ca -0.43 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.77 2jtc h GLN 155 Cb 1.40 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.83 2jtc h GLN 155 CO 0.49 0.00 0.08 -1.13 -0.95 0.00 0.00 178.83 177.32 2jtc n SER 156 N -2.59 0.20 -4.67 1.46 3.41 -1.26 -4.54 113.62 105.63 2jtc n SER 156 Ca -0.02 0.54 -0.42 0.00 -0.26 0.00 0.00 58.87 58.71 2jtc n SER 156 Cb 0.31 -0.55 -0.03 0.00 -0.26 0.00 0.00 64.21 63.69 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 -3.11 3.87 0.36 -3.33 1.01 -0.16 -4.32 120.40 114.72 2jtc s VAL 157 Ca -0.01 1.11 -0.02 0.00 0.00 0.00 0.00 61.98 63.06 2jtc s VAL 157 Cb 0.02 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.69 2jtc s VAL 157 CO 0.07 -0.07 0.51 -1.38 0.00 0.00 0.00 175.10 174.23 2jtc s HIS 158 N 3.39 1.09 -0.03 5.22 -3.43 -1.17 -4.95 115.29 115.41 2jtc s HIS 158 Ca 0.64 -1.33 0.06 0.00 -0.80 0.00 0.00 55.06 53.63 2jtc s HIS 158 Cb -0.29 -0.04 -0.01 0.00 -1.43 0.00 0.00 32.58 30.81 2jtc s HIS 158 CO 0.23 -1.20 -0.21 -1.14 -2.00 0.00 0.00 174.74 170.43 2jtc s GLN 159 N -2.85 1.83 0.15 -0.38 0.74 -1.26 -2.57 119.66 115.31 2jtc s GLN 159 Ca 0.30 -0.74 0.10 0.00 0.05 0.00 0.00 55.36 55.07 2jtc s GLN 159 Cb -0.01 -1.69 -0.04 0.00 1.10 0.00 0.00 33.01 32.37 2jtc s GLN 159 CO 0.21 0.40 -0.22 0.96 -0.55 0.00 0.00 175.29 176.09 2jtc s ILE 160 N -0.34 1.99 -0.41 -2.34 -4.36 0.30 -4.88 121.20 111.16 2jtc s ILE 160 Ca 0.04 -1.80 -0.06 0.00 -0.26 0.00 0.00 60.65 58.57 2jtc s ILE 160 Cb -0.10 -1.85 0.09 0.00 1.25 0.00 0.00 42.46 41.86 2jtc s ILE 160 CO 0.00 -0.11 0.22 0.20 0.24 0.00 0.00 174.94 175.49 2jtc s ASN 161 N -2.32 5.42 0.40 4.36 0.01 -1.26 0.19 114.94 121.75 2jtc s ASN 161 Ca 0.14 -1.71 0.20 0.00 -0.71 0.00 0.00 52.86 50.78 2jtc s ASN 161 Cb -0.08 -1.90 1.15 0.00 0.41 0.00 0.00 41.25 40.82 2jtc s ASN 161 CO 0.06 -0.53 1.75 -0.09 -1.51 0.00 0.00 177.10 176.78 2jtc h ARG 162 N 8.24 0.34 0.00 -0.60 9.65 -0.49 0.94 114.38 132.45 2jtc h ARG 162 Ca -0.19 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.66 2jtc h ARG 162 Cb 1.07 -0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 29.57 2jtc h ARG 162 CO 0.72 0.22 -0.06 0.78 2.80 0.00 0.00 179.97 184.43 2jtc h GLY 163 N 0.35 0.00 -1.87 2.80 0.00 -1.90 -2.33 103.07 100.12 2jtc h GLY 163 Ca 0.63 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.96 2jtc h GLY 163 CO -0.33 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.43 2jtc n ASP 164 N -3.97 3.09 -4.53 0.19 9.92 0.32 -4.98 116.55 116.59 2jtc n ASP 164 Ca -0.03 -1.90 -0.24 0.00 -0.53 0.00 0.00 54.79 52.09 2jtc n ASP 164 Cb 0.15 -0.19 -0.09 0.00 -0.64 0.00 0.00 41.12 40.35 2jtc n ASP 164 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2jtc s PHE 165 N -1.32 2.41 -0.04 1.24 0.40 -0.88 -5.00 117.98 114.79 2jtc s PHE 165 Ca 0.31 -0.34 -0.23 0.00 -0.60 0.00 0.00 56.93 56.07 2jtc s PHE 165 Cb 0.18 -1.14 -0.04 0.00 0.51 0.00 0.00 43.02 42.53 2jtc s PHE 165 CO 0.26 0.66 0.68 -1.54 0.70 0.00 0.00 175.22 175.97 2jtc s SER 166 N -3.58 7.00 0.21 1.36 1.04 -1.26 -4.83 113.70 113.65 2jtc s SER 166 Ca 0.31 1.20 0.05 0.00 0.48 0.00 0.00 55.95 58.00 2jtc s SER 166 Cb -0.04 -2.40 0.61 0.00 0.10 0.00 0.00 66.02 64.29 2jtc s SER 166 CO 0.17 -0.04 1.00 1.17 0.98 0.00 0.00 173.24 176.52 2jtc n LYS 167 N 3.41 -0.05 0.27 4.02 4.81 -1.26 0.52 118.16 129.88 2jtc n LYS 167 Ca -0.03 0.93 -0.11 0.00 -0.87 0.00 0.00 58.31 58.24 2jtc n LYS 167 Cb 0.51 -1.54 -0.05 0.00 0.02 0.00 0.00 35.03 33.97 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 -0.68 0.00 1.64 7.50 -1.99 -0.62 115.11 120.96 2jtc h GLN 168 Ca 0.44 0.05 0.00 0.00 0.50 0.00 0.00 58.65 59.64 2jtc h GLN 168 Cb 1.01 0.15 0.00 0.00 0.05 0.00 0.00 27.48 28.70 2jtc h GLN 168 CO -0.56 -0.45 0.00 -0.44 -1.50 0.00 0.00 178.83 175.87 2jtc h ASP 169 N -0.82 0.00 0.01 1.46 3.32 -1.11 -1.60 116.42 117.68 2jtc h ASP 169 Ca -0.07 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.92 2jtc h ASP 169 Cb 0.54 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.10 2jtc h ASP 169 CO 0.12 0.00 -0.23 -0.25 -1.72 0.00 0.00 179.24 177.15 2jtc h TRP 170 N 0.00 0.23 0.00 4.55 2.91 0.39 -3.01 115.95 121.02 2jtc h TRP 170 Ca 0.00 -0.13 -0.02 0.00 1.13 0.00 0.00 58.89 59.87 2jtc h TRP 170 Cb 0.10 -0.02 -0.00 0.00 -0.51 0.00 0.00 29.16 28.73 2jtc h TRP 170 CO 0.00 0.95 -0.11 0.93 -1.03 0.00 0.00 178.44 179.18 2jtc h GLU 171 N -0.56 0.00 -0.60 2.65 5.08 -0.51 -2.29 114.58 118.34 2jtc h GLU 171 Ca -0.03 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 2jtc h GLU 171 Cb 1.02 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.24 2jtc h GLU 171 CO 0.05 0.11 0.18 0.00 -1.00 0.00 0.00 179.01 178.35 2jtc h ALA 172 N 1.89 0.79 -0.59 3.43 0.00 -1.24 0.94 119.26 124.49 2jtc h ALA 172 Ca -0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2jtc h ALA 172 Cb 0.47 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2jtc h ALA 172 CO 0.01 0.46 0.33 1.96 0.00 0.00 0.00 179.25 182.02 2jtc h GLN 173 N 0.86 0.80 0.12 0.00 1.08 -1.28 -0.76 115.11 115.93 2jtc h GLN 173 Ca 0.19 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.31 2jtc h GLN 173 Cb 0.29 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 2jtc h GLN 173 CO -0.01 0.58 -0.06 0.82 -0.95 0.00 0.00 178.83 179.22 2jtc h ILE 174 N 0.81 0.00 -0.93 2.54 2.04 -1.31 -3.04 117.51 117.62 2jtc h ILE 174 Ca 0.21 -0.26 0.23 0.00 1.00 0.00 0.00 64.86 66.04 2jtc h ILE 174 Cb 0.00 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 35.96 2jtc h ILE 174 CO -0.04 0.00 0.47 -0.78 0.00 0.00 0.00 178.15 177.80 2jtc h ASP 175 N -0.42 0.46 -0.54 1.72 1.82 -0.86 0.77 116.42 119.37 2jtc h ASP 175 Ca -0.02 0.15 0.10 0.00 -0.39 0.00 0.00 57.03 56.87 2jtc h ASP 175 Cb 0.12 0.09 -0.08 0.00 0.68 0.00 0.00 39.33 40.15 2jtc h ASP 175 CO 0.03 0.04 0.09 0.50 -1.61 0.00 0.00 179.24 178.28 2jtc h LYS 176 N 0.47 0.21 -0.45 0.28 3.64 -1.23 2.57 116.57 122.06 2jtc h LYS 176 Ca 0.59 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.95 2jtc h LYS 176 Cb 1.11 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.86 2jtc h LYS 176 CO -0.51 0.14 0.27 0.93 -2.27 0.00 0.00 179.45 178.01 2jtc h GLU 177 N 0.21 0.62 -0.02 1.90 4.39 0.55 -2.14 114.58 120.09 2jtc h GLU 177 Ca 0.28 -0.06 -0.09 0.00 0.34 0.00 0.00 59.36 59.83 2jtc h GLU 177 Cb 0.40 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 2jtc h GLU 177 CO -0.38 0.46 -0.41 -0.07 -1.16 0.00 0.00 179.01 177.45 2jtc h LEU 178 N 0.60 0.03 -1.41 1.33 3.38 0.20 0.26 115.31 119.70 2jtc h LEU 178 Ca 0.16 -0.01 0.18 0.00 0.09 0.00 0.00 57.88 58.30 2jtc h LEU 178 Cb 0.01 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.68 2jtc h LEU 178 CO -0.03 0.44 0.59 0.77 0.09 0.00 0.00 178.44 180.30 2jtc h SER 179 N 0.03 0.50 -0.89 -0.43 4.64 0.50 0.77 113.55 118.66 2jtc h SER 179 Ca -0.00 0.05 -0.43 0.00 -0.47 0.00 0.00 61.79 60.94 2jtc h SER 179 Cb 0.74 -0.05 -0.26 0.00 -0.31 0.00 0.00 62.40 62.52 2jtc h SER 179 CO 0.05 0.22 0.52 0.00 -0.87 0.00 0.00 176.83 176.75 2jtc n GLN 180 N -4.55 2.52 -3.89 4.77 6.02 -1.06 -4.89 117.38 116.30 2jtc n GLN 180 Ca 0.19 -3.04 -0.25 0.00 -0.01 0.00 0.00 57.00 53.89 2jtc n GLN 180 Cb 0.62 -2.16 -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 -0.95 -0.78 -3.99 1.08 3.02 0.27 -4.93 115.26 108.98 2jtc n ASN 181 Ca 0.54 -0.98 -0.31 0.00 -0.03 0.00 0.00 54.58 53.80 2jtc n ASN 181 Cb 1.57 -3.23 -0.15 0.00 -0.61 0.00 0.00 39.78 37.35 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 -6.42 1.90 1.02 3.52 -0.21 0.89 -4.96 119.66 115.40 2jtc s GLN 182 Ca 0.03 -1.07 -0.12 0.00 0.02 0.00 0.00 55.36 54.23 2jtc s GLN 182 Cb -0.01 -2.65 0.20 0.00 1.00 0.00 0.00 33.01 31.55 2jtc s GLN 182 CO 0.87 -0.55 1.08 -1.25 -2.12 0.00 0.00 175.29 173.32 2jtc s PRO 183 N 1.31 0.21 -0.04 2.91 0.04 -1.25 -2.69 135.00 135.48 2jtc s PRO 183 Ca -0.06 0.95 0.05 0.00 0.04 0.00 0.00 61.00 61.99 2jtc s PRO 183 Cb -0.19 -1.68 -0.01 0.00 0.04 0.00 0.00 34.50 32.67 2jtc s PRO 183 CO -0.06 -3.00 -0.20 0.08 0.04 0.00 0.00 177.00 173.86 2jtc s VAL 184 N -2.68 1.67 -0.28 -0.36 1.01 0.54 -4.49 120.40 115.82 2jtc s VAL 184 Ca 0.66 -0.87 -0.24 0.00 0.00 0.00 0.00 61.98 61.53 2jtc s VAL 184 Cb -0.22 -1.41 -0.00 0.00 0.00 0.00 0.00 36.38 34.75 2jtc s VAL 184 CO 0.60 0.47 0.83 -0.47 0.00 0.00 0.00 175.10 176.54 2jtc s TYR 185 N -0.18 3.24 0.23 5.22 6.14 -0.17 -0.73 117.35 131.10 2jtc s TYR 185 Ca -0.00 0.98 0.10 0.00 0.64 0.00 0.00 57.07 58.79 2jtc s TYR 185 Cb -0.11 -3.18 -0.05 0.00 0.42 0.00 0.00 41.96 39.04 2jtc s TYR 185 CO 0.02 -0.51 -0.19 -0.47 0.64 0.00 0.00 175.55 175.04 2jtc s TYR 186 N 2.96 2.07 -0.28 4.97 6.14 0.29 0.70 117.35 134.19 2jtc s TYR 186 Ca 0.34 -0.42 -0.22 0.00 0.64 0.00 0.00 57.07 57.42 2jtc s TYR 186 Cb -0.14 -0.95 0.12 0.00 0.42 0.00 0.00 41.96 41.40 2jtc s TYR 186 CO 0.10 0.53 0.98 1.14 0.64 0.00 0.00 175.55 178.94 2jtc s GLN 187 N -3.27 0.50 -0.37 4.97 -2.07 -1.05 0.28 119.66 118.65 2jtc s GLN 187 Ca 0.24 0.68 -0.09 0.00 -1.82 0.00 0.00 55.36 54.37 2jtc s GLN 187 Cb -0.05 0.20 0.04 0.00 -1.09 0.00 0.00 33.01 32.12 2jtc s GLN 187 CO 0.11 -0.07 0.18 0.20 -1.32 0.00 0.00 175.29 174.39 2jtc s GLY 188 N 0.62 1.91 0.66 2.60 0.00 0.23 -2.22 107.32 111.12 2jtc s GLY 188 Ca -0.01 -1.82 -0.11 0.00 0.00 0.00 0.00 44.72 42.78 2jtc s GLY 188 CO -0.09 0.85 1.05 0.14 0.00 0.00 0.00 173.10 175.05 2jtc s VAL 189 N 1.47 4.33 0.00 1.40 1.01 0.43 -2.61 120.40 126.43 2jtc s VAL 189 Ca 0.01 0.76 0.00 0.00 0.00 0.00 0.00 61.98 62.75 2jtc s VAL 189 Cb -0.20 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.50 2jtc s VAL 189 CO 0.04 -0.99 0.00 0.61 0.00 0.00 0.00 175.10 174.76 2jtc n GLY 190 N -2.57 2.90 0.08 4.51 0.00 -0.99 0.26 105.19 109.38 2jtc n GLY 190 Ca 0.07 0.07 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.04 1.61 1.57 -1.73 -3.37 116.57 114.62 2jtc h LYS 191 Ca 0.00 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 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 0.39 0.06 -0.39 -0.57 0.00 0.00 179.45 178.93 2jtc h VAL 192 N -1.00 0.37 0.00 0.50 -1.51 -1.93 -3.47 116.25 109.22 2jtc h VAL 192 Ca -0.11 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.36 2jtc h VAL 192 Cb 0.73 0.95 0.00 0.00 -2.13 0.00 0.00 31.29 30.85 2jtc h VAL 192 CO -0.07 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.88 2jtc n GLY 193 N -1.28 0.94 3.53 5.19 0.00 -1.26 -4.72 105.19 107.60 2jtc n GLY 193 Ca -0.02 -1.93 -0.43 0.00 0.00 0.00 0.00 46.02 43.64 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 1.39 -0.01 -0.02 0.00 -1.02 -2.33 107.32 105.33 2jtc s GLY 194 Ca 0.00 -1.15 -0.30 0.00 0.00 0.00 0.00 44.72 43.26 2jtc s GLY 194 CO 0.00 2.09 1.34 -1.58 0.00 0.00 0.00 173.10 174.95 2jtc s HIS 195 N 4.02 2.96 0.33 1.90 2.46 -1.07 -4.39 115.29 121.49 2jtc s HIS 195 Ca 0.32 0.94 0.10 0.00 0.47 0.00 0.00 55.06 56.89 2jtc s HIS 195 Cb -0.12 -3.59 -0.06 0.00 -0.13 0.00 0.00 32.58 28.69 2jtc s HIS 195 CO 0.20 -2.10 -0.04 0.00 -2.47 0.00 0.00 174.74 170.33 2jtc s ALA 196 N 2.31 3.08 0.28 1.58 0.00 -1.26 -0.60 121.76 127.15 2jtc s ALA 196 Ca 0.61 -1.96 -0.20 0.00 0.00 0.00 0.00 51.96 50.41 2jtc s ALA 196 Cb -0.29 -0.30 0.02 0.00 0.00 0.00 0.00 23.12 22.54 2jtc s ALA 196 CO 0.25 0.11 0.71 -0.59 0.00 0.00 0.00 175.76 176.24 2jtc s PHE 197 N -2.53 -0.15 -0.08 0.00 -0.71 0.14 -3.77 117.98 110.89 2jtc s PHE 197 Ca 0.33 -0.31 0.02 0.00 -1.04 0.00 0.00 56.93 55.94 2jtc s PHE 197 Cb -0.00 0.68 -0.02 0.00 -1.21 0.00 0.00 43.02 42.46 2jtc s PHE 197 CO 0.18 -1.23 -0.15 0.08 -1.34 0.00 0.00 175.22 172.76 2jtc s VAL 198 N -3.90 2.96 -0.20 -2.49 1.01 -1.15 -0.55 120.40 116.08 2jtc s VAL 198 Ca 0.12 -0.73 -0.12 0.00 0.00 0.00 0.00 61.98 61.24 2jtc s VAL 198 Cb -0.06 -2.19 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 2jtc s VAL 198 CO 0.07 0.56 0.24 -0.63 0.00 0.00 0.00 175.10 175.35 2jtc s ILE 199 N -0.23 5.32 -0.10 2.22 1.01 0.09 0.32 121.20 129.83 2jtc s ILE 199 Ca 0.01 0.40 0.25 0.00 0.00 0.00 0.00 60.65 61.30 2jtc s ILE 199 Cb -0.13 -3.58 0.45 0.00 0.01 0.00 0.00 42.46 39.21 2jtc s ILE 199 CO 0.03 0.36 1.15 -0.90 0.00 0.00 0.00 174.94 175.58 2jtc n ASP 200 N 3.96 1.17 0.00 3.58 5.68 0.32 -0.34 116.55 130.93 2jtc n ASP 200 Ca -0.13 -2.01 0.00 0.00 -0.50 0.00 0.00 54.79 52.15 2jtc n ASP 200 Cb 0.52 -0.35 0.00 0.00 -1.14 0.00 0.00 41.12 40.14 2jtc n ASP 200 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jtc n GLY 201 N 0.09 -1.55 3.51 6.12 0.00 -1.22 0.31 105.19 112.45 2jtc n GLY 201 Ca 0.06 -1.05 -0.16 0.00 0.00 0.00 0.00 46.02 44.87 2jtc n GLY 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jtc s ALA 202 N -1.55 -1.76 -0.41 4.61 0.00 0.42 -0.71 121.76 122.36 2jtc s ALA 202 Ca 0.00 1.19 0.12 0.00 0.00 0.00 0.00 51.96 53.27 2jtc s ALA 202 Cb 0.00 0.09 0.32 0.00 0.00 0.00 0.00 23.12 23.54 2jtc s ALA 202 CO 0.00 -0.45 1.25 -3.47 0.00 0.00 0.00 175.76 173.09 2jtc n ASP 203 N 0.61 2.99 0.00 0.00 -0.08 -0.22 0.13 116.55 119.98 2jtc n ASP 203 Ca -0.17 -2.48 0.00 0.00 -1.51 0.00 0.00 54.79 50.63 2jtc n ASP 203 Cb 0.59 -0.32 0.00 0.00 2.34 0.00 0.00 41.12 43.73 2jtc n ASP 203 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2jtc n GLY 204 N -0.27 1.49 2.36 0.27 0.00 -1.25 -4.83 105.19 102.95 2jtc n GLY 204 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.00 1.74 -2.24 1.61 1.74 -1.26 -4.38 116.66 111.87 2jtc n ARG 205 Ca 0.00 -4.07 0.00 0.00 -0.77 0.00 0.00 57.85 53.01 2jtc n ARG 205 Cb 0.00 -1.85 0.00 0.00 -1.02 0.00 0.00 32.46 29.59 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 1.18 -0.84 -4.18 0.55 3.02 -1.26 -4.85 115.26 108.88 2jtc n ASN 206 Ca 0.26 0.42 -0.31 0.00 -0.03 0.00 0.00 54.58 54.92 2jtc n ASN 206 Cb 0.45 -0.90 -0.17 0.00 -0.61 0.00 0.00 39.78 38.55 2jtc n ASN 206 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2jtc s PHE 207 N -1.80 2.46 0.42 3.10 0.08 -1.26 -4.93 117.98 116.05 2jtc s PHE 207 Ca 0.00 -1.07 0.07 0.00 0.12 0.00 0.00 56.93 56.05 2jtc s PHE 207 Cb 0.00 -1.66 -0.03 0.00 -0.57 0.00 0.00 43.02 40.76 2jtc s PHE 207 CO 0.00 -0.46 0.32 0.71 -0.10 0.00 0.00 175.22 175.69 2jtc s TYR 208 N 0.53 2.64 -0.34 0.36 2.02 -1.26 -1.05 117.35 120.24 2jtc s TYR 208 Ca -0.15 -0.53 -0.20 0.00 -0.37 0.00 0.00 57.07 55.82 2jtc s TYR 208 Cb -0.17 -2.10 -0.00 0.00 -0.40 0.00 0.00 41.96 39.29 2jtc s TYR 208 CO 0.05 -0.05 0.60 -1.58 -1.57 0.00 0.00 175.55 173.00 2jtc s HIS 209 N -2.52 3.17 -0.01 2.71 2.46 0.12 -1.91 115.29 119.30 2jtc s HIS 209 Ca 0.46 0.35 0.04 0.00 0.47 0.00 0.00 55.06 56.37 2jtc s HIS 209 Cb -0.01 -3.05 -0.03 0.00 -0.13 0.00 0.00 32.58 29.36 2jtc s HIS 209 CO 0.26 -0.57 -0.11 0.08 -2.47 0.00 0.00 174.74 171.93 2jtc s VAL 210 N 2.60 3.31 -0.89 0.89 1.01 -0.01 0.12 120.40 127.43 2jtc s VAL 210 Ca 0.23 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.38 2jtc s VAL 210 Cb -0.15 -2.39 0.23 0.00 0.00 0.00 0.00 36.38 34.08 2jtc s VAL 210 CO 0.14 0.46 0.84 -3.20 0.00 0.00 0.00 175.10 173.34 2jtc n ASN 211 N 1.82 4.35 -4.17 3.32 2.85 0.15 -2.78 115.26 120.81 2jtc n ASN 211 Ca -0.16 -3.19 -0.35 0.00 -0.11 0.00 0.00 54.58 50.77 2jtc n ASN 211 Cb 0.52 -1.04 0.10 0.00 1.24 0.00 0.00 39.78 40.61 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 2.08 -1.76 0.05 1.20 7.02 -1.26 -2.95 117.44 121.82 2jtc n TRP 212 Ca 0.23 0.32 -0.07 0.00 -1.02 0.00 0.00 57.50 56.95 2jtc n TRP 212 Cb 0.37 -1.51 0.10 0.00 -2.42 0.00 0.00 31.31 27.85 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 2.87 0.00 6.99 0.00 -1.25 -4.85 105.19 111.59 2jtc n GLY 213 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.11 -0.12 0.00 1.61 7.02 -1.26 -4.81 117.44 119.77 2jtc n TRP 214 Ca 0.23 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.71 2jtc n TRP 214 Cb 0.94 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.83 2jtc n TRP 214 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2jtc n GLY 215 N 5.00 1.43 2.50 6.99 0.00 -1.26 -4.84 105.19 115.01 2jtc n GLY 215 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 4.46 0.00 -0.02 0.00 -1.26 -4.89 105.19 106.62 2jtc n GLY 216 Ca 0.00 -2.31 0.00 0.00 0.00 0.00 0.00 46.02 43.71 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 0.45 0.00 0.08 1.61 3.14 -1.26 -4.75 118.33 117.59 2jtc n VAL 217 Ca 0.28 0.00 0.04 0.00 -2.96 0.00 0.00 64.34 61.69 2jtc n VAL 217 Cb 0.48 0.00 0.21 0.00 -1.06 0.00 0.00 33.84 33.47 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 3.36 -4.66 6.55 7.64 -1.26 -4.93 113.62 120.31 2jtc n SER 218 Ca 0.00 -2.44 -0.48 0.00 1.01 0.00 0.00 58.87 56.96 2jtc n SER 218 Cb 0.00 -0.57 -0.05 0.00 -1.01 0.00 0.00 64.21 62.59 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 0.36 2.92 0.00 6.43 -0.08 -1.26 -4.26 116.55 120.65 2jtc n ASP 219 Ca 0.14 1.06 0.00 0.00 -1.51 0.00 0.00 54.79 54.48 2jtc n ASP 219 Cb 0.71 -1.36 0.00 0.00 2.34 0.00 0.00 41.12 42.81 2jtc n ASP 219 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2jtc n GLY 220 N 3.57 -0.71 3.93 0.27 0.00 -1.12 -5.02 105.19 106.12 2jtc n GLY 220 Ca 0.19 0.27 -0.20 0.00 0.00 0.00 0.00 46.02 46.28 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 3.15 0.71 1.61 -0.71 -1.26 -0.83 117.98 120.65 2jtc s PHE 221 Ca 0.00 -0.17 -0.01 0.00 -1.04 0.00 0.00 56.93 55.71 2jtc s PHE 221 Cb 0.00 -1.77 0.12 0.00 -1.21 0.00 0.00 43.02 40.15 2jtc s PHE 221 CO 0.00 0.21 0.98 -0.59 -1.34 0.00 0.00 175.22 174.48 2jtc s PHE 222 N -2.15 1.77 0.16 3.49 -0.71 -0.80 -4.54 117.98 115.20 2jtc s PHE 222 Ca 0.40 -0.21 0.09 0.00 -1.04 0.00 0.00 56.93 56.16 2jtc s PHE 222 Cb -0.08 -2.99 -0.04 0.00 -1.21 0.00 0.00 43.02 38.70 2jtc s PHE 222 CO 0.29 -1.62 -0.11 1.03 -1.34 0.00 0.00 175.22 173.46 2jtc s ARG 223 N -5.12 2.02 -0.01 1.99 3.00 -1.26 -4.76 118.95 114.80 2jtc s ARG 223 Ca 0.65 -1.24 0.04 0.00 0.00 0.00 0.00 55.73 55.18 2jtc s ARG 223 Cb -0.06 -2.16 -0.05 0.00 0.00 0.00 0.00 34.95 32.68 2jtc s ARG 223 CO 0.44 0.45 0.06 1.47 0.00 0.00 0.00 175.30 177.72 2jtc n LEU 224 N 0.21 0.00 -0.01 2.53 -0.00 -1.26 -4.74 117.00 113.73 2jtc n LEU 224 Ca -0.12 0.00 -0.00 0.00 -0.00 0.00 0.00 56.01 55.89 2jtc n LEU 224 Cb 0.55 0.02 -0.02 0.00 -0.00 0.00 0.00 43.42 43.96 2jtc n LEU 224 CO 0.34 0.02 -0.57 -0.67 -0.00 0.00 0.00 177.39 176.51 2jtc n ASP 225 N -1.75 4.28 -3.86 1.45 -0.08 -1.26 -4.86 116.55 110.48 2jtc n ASP 225 Ca -0.02 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 52.97 2jtc n ASP 225 Cb 0.22 0.82 -0.13 0.00 2.34 0.00 0.00 41.12 44.37 2jtc n ASP 225 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2jtc s ALA 226 N -2.14 3.13 -0.49 -1.67 0.00 -1.26 -4.95 121.76 114.38 2jtc s ALA 226 Ca -0.01 -3.27 -0.03 0.00 0.00 0.00 0.00 51.96 48.64 2jtc s ALA 226 Cb 0.01 -2.08 0.11 0.00 0.00 0.00 0.00 23.12 21.17 2jtc s ALA 226 CO 0.12 -2.05 2.62 -0.11 0.00 0.00 0.00 175.76 176.34 2jtc n LEU 227 N 2.82 6.61 -4.61 0.00 -0.00 -1.26 -4.63 117.00 115.93 2jtc n LEU 227 Ca 0.12 -4.09 -0.24 0.00 -0.00 0.00 0.00 56.01 51.80 2jtc n LEU 227 Cb 0.34 -1.20 -0.08 0.00 -0.00 0.00 0.00 43.42 42.48 2jtc n LEU 227 CO 0.28 1.69 -0.33 0.20 -0.00 0.00 0.00 177.39 179.23 2jtc s ASN 228 N 0.14 4.18 -0.02 1.96 0.01 -1.26 -4.60 114.94 115.35 2jtc s ASN 228 Ca 0.56 -0.93 -0.30 0.00 -0.71 0.00 0.00 52.86 51.48 2jtc s ASN 228 Cb 0.38 -0.56 -0.03 0.00 0.41 0.00 0.00 41.25 41.45 2jtc s ASN 228 CO -0.22 -0.16 1.06 -2.16 -1.51 0.00 0.00 177.10 174.11 2jtc s PRO 229 N -3.68 4.47 0.18 -0.60 0.04 -1.26 -4.95 135.00 129.20 2jtc s PRO 229 Ca 0.34 1.52 -0.13 0.00 0.04 0.00 0.00 61.00 62.76 2jtc s PRO 229 Cb -0.02 -3.47 0.12 0.00 0.04 0.00 0.00 34.50 31.17 2jtc s PRO 229 CO 0.19 -0.21 1.80 1.03 0.04 0.00 0.00 177.00 179.85 2jtc h SER 230 N 6.96 0.42 -2.56 6.66 0.87 -1.99 -3.29 113.55 120.62 2jtc h SER 230 Ca -0.38 0.02 -0.71 0.00 -1.23 0.00 0.00 61.79 59.49 2jtc h SER 230 Cb 1.19 -0.06 -0.19 0.00 -0.44 0.00 0.00 62.40 62.90 2jtc h SER 230 CO 0.80 0.29 0.82 0.00 -0.53 0.00 0.00 176.83 178.22 2jtc s ALA 231 N -6.13 3.58 1.03 6.23 0.00 -1.26 -5.02 121.76 120.19 2jtc s ALA 231 Ca -0.13 -2.95 -0.03 0.00 0.00 0.00 0.00 51.96 48.85 2jtc s ALA 231 Cb 0.13 -3.99 0.04 0.00 0.00 0.00 0.00 23.12 19.30 2jtc s ALA 231 CO 0.74 -2.85 0.15 1.28 0.00 0.00 0.00 175.76 175.07 2jtc n LEU 232 N 6.02 0.00 -1.03 0.00 4.77 -1.24 -4.79 117.00 120.72 2jtc n LEU 232 Ca 0.25 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 2jtc n LEU 232 Cb 0.48 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 2jtc n LEU 232 CO 0.50 -1.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.11 2jtc n GLY 233 N 1.95 0.73 0.00 -0.72 0.00 -1.26 -5.08 105.19 100.82 2jtc n GLY 233 Ca 0.02 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.61 2jtc n GLY 233 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jtc n THR 234 N -0.96 0.00 0.00 2.61 -2.24 -1.26 -5.09 114.28 107.34 2jtc n THR 234 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2jtc n THR 234 Cb 0.34 -0.57 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 2jtc n THR 234 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jtc n GLY 235 N 3.14 0.48 0.10 3.38 0.00 -1.26 -4.96 105.19 106.08 2jtc n GLY 235 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 2jtc n GLY 235 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jtc n GLY 236 N 5.00 2.88 1.00 -0.02 0.00 -1.26 -4.68 105.19 108.11 2jtc n GLY 236 Ca 0.00 -0.51 0.02 0.00 0.00 0.00 0.00 46.02 45.53 2jtc n GLY 236 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jtc n GLY 237 N -0.80 4.53 3.24 -0.02 0.00 -1.26 -4.99 105.19 105.89 2jtc n GLY 237 Ca 0.07 -1.14 -0.33 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.88 -4.33 0.00 4.61 0.00 -1.26 -4.06 120.51 114.58 2jtc n ALA 238 Ca 0.28 -1.26 0.00 0.00 0.00 0.00 0.00 53.44 52.46 2jtc n ALA 238 Cb 0.96 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.99 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 2.23 -1.73 3.06 0.00 0.00 -1.26 -4.94 105.19 102.55 2jtc n GLY 239 Ca 0.01 -1.27 -0.00 0.00 0.00 0.00 0.00 46.02 44.75 2jtc n GLY 239 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jtc n GLY 240 N -0.28 -1.03 1.61 -0.02 0.00 -1.26 -4.63 105.19 99.57 2jtc n GLY 240 Ca 0.00 0.17 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 2jtc n GLY 240 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2jtc n PHE 241 N 1.40 1.90 -3.08 1.61 -0.00 -1.26 -3.91 117.46 114.11 2jtc n PHE 241 Ca -0.02 -1.79 -0.19 0.00 -0.00 0.00 0.00 57.45 55.45 2jtc n PHE 241 Cb 0.34 -0.69 -0.03 0.00 -0.00 0.00 0.00 39.48 39.11 2jtc n PHE 241 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 2jtc n ASN 242 N -1.11 1.59 0.05 -2.13 4.05 -0.77 -4.07 115.26 112.87 2jtc n ASN 242 Ca 0.44 -3.11 -0.22 0.00 0.45 0.00 0.00 54.58 52.14 2jtc n ASN 242 Cb 1.22 -0.60 -0.14 0.00 1.23 0.00 0.00 39.78 41.49 2jtc n ASN 242 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 177.26 175.44 2jtc h GLY 243 N 2.99 0.38 -6.84 8.20 0.00 0.32 -3.43 103.07 104.69 2jtc h GLY 243 Ca 0.09 -0.98 -0.58 0.00 0.00 0.00 0.00 47.33 45.86 2jtc h GLY 243 CO 0.56 0.86 -0.79 -0.47 0.00 0.00 0.00 176.54 176.70 2jtc s TYR 244 N -2.52 1.16 -0.17 5.60 5.04 -1.07 -4.92 117.35 120.46 2jtc s TYR 244 Ca -0.17 -1.70 -0.18 0.00 -2.44 0.00 0.00 57.07 52.58 2jtc s TYR 244 Cb 0.04 -1.32 -0.04 0.00 0.35 0.00 0.00 41.96 41.00 2jtc s TYR 244 CO 0.82 -0.83 0.51 -1.14 -1.34 0.00 0.00 175.55 173.57 2jtc s GLN 245 N 1.22 4.25 0.25 4.97 0.74 -1.26 -0.43 119.66 129.39 2jtc s GLN 245 Ca 0.14 0.44 -0.13 0.00 0.05 0.00 0.00 55.36 55.87 2jtc s GLN 245 Cb -0.21 -3.51 -0.01 0.00 1.10 0.00 0.00 33.01 30.39 2jtc s GLN 245 CO -0.12 -0.03 0.47 -1.54 -0.55 0.00 0.00 175.29 173.52 2jtc s SER 246 N 0.94 -0.09 0.01 6.67 1.04 -0.94 0.26 113.70 121.59 2jtc s SER 246 Ca 0.25 -0.93 -0.01 0.00 0.48 0.00 0.00 55.95 55.73 2jtc s SER 246 Cb -0.15 0.58 -0.01 0.00 0.10 0.00 0.00 66.02 66.54 2jtc s SER 246 CO 0.10 -1.13 0.01 0.00 0.98 0.00 0.00 173.24 173.20 2jtc s ALA 247 N -4.02 -0.01 -0.27 5.32 0.00 0.50 -2.54 121.76 120.74 2jtc s ALA 247 Ca 0.23 -0.28 -0.08 0.00 0.00 0.00 0.00 51.96 51.82 2jtc s ALA 247 Cb -0.01 0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.16 2jtc s ALA 247 CO 0.09 -0.11 0.10 0.08 0.00 0.00 0.00 175.76 175.92 2jtc s VAL 248 N -0.91 4.47 0.05 0.00 1.01 0.22 0.11 120.40 125.35 2jtc s VAL 248 Ca -0.10 -0.21 0.07 0.00 0.00 0.00 0.00 61.98 61.74 2jtc s VAL 248 Cb -0.06 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 2jtc s VAL 248 CO -0.00 0.26 -0.19 0.68 0.00 0.00 0.00 175.10 175.84 2jtc s VAL 249 N 1.63 1.55 0.00 2.92 -7.23 -1.06 -1.00 120.40 117.20 2jtc s VAL 249 Ca 0.06 -1.20 0.00 0.00 -1.81 0.00 0.00 61.98 59.03 2jtc s VAL 249 Cb -0.16 -1.37 0.00 0.00 0.56 0.00 0.00 36.38 35.42 2jtc s VAL 249 CO 0.05 0.13 0.00 0.61 -0.31 0.00 0.00 175.10 175.58 2jtc n GLY 250 N 1.76 0.57 3.36 2.32 0.00 -1.26 -3.02 105.19 108.92 2jtc n GLY 250 Ca -0.18 -0.30 -0.46 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.01 5.44 -0.05 -0.61 1.01 -1.26 -2.34 121.20 121.38 2jtc s ILE 251 Ca 0.00 -2.37 -0.29 0.00 0.00 0.00 0.00 60.65 57.99 2jtc s ILE 251 Cb 0.00 -4.56 0.09 0.00 0.01 0.00 0.00 42.46 38.00 2jtc s ILE 251 CO 0.00 -1.16 0.78 -1.59 0.00 0.00 0.00 174.94 172.97 2jtc s LYS 252 N 0.62 0.93 0.00 2.79 -2.85 -1.26 -4.91 119.74 115.07 2jtc s LYS 252 Ca 0.23 0.08 0.27 0.00 -1.00 0.00 0.00 55.97 55.55 2jtc s LYS 252 Cb -0.09 0.44 1.64 0.00 -2.06 0.00 0.00 37.83 37.76 2jtc s LYS 252 CO -0.09 -0.32 1.98 -0.35 0.10 0.00 0.00 175.35 176.67