#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jtc n PRO 2 N 0.00 -0.86 -4.94 3.69 -0.04 -1.26 -3.80 135.00 127.79 2jtc n PRO 2 Ca 0.00 -0.92 -0.31 0.00 -0.04 0.00 0.00 63.50 62.23 2jtc n PRO 2 Cb 0.00 -0.65 -0.14 0.00 -0.04 0.00 0.00 33.50 32.67 2jtc n PRO 2 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2jtc s VAL 3 N -2.25 2.63 -0.02 0.52 1.01 -1.26 0.68 120.40 121.70 2jtc s VAL 3 Ca 0.34 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 61.31 2jtc s VAL 3 Cb -0.01 -2.02 0.02 0.00 0.00 0.00 0.00 36.38 34.36 2jtc s VAL 3 CO 0.24 0.50 -0.00 -0.69 0.00 0.00 0.00 175.10 175.15 2jtc s VAL 4 N -0.76 0.16 1.09 2.92 1.01 0.59 -4.81 120.40 120.60 2jtc s VAL 4 Ca 0.12 0.05 -0.18 0.00 0.00 0.00 0.00 61.98 61.97 2jtc s VAL 4 Cb -0.10 -0.23 0.25 0.00 0.00 0.00 0.00 36.38 36.30 2jtc s VAL 4 CO 0.02 0.12 1.23 -0.54 0.00 0.00 0.00 175.10 175.92 2jtc s LYS 5 N 0.75 -0.37 -0.61 2.72 -0.14 -1.26 0.46 119.74 121.28 2jtc s LYS 5 Ca -0.07 -0.29 -0.28 0.00 -1.36 0.00 0.00 55.97 53.97 2jtc s LYS 5 Cb -0.10 -1.72 0.02 0.00 -1.68 0.00 0.00 37.83 34.35 2jtc s LYS 5 CO -0.01 -3.11 1.36 0.45 -0.76 0.00 0.00 175.35 173.28 2jtc s SER 6 N -4.44 6.16 0.13 2.83 0.15 -1.21 -3.52 113.70 113.80 2jtc s SER 6 Ca 0.73 0.08 -0.19 0.00 0.70 0.00 0.00 55.95 57.27 2jtc s SER 6 Cb -0.06 -2.55 -0.02 0.00 -1.71 0.00 0.00 66.02 61.69 2jtc s SER 6 CO 0.55 -1.73 1.73 -0.07 1.20 0.00 0.00 173.24 174.92 2jtc h LEU 7 N 13.02 -0.02 -0.83 3.45 3.38 0.31 0.51 115.31 135.15 2jtc h LEU 7 Ca -0.27 0.04 0.07 0.00 0.09 0.00 0.00 57.88 57.81 2jtc h LEU 7 Cb 1.08 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.82 2jtc h LEU 7 CO 1.21 0.02 0.50 -0.07 0.09 0.00 0.00 178.44 180.19 2jtc h LEU 8 N 0.12 0.76 -0.80 1.67 3.38 -1.90 -0.39 115.31 118.14 2jtc h LEU 8 Ca 0.11 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 58.00 2jtc h LEU 8 Cb 0.11 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2jtc h LEU 8 CO -0.15 0.47 -0.22 -0.78 0.09 0.00 0.00 178.44 177.84 2jtc h ASP 9 N 0.88 0.66 0.00 -0.43 3.58 -1.50 0.77 116.42 120.38 2jtc h ASP 9 Ca 0.37 -0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.59 2jtc h ASP 9 Cb 0.23 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.10 2jtc h ASP 9 CO -0.20 0.88 0.11 0.77 -2.88 0.00 0.00 179.24 177.92 2jtc h SER 10 N 0.58 0.00 0.00 2.28 4.64 0.17 0.63 113.55 121.85 2jtc h SER 10 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2jtc h SER 10 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 2jtc h SER 10 CO 0.05 0.00 -0.05 0.29 -0.87 0.00 0.00 176.83 176.25 2jtc n LYS 11 N -2.50 1.39 -4.28 4.77 5.02 -0.55 -4.96 118.16 117.05 2jtc n LYS 11 Ca -0.02 -2.23 -0.36 0.00 -2.02 0.00 0.00 58.31 53.69 2jtc n LYS 11 Cb 0.15 -1.31 -0.05 0.00 -0.02 0.00 0.00 35.03 33.80 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 -1.13 -0.35 3.52 0.72 0.00 0.22 -4.63 105.19 103.54 2jtc n GLY 12 Ca 0.12 0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 2jtc n GLY 12 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jtc s ILE 13 N -3.55 4.53 -0.42 -0.61 1.01 0.25 -2.86 121.20 119.56 2jtc s ILE 13 Ca 0.54 0.28 0.02 0.00 0.00 0.00 0.00 60.65 61.49 2jtc s ILE 13 Cb -0.30 -4.44 0.15 0.00 0.01 0.00 0.00 42.46 37.87 2jtc s ILE 13 CO 0.96 -0.94 0.27 -1.00 0.00 0.00 0.00 174.94 174.23 2jtc s HIS 14 N 3.59 1.44 0.73 3.97 3.76 0.73 -4.62 115.29 124.90 2jtc s HIS 14 Ca 0.29 -2.18 0.00 0.00 -0.15 0.00 0.00 55.06 53.03 2jtc s HIS 14 Cb -0.13 -1.37 0.14 0.00 1.11 0.00 0.00 32.58 32.33 2jtc s HIS 14 CO 0.20 -0.79 1.01 0.66 -0.85 0.00 0.00 174.74 174.96 2jtc n TYR 15 N 3.45 -2.88 -3.02 1.40 4.01 -1.25 -3.48 117.16 115.38 2jtc n TYR 15 Ca 0.15 -1.82 0.00 0.00 -0.16 0.00 0.00 57.90 56.07 2jtc n TYR 15 Cb 0.38 -0.73 0.00 0.00 -0.31 0.00 0.00 39.34 38.68 2jtc n TYR 15 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2jtc n ASN 16 N -2.86 0.00 0.00 7.72 2.85 -1.26 -3.01 115.26 118.69 2jtc n ASN 16 Ca 0.17 -0.38 0.00 0.00 -0.11 0.00 0.00 54.58 54.26 2jtc n ASN 16 Cb 0.60 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.62 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 0.00 1.59 -0.03 1.20 6.02 -1.26 -4.71 117.38 120.19 2jtc n GLN 17 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.96 2jtc n GLN 17 Cb 0.00 -0.88 -0.03 0.00 1.02 0.00 0.00 30.24 30.35 2jtc n GLN 17 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jtc n GLY 18 N 1.93 -0.15 0.00 1.08 0.00 -1.26 -0.45 105.19 106.34 2jtc n GLY 18 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2jtc n GLY 18 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2jtc n ASN 19 N -2.46 0.00 0.00 1.61 4.05 -1.26 -3.49 115.26 113.71 2jtc n ASN 19 Ca -0.09 0.00 0.08 0.00 0.45 0.00 0.00 54.58 55.02 2jtc n ASN 19 Cb 0.63 0.00 0.50 0.00 1.23 0.00 0.00 39.78 42.14 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 0.65 0.09 1.20 -0.04 -1.26 -2.43 135.00 133.21 2jtc n PRO 20 Ca 0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.40 2jtc n PRO 20 Cb 0.00 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.05 2jtc n PRO 20 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2jtc h TYR 21 N 0.00 0.12 -0.44 0.54 -1.99 -1.88 -3.04 116.97 110.27 2jtc h TYR 21 Ca 0.00 -0.07 0.00 0.00 2.00 0.00 0.00 58.73 60.66 2jtc h TYR 21 Cb 0.00 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 38.72 2jtc h TYR 21 CO 0.00 0.89 0.00 0.27 -0.00 0.00 0.00 178.16 179.32 2jtc n ASN 22 N -3.59 3.96 0.00 3.88 6.94 -1.02 -4.20 115.26 121.23 2jtc n ASN 22 Ca -0.02 -2.49 0.09 0.00 -0.02 0.00 0.00 54.58 52.15 2jtc n ASN 22 Cb 0.80 -0.56 0.52 0.00 -2.36 0.00 0.00 39.78 38.19 2jtc n ASN 22 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2jtc n LEU 23 N 0.60 0.00 0.00 -4.53 4.77 -1.15 -2.78 117.00 113.92 2jtc n LEU 23 Ca 0.19 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 2jtc n LEU 23 Cb 0.80 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 2jtc n LEU 23 CO 0.20 -0.06 0.04 0.18 -1.33 0.00 0.00 177.39 176.42 2jtc n LEU 24 N -1.15 0.16 -4.59 2.23 4.77 -1.26 -5.01 117.00 112.14 2jtc n LEU 24 Ca 0.12 -0.40 -0.30 0.00 -0.03 0.00 0.00 56.01 55.40 2jtc n LEU 24 Cb 0.11 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.40 2jtc n LEU 24 CO 0.13 0.04 0.60 0.42 -1.33 0.00 0.00 177.39 177.25 2jtc s THR 25 N -0.49 2.13 0.28 -5.08 -4.23 -1.12 -4.86 115.64 102.27 2jtc s THR 25 Ca 0.00 0.04 -0.29 0.00 -1.18 0.00 0.00 61.69 60.26 2jtc s THR 25 Cb 0.00 -2.14 -0.10 0.00 1.34 0.00 0.00 72.50 71.61 2jtc s THR 25 CO 0.00 -0.06 1.19 -2.16 -0.54 0.00 0.00 174.62 173.06 2jtc s PRO 26 N -4.59 4.51 0.38 3.99 0.04 -1.26 -4.60 135.00 133.46 2jtc s PRO 26 Ca 0.67 1.96 -0.21 0.00 0.04 0.00 0.00 61.00 63.46 2jtc s PRO 26 Cb -0.23 -3.16 -0.10 0.00 0.04 0.00 0.00 34.50 31.05 2jtc s PRO 26 CO 0.61 0.01 0.91 0.08 0.04 0.00 0.00 177.00 178.65 2jtc s VAL 27 N -0.91 4.40 0.43 -0.36 1.01 -1.26 -0.64 120.40 123.07 2jtc s VAL 27 Ca 0.48 1.48 -0.22 0.00 0.00 0.00 0.00 61.98 63.72 2jtc s VAL 27 Cb -0.35 -3.71 -0.10 0.00 0.00 0.00 0.00 36.38 32.22 2jtc s VAL 27 CO 0.44 -0.16 0.98 -0.63 0.00 0.00 0.00 175.10 175.73 2jtc s ILE 28 N -1.98 4.13 0.00 2.22 1.01 0.59 -4.84 121.20 122.32 2jtc s ILE 28 Ca 0.57 1.41 0.00 0.00 0.00 0.00 0.00 60.65 62.63 2jtc s ILE 28 Cb -0.12 -3.62 0.00 0.00 0.01 0.00 0.00 42.46 38.74 2jtc s ILE 28 CO 0.17 -0.21 0.00 -0.62 0.00 0.00 0.00 174.94 174.28 2jtc n GLU 29 N -0.52 1.96 -4.65 2.79 1.02 -0.98 -0.51 120.64 119.75 2jtc n GLU 29 Ca 0.07 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.92 2jtc n GLU 29 Cb 0.53 -0.86 -0.10 0.00 -0.02 0.00 0.00 31.44 30.99 2jtc n GLU 29 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2jtc s LYS 30 N -1.49 2.01 -0.05 3.49 1.02 0.82 -4.80 119.74 120.75 2jtc s LYS 30 Ca 0.00 -2.20 0.03 0.00 0.02 0.00 0.00 55.97 53.82 2jtc s LYS 30 Cb 0.00 -1.48 -0.03 0.00 -0.52 0.00 0.00 37.83 35.80 2jtc s LYS 30 CO 0.00 -0.19 -0.14 0.08 -0.92 0.00 0.00 175.35 174.18 2jtc s VAL 31 N -2.84 3.08 0.02 3.17 1.01 -1.25 -4.24 120.40 119.35 2jtc s VAL 31 Ca 0.24 -0.71 -0.30 0.00 0.00 0.00 0.00 61.98 61.21 2jtc s VAL 31 Cb 0.07 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 2jtc s VAL 31 CO 0.12 0.59 1.03 -0.75 0.00 0.00 0.00 175.10 176.09 2jtc s LYS 32 N -0.68 4.55 -0.00 2.72 2.20 -1.20 -4.79 119.74 122.54 2jtc s LYS 32 Ca 0.10 1.50 -0.30 0.00 -0.36 0.00 0.00 55.97 56.91 2jtc s LYS 32 Cb -0.11 -3.43 -0.06 0.00 -1.51 0.00 0.00 37.83 32.73 2jtc s LYS 32 CO 0.01 -0.07 1.45 -1.25 -0.36 0.00 0.00 175.35 175.12 2jtc s PRO 33 N 0.91 4.26 0.00 4.03 0.04 -1.26 -2.42 135.00 140.56 2jtc s PRO 33 Ca 0.53 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.58 2jtc s PRO 33 Cb -0.23 -3.62 0.00 0.00 0.04 0.00 0.00 34.50 30.69 2jtc s PRO 33 CO 0.29 -0.62 0.00 0.41 0.04 0.00 0.00 177.00 177.11 2jtc n GLY 34 N 3.72 1.14 3.39 0.56 0.00 -1.26 -5.08 105.19 107.66 2jtc n GLY 34 Ca 0.14 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.50 0.71 -0.92 1.61 2.13 -1.02 -5.13 120.64 116.53 2jtc n GLU 35 Ca 0.00 -2.81 -0.15 0.00 0.66 0.00 0.00 57.16 54.86 2jtc n GLU 35 Cb 0.00 2.71 0.11 0.00 0.27 0.00 0.00 31.44 34.53 2jtc n GLU 35 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2jtc n GLN 36 N -0.58 -0.82 -3.14 5.31 6.02 -1.26 -4.81 117.38 118.10 2jtc n GLN 36 Ca 0.01 -1.03 -0.39 0.00 -0.01 0.00 0.00 57.00 55.57 2jtc n GLN 36 Cb 0.59 -0.71 -0.06 0.00 1.02 0.00 0.00 30.24 31.08 2jtc n GLN 36 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2jtc s SER 37 N -3.43 7.15 -0.07 1.08 0.15 -1.26 -4.38 113.70 112.95 2jtc s SER 37 Ca 0.38 1.37 0.10 0.00 0.70 0.00 0.00 55.95 58.50 2jtc s SER 37 Cb -0.01 -2.41 0.16 0.00 -1.71 0.00 0.00 66.02 62.04 2jtc s SER 37 CO 0.27 0.18 1.05 0.49 1.20 0.00 0.00 173.24 176.42 2jtc n PHE 38 N 2.10 0.00 -1.93 3.44 3.72 -1.26 -5.03 117.46 118.50 2jtc n PHE 38 Ca -0.07 -0.66 -0.39 0.00 -0.05 0.00 0.00 57.45 56.28 2jtc n PHE 38 Cb 0.50 -0.10 0.01 0.00 -0.94 0.00 0.00 39.48 38.95 2jtc n PHE 38 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2jtc s VAL 39 N -1.79 2.36 0.00 -4.37 1.01 -1.26 -1.51 120.40 114.84 2jtc s VAL 39 Ca 0.17 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.46 2jtc s VAL 39 Cb 0.15 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.36 2jtc s VAL 39 CO 0.02 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.76 2jtc n GLY 40 N 0.63 1.84 3.71 4.51 0.00 0.34 -4.90 105.19 111.31 2jtc n GLY 40 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 2jtc n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jtc s GLN 41 N -0.00 4.44 -0.30 1.61 -0.21 -0.57 -4.75 119.66 119.88 2jtc s GLN 41 Ca 0.00 0.97 -0.29 0.00 0.02 0.00 0.00 55.36 56.06 2jtc s GLN 41 Cb 0.00 -3.46 -0.01 0.00 1.00 0.00 0.00 33.01 30.54 2jtc s GLN 41 CO 0.00 0.01 1.46 -1.01 -2.12 0.00 0.00 175.29 173.64 2jtc s HIS 42 N 0.94 2.37 0.95 0.91 3.76 -1.26 -0.30 115.29 122.66 2jtc s HIS 42 Ca 0.40 0.70 -0.13 0.00 -0.15 0.00 0.00 55.06 55.88 2jtc s HIS 42 Cb -0.18 -4.04 0.04 0.00 1.11 0.00 0.00 32.58 29.51 2jtc s HIS 42 CO 0.19 -2.25 0.44 0.00 -0.85 0.00 0.00 174.74 172.27 2jtc n ALA 43 N 8.37 -2.52 -1.72 -1.40 0.00 0.19 -4.86 120.51 118.58 2jtc n ALA 43 Ca 0.17 -0.61 -0.29 0.00 0.00 0.00 0.00 53.44 52.71 2jtc n ALA 43 Cb 0.46 -1.82 0.11 0.00 0.00 0.00 0.00 19.45 18.21 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 -2.41 2.20 0.05 0.00 0.00 -0.74 -4.64 121.76 116.23 2jtc s ALA 44 Ca 0.57 -0.60 -0.03 0.00 0.00 0.00 0.00 51.96 51.90 2jtc s ALA 44 Cb -0.21 -2.99 -0.28 0.00 0.00 0.00 0.00 23.12 19.64 2jtc s ALA 44 CO 0.67 -2.00 1.04 1.79 0.00 0.00 0.00 175.76 177.26 2jtc h THR 45 N -1.29 1.38 0.00 0.00 1.35 -1.08 -3.42 112.91 109.85 2jtc h THR 45 Ca -0.48 -2.98 0.00 0.00 -0.55 0.00 0.00 66.41 62.40 2jtc h THR 45 Cb 1.33 2.87 0.00 0.00 -1.73 0.00 0.00 68.15 70.62 2jtc h THR 45 CO 0.63 0.86 0.00 0.61 -0.25 0.00 0.00 175.52 177.38 2jtc n GLY 46 N 1.57 2.35 0.16 5.82 0.00 -1.24 -4.39 105.19 109.46 2jtc n GLY 46 Ca -0.11 -1.50 -0.09 0.00 0.00 0.00 0.00 46.02 44.32 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 -0.34 -0.53 1.61 4.64 -1.86 0.50 113.55 117.57 2jtc h SER 47 Ca 0.00 0.08 0.10 0.00 -0.47 0.00 0.00 61.79 61.50 2jtc h SER 47 Cb 0.00 0.18 -0.11 0.00 -0.31 0.00 0.00 62.40 62.16 2jtc h SER 47 CO 0.00 -0.14 -0.26 0.58 -0.87 0.00 0.00 176.83 176.14 2jtc h VAL 48 N -0.10 0.28 0.07 0.95 2.07 -1.80 2.28 116.25 119.99 2jtc h VAL 48 Ca 0.10 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.61 2jtc h VAL 48 Cb 0.25 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 2jtc h VAL 48 CO -0.23 0.00 -0.03 0.00 0.02 0.00 0.00 177.57 177.33 2jtc h ALA 49 N 1.15 -0.09 -0.27 1.67 0.00 -1.44 -1.05 119.26 119.23 2jtc h ALA 49 Ca 0.24 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 2jtc h ALA 49 Cb 0.51 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2jtc h ALA 49 CO -0.61 -0.54 0.03 1.15 0.00 0.00 0.00 179.25 179.28 2jtc h THR 50 N -0.11 1.15 -0.45 0.00 2.02 0.19 0.86 112.91 116.58 2jtc h THR 50 Ca -0.01 -0.55 -0.09 0.00 0.77 0.00 0.00 66.41 66.52 2jtc h THR 50 Cb 0.09 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 2jtc h THR 50 CO 0.02 0.19 -0.09 0.00 0.37 0.00 0.00 175.52 176.01 2jtc h ALA 51 N 1.66 0.61 0.09 6.16 0.00 0.42 -2.29 119.26 125.91 2jtc h ALA 51 Ca 0.09 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 2jtc h ALA 51 Cb 0.21 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2jtc h ALA 51 CO 0.00 0.49 -0.04 1.15 0.00 0.00 0.00 179.25 180.85 2jtc h THR 52 N 0.68 1.07 -0.98 0.00 2.02 -0.41 -3.06 112.91 112.23 2jtc h THR 52 Ca 0.12 -1.40 0.21 0.00 0.77 0.00 0.00 66.41 66.11 2jtc h THR 52 Cb 0.62 1.86 -0.09 0.00 -1.74 0.00 0.00 68.15 68.80 2jtc h THR 52 CO 0.04 0.30 0.62 0.00 0.37 0.00 0.00 175.52 176.85 2jtc h ALA 53 N -0.18 1.95 -0.35 6.16 0.00 0.67 1.81 119.26 129.32 2jtc h ALA 53 Ca -0.01 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2jtc h ALA 53 Cb 0.59 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2jtc h ALA 53 CO 0.02 -0.30 0.15 1.96 0.00 0.00 0.00 179.25 181.07 2jtc h GLN 54 N 0.58 0.52 0.00 0.00 4.20 -1.46 0.64 115.11 119.60 2jtc h GLN 54 Ca 0.55 -0.09 -0.09 0.00 0.06 0.00 0.00 58.65 59.08 2jtc h GLN 54 Cb 1.11 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.79 2jtc h GLN 54 CO -0.30 0.51 -0.42 0.82 -0.67 0.00 0.00 178.83 178.76 2jtc h ILE 55 N 0.43 1.14 -0.52 2.54 2.04 -0.23 0.49 117.51 123.39 2jtc h ILE 55 Ca 0.12 -1.54 -0.10 0.00 1.00 0.00 0.00 64.86 64.34 2jtc h ILE 55 Cb 0.17 1.87 -0.02 0.00 -0.74 0.00 0.00 36.82 38.10 2jtc h ILE 55 CO -0.01 0.42 -0.08 0.24 0.00 0.00 0.00 178.15 178.72 2jtc h MET 56 N 0.00 0.98 -0.31 2.37 2.86 0.37 -2.18 114.93 119.02 2jtc h MET 56 Ca -0.00 -0.35 -0.15 0.00 -2.06 0.00 0.00 59.70 57.14 2jtc h MET 56 Cb 0.83 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.42 2jtc h MET 56 CO 0.06 1.02 -0.39 -0.22 1.06 0.00 0.00 176.91 178.44 2jtc h LYS 57 N 0.84 0.80 -0.61 1.72 1.63 0.94 1.31 116.57 123.21 2jtc h LYS 57 Ca 0.14 -0.45 0.17 0.00 -0.85 0.00 0.00 60.65 59.66 2jtc h LYS 57 Cb 0.63 0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.27 2jtc h LYS 57 CO 0.04 1.09 0.44 -0.92 -3.45 0.00 0.00 179.45 176.64 2jtc h TYR 58 N 0.57 0.05 0.00 1.91 5.03 0.33 -2.11 116.97 122.75 2jtc h TYR 58 Ca 0.04 0.00 -0.09 0.00 2.58 0.00 0.00 58.73 61.26 2jtc h TYR 58 Cb 0.98 -0.01 -0.02 0.00 1.55 0.00 0.00 36.73 39.22 2jtc h TYR 58 CO 0.07 0.02 -1.73 0.72 -1.32 0.00 0.00 178.16 175.92 2jtc n HIS 59 N -4.37 0.00 -4.04 -3.82 8.25 -0.85 -4.99 115.22 105.40 2jtc n HIS 59 Ca 0.12 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.24 2jtc n HIS 59 Cb 0.66 -0.44 -0.02 0.00 1.12 0.00 0.00 29.99 31.31 2jtc n HIS 59 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2jtc n ASN 60 N -2.18 -1.75 0.00 0.41 3.02 0.45 -4.89 115.26 110.32 2jtc n ASN 60 Ca -0.10 -1.16 0.00 0.00 -0.03 0.00 0.00 54.58 53.29 2jtc n ASN 60 Cb 0.58 -2.36 0.00 0.00 -0.61 0.00 0.00 39.78 37.40 2jtc n ASN 60 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jtc n TYR 61 N -4.58 0.00 -2.07 3.10 9.36 -1.25 -4.67 117.16 117.05 2jtc n TYR 61 Ca -0.23 0.00 -0.39 0.00 3.32 0.00 0.00 57.90 60.60 2jtc n TYR 61 Cb 0.64 -0.47 -0.03 0.00 -0.63 0.00 0.00 39.34 38.86 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 -1.06 2.71 0.55 2.98 0.04 -1.26 -4.75 135.00 134.21 2jtc s PRO 62 Ca 0.00 0.63 0.34 0.00 0.04 0.00 0.00 61.00 62.01 2jtc s PRO 62 Cb 0.00 -4.36 1.45 0.00 0.04 0.00 0.00 34.50 31.63 2jtc s PRO 62 CO 0.00 -2.63 2.02 -0.97 0.04 0.00 0.00 177.00 175.45 2jtc h ASN 63 N 14.55 0.00 -4.11 6.66 -0.73 -1.83 -3.39 115.58 126.72 2jtc h ASN 63 Ca -0.27 0.00 -0.35 0.00 1.87 0.00 0.00 56.30 57.55 2jtc h ASN 63 Cb 1.16 0.00 -0.27 0.00 0.27 0.00 0.00 38.32 39.47 2jtc h ASN 63 CO 1.21 0.03 -0.76 -0.75 -0.37 0.00 0.00 177.43 176.78 2jtc s LYS 64 N -3.74 0.60 0.68 6.67 2.20 -1.26 0.12 119.74 125.01 2jtc s LYS 64 Ca 0.00 -0.37 -0.17 0.00 -0.36 0.00 0.00 55.97 55.08 2jtc s LYS 64 Cb 0.10 -0.56 -0.00 0.00 -1.51 0.00 0.00 37.83 35.86 2jtc s LYS 64 CO 0.54 0.15 1.06 0.41 -0.36 0.00 0.00 175.35 177.14 2jtc n GLY 65 N 2.62 -0.15 0.06 5.54 0.00 -0.34 -4.86 105.19 108.06 2jtc n GLY 65 Ca -0.15 -0.26 -0.04 0.00 0.00 0.00 0.00 46.02 45.57 2jtc n GLY 65 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2jtc h LEU 66 N 0.04 0.00 -7.78 0.99 6.46 -1.28 -3.37 115.31 110.37 2jtc h LEU 66 Ca -0.48 0.00 -0.35 0.00 -0.12 0.00 0.00 57.88 56.92 2jtc h LEU 66 Cb 1.34 0.00 -0.31 0.00 -0.73 0.00 0.00 40.66 40.96 2jtc h LEU 66 CO 0.49 0.66 -0.76 -0.75 -0.62 0.00 0.00 178.44 177.46 2jtc s LYS 67 N -2.06 0.51 0.92 1.25 2.20 -1.13 -4.15 119.74 117.28 2jtc s LYS 67 Ca -0.12 -0.10 -0.11 0.00 -0.36 0.00 0.00 55.97 55.28 2jtc s LYS 67 Cb 0.02 -0.55 0.12 0.00 -1.51 0.00 0.00 37.83 35.90 2jtc s LYS 67 CO 0.18 -0.00 0.98 -0.25 -0.36 0.00 0.00 175.35 175.89 2jtc n ASP 68 N 3.56 -0.20 -3.81 1.43 8.00 -1.26 -3.83 116.55 120.44 2jtc n ASP 68 Ca -0.20 0.41 -0.12 0.00 0.71 0.00 0.00 54.79 55.58 2jtc n ASP 68 Cb 0.54 -1.42 -0.13 0.00 -0.02 0.00 0.00 41.12 40.10 2jtc n ASP 68 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2jtc s TYR 69 N -2.56 -0.18 0.03 1.24 6.14 -0.22 -4.82 117.35 116.99 2jtc s TYR 69 Ca 0.65 0.43 -0.05 0.00 0.64 0.00 0.00 57.07 58.74 2jtc s TYR 69 Cb -0.23 0.06 -0.01 0.00 0.42 0.00 0.00 41.96 42.20 2jtc s TYR 69 CO 0.60 -0.09 0.08 -0.08 0.64 0.00 0.00 175.55 176.70 2jtc s THR 70 N 0.12 0.13 0.06 4.34 -1.32 -1.26 0.16 115.64 117.87 2jtc s THR 70 Ca -0.00 -1.05 -0.19 0.00 -1.21 0.00 0.00 61.69 59.23 2jtc s THR 70 Cb -0.01 -0.78 0.04 0.00 -1.51 0.00 0.00 72.50 70.24 2jtc s THR 70 CO -0.00 -0.58 0.45 -0.72 -2.21 0.00 0.00 174.62 171.56 2jtc s TYR 71 N -2.36 -0.32 -0.13 9.09 1.13 0.20 -4.95 117.35 120.02 2jtc s TYR 71 Ca -0.07 0.28 -0.17 0.00 -1.41 0.00 0.00 57.07 55.69 2jtc s TYR 71 Cb -0.03 0.27 -0.04 0.00 -1.10 0.00 0.00 41.96 41.06 2jtc s TYR 71 CO -0.04 -0.62 0.43 0.99 -2.51 0.00 0.00 175.55 173.81 2jtc s THR 72 N -2.64 5.21 0.51 -3.49 2.01 -1.26 -0.05 115.64 115.94 2jtc s THR 72 Ca -0.04 0.86 -0.19 0.00 0.31 0.00 0.00 61.69 62.63 2jtc s THR 72 Cb -0.00 -3.77 -0.12 0.00 0.01 0.00 0.00 72.50 68.61 2jtc s THR 72 CO -0.03 0.34 0.30 -0.11 -0.69 0.00 0.00 174.62 174.43 2jtc n LEU 73 N 3.64 -0.97 -4.77 4.42 7.94 0.45 -4.83 117.00 122.88 2jtc n LEU 73 Ca -0.08 0.75 -0.40 0.00 -1.11 0.00 0.00 56.01 55.17 2jtc n LEU 73 Cb 0.52 -1.04 0.01 0.00 0.53 0.00 0.00 43.42 43.43 2jtc n LEU 73 CO 0.42 -3.62 1.06 -0.55 -1.11 0.00 0.00 177.39 173.59 2jtc s SER 74 N -1.06 6.03 0.00 1.96 0.15 -1.26 -4.81 113.70 114.71 2jtc s SER 74 Ca 0.63 2.89 0.13 0.00 0.70 0.00 0.00 55.95 60.31 2jtc s SER 74 Cb -0.51 -2.65 0.73 0.00 -1.71 0.00 0.00 66.02 61.88 2jtc s SER 74 CO 0.59 -1.07 1.30 -1.20 1.20 0.00 0.00 173.24 174.07 2jtc n SER 75 N -0.03 0.00 -0.21 5.45 7.64 -1.26 -1.53 113.62 123.69 2jtc n SER 75 Ca 0.04 -0.12 0.11 0.00 1.01 0.00 0.00 58.87 59.91 2jtc n SER 75 Cb 0.42 -0.17 -0.02 0.00 -1.01 0.00 0.00 64.21 63.43 2jtc n SER 75 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2jtc n ASN 76 N -1.17 1.37 -4.60 6.43 4.05 -1.26 -4.88 115.26 115.20 2jtc n ASN 76 Ca 0.08 -1.14 -0.43 0.00 0.45 0.00 0.00 54.58 53.54 2jtc n ASN 76 Cb 0.08 0.69 -0.02 0.00 1.23 0.00 0.00 39.78 41.76 2jtc n ASN 76 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 177.26 174.42 2jtc s ASN 77 N -2.77 6.07 -0.07 1.20 3.84 -0.58 -4.84 114.94 117.78 2jtc s ASN 77 Ca 0.13 1.15 0.08 0.00 0.21 0.00 0.00 52.86 54.43 2jtc s ASN 77 Cb 0.17 -2.53 0.36 0.00 -0.55 0.00 0.00 41.25 38.70 2jtc s ASN 77 CO 0.72 -1.60 1.15 -0.81 -2.79 0.00 0.00 177.10 173.77 2jtc n PRO 78 N 8.28 2.45 -0.02 0.43 -0.04 -1.26 -4.00 135.00 140.84 2jtc n PRO 78 Ca 0.21 -1.39 0.04 0.00 -0.04 0.00 0.00 63.50 62.32 2jtc n PRO 78 Cb 0.47 -1.64 -0.12 0.00 -0.04 0.00 0.00 33.50 32.17 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 -4.46 0.54 4.01 -1.26 -3.21 117.16 113.15 2jtc n TYR 79 Ca 0.12 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.63 2jtc n TYR 79 Cb 0.54 -0.44 -0.10 0.00 -0.31 0.00 0.00 39.34 39.03 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 -2.87 2.15 0.00 -0.72 0.40 -1.26 0.29 117.98 115.97 2jtc s PHE 80 Ca -0.06 -0.50 0.00 0.00 -0.60 0.00 0.00 56.93 55.77 2jtc s PHE 80 Cb 0.08 -1.10 0.00 0.00 0.51 0.00 0.00 43.02 42.51 2jtc s PHE 80 CO 0.62 0.52 0.58 0.09 0.70 0.00 0.00 175.22 177.73 2jtc n ASN 81 N -0.63 0.00 0.00 1.36 3.02 -1.26 -4.90 115.26 112.85 2jtc n ASN 81 Ca -0.06 0.58 0.00 0.00 -0.03 0.00 0.00 54.58 55.07 2jtc n ASN 81 Cb 0.62 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.71 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 -1.13 0.00 -0.98 3.10 8.25 -1.26 -4.95 115.22 118.24 2jtc n HIS 82 Ca 0.00 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.22 2jtc n HIS 82 Cb 0.00 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.05 2jtc n HIS 82 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2jtc n PRO 83 N 0.00 2.53 -3.56 -0.41 -0.04 -1.26 -4.28 135.00 127.99 2jtc n PRO 83 Ca 0.00 -1.51 -0.41 0.00 -0.04 0.00 0.00 63.50 61.54 2jtc n PRO 83 Cb 0.00 -2.39 -0.09 0.00 -0.04 0.00 0.00 33.50 30.98 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 2.23 2.60 -0.16 0.54 2.47 -1.26 -4.96 119.74 121.20 2jtc s LYS 84 Ca 0.56 -1.57 -0.08 0.00 -1.56 0.00 0.00 55.97 53.32 2jtc s LYS 84 Cb 0.19 -3.88 -0.04 0.00 -1.46 0.00 0.00 37.83 32.63 2jtc s LYS 84 CO -0.03 -1.06 0.11 0.54 0.16 0.00 0.00 175.35 175.07 2jtc s ASN 85 N 2.41 6.11 -0.00 1.43 2.20 -1.26 0.17 114.94 126.00 2jtc s ASN 85 Ca 0.04 0.30 0.02 0.00 -0.94 0.00 0.00 52.86 52.27 2jtc s ASN 85 Cb -0.25 -2.01 -0.04 0.00 -2.00 0.00 0.00 41.25 36.96 2jtc s ASN 85 CO 0.01 0.29 -0.01 -0.76 -2.94 0.00 0.00 177.10 173.70 2jtc s LEU 86 N -0.31 3.48 -0.04 3.54 1.02 0.93 -4.90 118.68 122.39 2jtc s LEU 86 Ca 0.11 -0.02 0.01 0.00 0.02 0.00 0.00 54.13 54.25 2jtc s LEU 86 Cb -0.12 -1.99 0.02 0.00 0.02 0.00 0.00 46.19 44.12 2jtc s LEU 86 CO 0.01 0.28 -0.05 0.12 0.02 0.00 0.00 176.35 176.73 2jtc s PHE 87 N -1.07 0.79 -0.31 0.29 5.36 -1.26 -0.62 117.98 121.15 2jtc s PHE 87 Ca 0.19 -0.22 -0.07 0.00 -0.96 0.00 0.00 56.93 55.86 2jtc s PHE 87 Cb -0.11 -0.68 0.01 0.00 -0.34 0.00 0.00 43.02 41.90 2jtc s PHE 87 CO 0.10 -0.18 0.10 0.00 -1.46 0.00 0.00 175.22 173.78 2jtc s ALA 88 N 0.83 3.11 -0.33 11.12 0.00 0.43 -4.96 121.76 131.97 2jtc s ALA 88 Ca -0.12 -1.51 -0.05 0.00 0.00 0.00 0.00 51.96 50.29 2jtc s ALA 88 Cb -0.14 -2.23 -0.14 0.00 0.00 0.00 0.00 23.12 20.61 2jtc s ALA 88 CO 0.01 -1.02 2.43 0.00 0.00 0.00 0.00 175.76 177.18 2jtc n ALA 89 N 4.88 4.69 -0.02 0.00 0.00 -1.26 -1.06 120.51 127.75 2jtc n ALA 89 Ca -0.14 -1.51 -0.09 0.00 0.00 0.00 0.00 53.44 51.70 2jtc n ALA 89 Cb 0.47 -2.53 -0.02 0.00 0.00 0.00 0.00 19.45 17.37 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 2.67 0.47 -0.95 0.00 2.04 -1.88 0.39 117.51 120.24 2jtc h ILE 90 Ca 0.26 0.00 0.28 0.00 1.00 0.00 0.00 64.86 66.40 2jtc h ILE 90 Cb 0.73 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 2jtc h ILE 90 CO 0.69 0.00 0.93 0.77 0.00 0.00 0.00 178.15 180.55 2jtc h SER 91 N -0.24 0.00 -0.24 1.72 4.64 -1.72 2.05 113.55 119.75 2jtc h SER 91 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 2jtc h SER 91 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 2jtc h SER 91 CO -0.32 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 175.99 2jtc n THR 92 N -3.61 2.23 -2.63 2.95 -2.24 0.12 -4.57 114.28 106.53 2jtc n THR 92 Ca 0.21 -1.90 -0.35 0.00 -2.27 0.00 0.00 64.05 59.74 2jtc n THR 92 Cb 1.24 -0.24 -0.05 0.00 -2.10 0.00 0.00 70.33 69.18 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 4.15 -0.56 -0.78 1.81 0.69 -4.84 118.95 116.62 2jtc s ARG 93 Ca 0.41 1.37 0.01 0.00 -1.72 0.00 0.00 55.73 55.80 2jtc s ARG 93 Cb 0.33 -2.40 0.14 0.00 -0.45 0.00 0.00 34.95 32.58 2jtc s ARG 93 CO 0.08 -0.13 0.33 -1.14 -0.68 0.00 0.00 175.30 173.77 2jtc s GLN 94 N -2.75 2.22 -0.82 3.54 -0.44 -1.26 -1.20 119.66 118.95 2jtc s GLN 94 Ca 0.60 -2.58 -0.25 0.00 -2.50 0.00 0.00 55.36 50.63 2jtc s GLN 94 Cb -0.17 -3.49 0.04 0.00 -1.64 0.00 0.00 33.01 27.74 2jtc s GLN 94 CO 0.22 -1.13 1.29 0.71 0.50 0.00 0.00 175.29 176.88 2jtc s TYR 95 N -0.19 2.41 -1.05 1.67 2.02 0.33 -4.93 117.35 117.61 2jtc s TYR 95 Ca 0.17 -0.35 -0.22 0.00 -0.37 0.00 0.00 57.07 56.30 2jtc s TYR 95 Cb -0.23 -4.61 0.06 0.00 -0.40 0.00 0.00 41.96 36.78 2jtc s TYR 95 CO -0.02 -1.99 1.47 1.21 -1.57 0.00 0.00 175.55 174.66 2jtc s ASN 96 N 4.07 6.55 0.00 2.29 3.84 -1.26 -4.51 114.94 125.92 2jtc s ASN 96 Ca 0.37 -1.61 0.02 0.00 0.21 0.00 0.00 52.86 51.84 2jtc s ASN 96 Cb -0.06 -2.56 0.07 0.00 -0.55 0.00 0.00 41.25 38.14 2jtc s ASN 96 CO 0.07 -1.44 1.00 0.79 -2.79 0.00 0.00 177.10 174.73 2jtc n TRP 97 N 8.69 0.00 0.17 0.43 5.03 -1.26 -0.03 117.44 130.47 2jtc n TRP 97 Ca 0.35 0.00 0.11 0.00 3.03 0.00 0.00 57.50 60.99 2jtc n TRP 97 Cb 0.50 -0.45 0.01 0.00 -1.03 0.00 0.00 31.31 30.34 2jtc n TRP 97 CO 0.00 0.00 0.00 0.09 -0.03 0.00 0.00 177.69 177.75 2jtc n ASN 98 N -1.45 0.77 -0.07 -0.99 3.02 -1.26 -3.97 115.26 111.31 2jtc n ASN 98 Ca 0.00 0.25 -0.02 0.00 -0.03 0.00 0.00 54.58 54.79 2jtc n ASN 98 Cb 0.02 0.54 -0.16 0.00 -0.61 0.00 0.00 39.78 39.57 2jtc n ASN 98 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2jtc n ASN 99 N -2.55 0.06 -3.56 6.41 3.02 0.95 -4.60 115.26 114.99 2jtc n ASN 99 Ca 0.00 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.16 2jtc n ASN 99 Cb 0.53 1.36 -0.03 0.00 -0.61 0.00 0.00 39.78 41.03 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 -2.56 2.53 -1.41 2.41 5.41 0.18 -4.49 119.36 121.43 2jtc n ILE 100 Ca -0.22 -2.02 -0.38 0.00 1.00 0.00 0.00 62.75 61.12 2jtc n ILE 100 Cb 0.93 -2.39 0.03 0.00 -0.71 0.00 0.00 39.64 37.50 2jtc n ILE 100 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2jtc n LEU 101 N 6.34 -0.35 0.21 1.39 4.77 -1.26 -4.86 117.00 123.23 2jtc n LEU 101 Ca 0.51 0.71 0.10 0.00 -0.03 0.00 0.00 56.01 57.31 2jtc n LEU 101 Cb 0.35 -1.09 0.19 0.00 -2.33 0.00 0.00 43.42 40.54 2jtc n LEU 101 CO 0.94 -3.50 0.76 1.55 -1.33 0.00 0.00 177.39 175.81 2jtc h PRO 102 N 0.16 0.00 -3.39 3.23 0.13 -1.82 -3.45 132.00 126.87 2jtc h PRO 102 Ca -0.44 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.45 2jtc h PRO 102 Cb 1.41 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.24 2jtc h PRO 102 CO 0.46 0.11 -0.61 -0.08 -0.23 0.00 0.00 178.00 177.64 2jtc s THR 103 N -3.21 -0.03 -0.03 1.56 -1.32 -1.13 0.26 115.64 111.74 2jtc s THR 103 Ca 0.06 0.10 0.06 0.00 -1.21 0.00 0.00 61.69 60.70 2jtc s THR 103 Cb 0.06 -0.18 -0.01 0.00 -1.51 0.00 0.00 72.50 70.86 2jtc s THR 103 CO 0.67 0.04 -0.20 -0.31 -2.21 0.00 0.00 174.62 172.62 2jtc s TYR 104 N 0.67 1.85 -2.93 9.09 1.51 -1.23 -4.93 117.35 121.37 2jtc s TYR 104 Ca -0.05 -0.43 0.24 0.00 -1.01 0.00 0.00 57.07 55.82 2jtc s TYR 104 Cb -0.07 -1.21 0.27 0.00 -0.11 0.00 0.00 41.96 40.84 2jtc s TYR 104 CO -0.03 -0.10 1.30 -1.13 -1.11 0.00 0.00 175.55 174.49 2jtc n SER 105 N 2.81 2.84 0.00 2.29 3.41 -1.26 -4.91 113.62 118.80 2jtc n SER 105 Ca -0.16 -1.94 0.00 0.00 -0.26 0.00 0.00 58.87 56.50 2jtc n SER 105 Cb 0.53 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 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 1.33 0.54 0.00 5.00 0.00 -1.26 -4.85 105.19 105.95 2jtc n GLY 106 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.93 1.35 -1.35 1.61 1.74 -1.26 -4.90 116.66 110.92 2jtc n ARG 107 Ca 0.00 -1.08 -0.29 0.00 -0.77 0.00 0.00 57.85 55.71 2jtc n ARG 107 Cb 0.00 -1.00 0.14 0.00 -1.02 0.00 0.00 32.46 30.59 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 -0.58 1.11 1.22 5.56 8.01 -1.26 -5.00 118.70 127.76 2jtc s GLU 108 Ca 0.00 0.55 -0.16 0.00 0.01 0.00 0.00 54.97 55.37 2jtc s GLU 108 Cb 0.00 -1.81 0.27 0.00 -4.31 0.00 0.00 34.13 28.28 2jtc s GLU 108 CO 0.00 -2.27 0.73 0.45 0.01 0.00 0.00 175.26 174.18 2jtc n SER 109 N -3.86 -2.40 0.08 -0.19 2.88 -1.26 -4.82 113.62 104.04 2jtc n SER 109 Ca 0.06 -0.31 -0.11 0.00 -1.33 0.00 0.00 58.87 57.18 2jtc n SER 109 Cb 0.57 -1.12 -0.05 0.00 -0.75 0.00 0.00 64.21 62.86 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 -2.76 0.36 0.20 -3.46 4.21 -1.98 -2.96 115.58 109.20 2jtc h ASN 110 Ca -0.57 -0.31 0.01 0.00 1.21 0.00 0.00 56.30 56.64 2jtc h ASN 110 Cb 1.32 -0.11 -0.04 0.00 -1.12 0.00 0.00 38.32 38.37 2jtc h ASN 110 CO 0.42 1.14 -0.51 0.58 -1.29 0.00 0.00 177.43 177.77 2jtc h VAL 111 N 0.13 0.00 -0.44 2.81 2.07 -1.99 0.97 116.25 119.80 2jtc h VAL 111 Ca -0.07 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 2jtc h VAL 111 Cb 1.62 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 2jtc h VAL 111 CO 0.16 0.00 0.15 1.56 0.02 0.00 0.00 177.57 179.46 2jtc h GLN 112 N -0.79 0.64 -0.50 1.57 7.50 -1.79 -1.40 115.11 120.34 2jtc h GLN 112 Ca -0.02 -0.10 -0.04 0.00 0.50 0.00 0.00 58.65 59.00 2jtc h GLN 112 Cb 0.76 -0.11 -0.02 0.00 0.05 0.00 0.00 27.48 28.16 2jtc h GLN 112 CO -0.23 0.55 0.17 0.87 -1.50 0.00 0.00 178.83 178.69 2jtc h LYS 113 N 0.63 0.77 -0.83 1.46 1.57 -1.08 -1.87 116.57 117.22 2jtc h LYS 113 Ca 0.15 -0.16 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 2jtc h LYS 113 Cb 0.17 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 2jtc h LYS 113 CO -0.01 0.71 0.55 1.98 -0.57 0.00 0.00 179.45 182.11 2jtc h MET 114 N 0.68 1.09 0.12 3.15 4.05 0.17 0.92 114.93 125.11 2jtc h MET 114 Ca 0.16 -0.07 -0.00 0.00 -0.28 0.00 0.00 59.70 59.51 2jtc h MET 114 Cb 0.25 -0.25 -0.00 0.00 -0.80 0.00 0.00 31.60 30.80 2jtc h MET 114 CO -0.01 0.72 -0.08 0.00 0.23 0.00 0.00 176.91 177.77 2jtc h ALA 115 N 1.48 -0.92 -0.94 0.39 0.00 -0.48 -1.76 119.26 117.03 2jtc h ALA 115 Ca 0.31 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.19 2jtc h ALA 115 Cb -0.12 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 2jtc h ALA 115 CO -0.07 -0.92 0.62 0.97 0.00 0.00 0.00 179.25 179.86 2jtc h ILE 116 N -0.19 1.24 -0.75 0.00 6.09 -1.40 -1.92 117.51 120.57 2jtc h ILE 116 Ca -0.02 -0.43 0.11 0.00 -1.37 0.00 0.00 64.86 63.15 2jtc h ILE 116 Cb 0.16 -0.14 -0.08 0.00 0.47 0.00 0.00 36.82 37.22 2jtc h ILE 116 CO 0.01 0.23 0.36 0.77 -3.07 0.00 0.00 178.15 176.46 2jtc h SER 117 N 1.27 0.45 -0.29 2.19 4.64 -0.73 0.12 113.55 121.20 2jtc h SER 117 Ca 0.35 0.08 -0.12 0.00 -0.47 0.00 0.00 61.79 61.62 2jtc h SER 117 Cb -0.14 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 61.95 2jtc h SER 117 CO -0.08 0.23 -0.30 -0.08 -0.87 0.00 0.00 176.83 175.73 2jtc h GLU 118 N 0.58 0.71 -0.29 4.77 4.81 -0.77 -0.44 114.58 123.94 2jtc h GLU 118 Ca 0.39 -0.38 0.07 0.00 -0.13 0.00 0.00 59.36 59.30 2jtc h GLU 118 Cb 0.47 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.80 2jtc h GLU 118 CO -0.31 1.00 -0.17 1.25 -0.73 0.00 0.00 179.01 180.05 2jtc h LEU 119 N 0.45 -0.56 -0.44 1.64 5.85 -0.39 2.20 115.31 124.06 2jtc h LEU 119 Ca 0.04 0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.90 2jtc h LEU 119 Cb 0.87 0.29 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 2jtc h LEU 119 CO 0.07 -0.20 0.29 0.24 -0.34 0.00 0.00 178.44 178.49 2jtc h MET 120 N -0.13 0.56 -0.59 1.25 2.86 -0.70 1.93 114.93 120.10 2jtc h MET 120 Ca 0.15 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.69 2jtc h MET 120 Cb 0.37 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.88 2jtc h MET 120 CO -0.38 0.37 0.09 0.00 1.06 0.00 0.00 176.91 178.06 2jtc h ALA 121 N 1.17 1.05 -0.07 6.32 0.00 0.62 2.46 119.26 130.81 2jtc h ALA 121 Ca 0.17 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2jtc h ALA 121 Cb -0.05 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 2jtc h ALA 121 CO -0.05 0.61 -0.04 -0.44 0.00 0.00 0.00 179.25 179.33 2jtc h ASP 122 N 0.90 0.16 0.57 0.00 3.32 0.44 -0.09 116.42 121.73 2jtc h ASP 122 Ca 0.18 -0.43 -0.03 0.00 0.02 0.00 0.00 57.03 56.77 2jtc h ASP 122 Cb 0.40 -0.04 0.01 0.00 0.22 0.00 0.00 39.33 39.91 2jtc h ASP 122 CO 0.01 0.56 -0.28 0.58 -1.72 0.00 0.00 179.24 178.39 2jtc h VAL 123 N -0.23 0.00 -0.93 -1.35 2.07 0.34 0.74 116.25 116.90 2jtc h VAL 123 Ca 0.02 -0.31 0.25 0.00 0.82 0.00 0.00 66.70 67.48 2jtc h VAL 123 Cb 0.50 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.13 2jtc h VAL 123 CO 0.01 0.00 0.40 1.23 0.02 0.00 0.00 177.57 179.23 2jtc h GLY 124 N -1.08 1.64 0.52 2.17 0.00 0.41 0.18 103.07 106.91 2jtc h GLY 124 Ca -0.08 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 2jtc h GLY 124 CO 0.13 -0.35 -0.20 -2.22 0.00 0.00 0.00 176.54 173.90 2jtc h ILE 125 N 0.33 0.31 -1.11 2.60 2.04 -0.92 1.32 117.51 122.09 2jtc h ILE 125 Ca 0.61 -0.63 0.32 0.00 1.00 0.00 0.00 64.86 66.16 2jtc h ILE 125 Cb 1.24 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 37.76 2jtc h ILE 125 CO -0.58 0.07 0.97 0.77 0.00 0.00 0.00 178.15 179.37 2jtc h SER 126 N -1.03 0.00 -0.80 1.72 4.64 0.24 1.66 113.55 119.98 2jtc h SER 126 Ca -0.06 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.80 2jtc h SER 126 Cb 0.53 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 62.36 2jtc h SER 126 CO 0.09 0.00 0.39 1.33 -0.87 0.00 0.00 176.83 177.78 2jtc n VAL 127 N -3.76 3.07 -4.40 0.95 0.24 0.42 -4.53 118.33 110.32 2jtc n VAL 127 Ca 0.24 -2.53 -0.36 0.00 -2.04 0.00 0.00 64.34 59.65 2jtc n VAL 127 Cb 1.33 -0.62 -0.08 0.00 -1.47 0.00 0.00 33.84 33.00 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 -1.07 -0.57 -4.70 -1.34 8.00 0.57 -4.22 116.55 113.22 2jtc n ASP 128 Ca 0.52 -1.24 -0.44 0.00 0.71 0.00 0.00 54.79 54.34 2jtc n ASP 128 Cb 1.24 -1.72 -0.03 0.00 -0.02 0.00 0.00 41.12 40.59 2jtc n ASP 128 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 2jtc n MET 129 N -4.33 2.34 -2.65 -1.24 0.00 0.45 -4.65 117.12 107.03 2jtc n MET 129 Ca -0.11 0.84 -0.43 0.00 -0.00 0.00 0.00 57.70 58.00 2jtc n MET 129 Cb 0.58 -2.58 -0.02 0.00 0.00 0.00 0.00 33.22 31.20 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 0.61 7.16 -0.29 6.12 -1.08 0.21 -4.87 116.67 124.52 2jtc s ASP 130 Ca 0.70 1.48 -0.09 0.00 -0.52 0.00 0.00 52.55 54.12 2jtc s ASP 130 Cb -0.60 -2.55 -0.02 0.00 -1.46 0.00 0.00 42.92 38.29 2jtc s ASP 130 CO 0.44 -0.57 0.14 -0.31 0.52 0.00 0.00 175.17 175.39 2jtc s TYR 131 N 2.64 3.16 0.00 -5.34 2.02 -1.26 -2.02 117.35 116.55 2jtc s TYR 131 Ca 0.47 -0.37 0.00 0.00 -0.37 0.00 0.00 57.07 56.80 2jtc s TYR 131 Cb -0.17 -2.33 0.00 0.00 -0.40 0.00 0.00 41.96 39.06 2jtc s TYR 131 CO 0.12 -0.36 0.00 0.41 -1.57 0.00 0.00 175.55 174.15 2jtc n GLY 132 N 4.99 3.54 0.26 0.71 0.00 -1.26 -4.84 105.19 108.58 2jtc n GLY 132 Ca -0.15 -1.18 0.05 0.00 0.00 0.00 0.00 46.02 44.74 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 0.19 -6.15 1.61 0.13 -1.90 -1.96 132.00 123.92 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 -0.04 -0.17 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 0.00 178.00 176.20 2jtc s SER 134 N -6.92 4.79 -0.27 1.44 0.01 -1.26 -3.90 113.70 107.59 2jtc s SER 134 Ca -0.06 -0.02 0.02 0.00 1.31 0.00 0.00 55.95 57.20 2jtc s SER 134 Cb 0.16 -1.21 0.06 0.00 0.21 0.00 0.00 66.02 65.24 2jtc s SER 134 CO 0.71 0.34 -0.09 -0.44 0.41 0.00 0.00 173.24 174.16 2jtc s SER 135 N -1.05 4.52 -0.11 2.44 0.01 -1.26 -4.62 113.70 113.63 2jtc s SER 135 Ca 0.14 -1.39 -0.02 0.00 1.31 0.00 0.00 55.95 55.99 2jtc s SER 135 Cb -0.11 -1.58 -0.03 0.00 0.21 0.00 0.00 66.02 64.51 2jtc s SER 135 CO 0.04 -0.20 -0.02 -0.83 0.41 0.00 0.00 173.24 172.64 2jtc s GLY 136 N 1.12 1.79 0.00 3.44 0.00 -0.85 -3.71 107.32 109.11 2jtc s GLY 136 Ca -0.08 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 43.82 2jtc s GLY 136 CO -0.04 -0.38 0.00 -1.26 0.00 0.00 0.00 173.10 171.41 2jtc n SER 137 N 2.69 1.79 -0.08 1.64 2.88 -1.26 0.64 113.62 121.91 2jtc n SER 137 Ca -0.18 -0.26 -0.10 0.00 -1.33 0.00 0.00 58.87 57.00 2jtc n SER 137 Cb 0.53 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.95 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 0.62 0.00 -1.46 0.00 -1.26 -2.88 120.51 112.53 2jtc n ALA 138 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.91 2jtc n ALA 138 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.35 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 1.53 0.36 0.43 0.00 0.00 -1.26 -2.21 105.19 104.05 2jtc n GLY 139 Ca -0.16 -1.25 -0.13 0.00 0.00 0.00 0.00 46.02 44.47 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 -1.61 -1.11 1.61 0.02 -1.93 1.29 113.55 111.83 2jtc h SER 140 Ca 0.00 0.21 0.31 0.00 -0.84 0.00 0.00 61.79 61.48 2jtc h SER 140 Cb 0.00 0.66 -0.11 0.00 0.14 0.00 0.00 62.40 63.09 2jtc h SER 140 CO 0.00 -0.43 0.70 0.77 -1.14 0.00 0.00 176.83 176.73 2jtc h SER 141 N -0.46 0.41 0.05 3.07 4.64 -1.96 2.10 113.55 121.40 2jtc h SER 141 Ca 0.08 0.11 -0.08 0.00 -0.47 0.00 0.00 61.79 61.43 2jtc h SER 141 Cb 0.63 0.06 0.01 0.00 -0.31 0.00 0.00 62.40 62.78 2jtc h SER 141 CO -0.50 -0.01 -0.36 0.03 -0.87 0.00 0.00 176.83 175.13 2jtc h ARG 142 N 0.31 0.11 0.41 4.77 2.47 -1.16 -2.88 114.38 118.42 2jtc h ARG 142 Ca 0.67 -0.20 -0.02 0.00 -1.26 0.00 0.00 59.98 59.17 2jtc h ARG 142 Cb 1.79 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 30.18 2jtc h ARG 142 CO -0.37 1.09 -0.20 0.28 0.56 0.00 0.00 179.97 181.34 2jtc h VAL 143 N -0.76 0.45 -0.60 2.04 2.07 0.44 1.30 116.25 121.20 2jtc h VAL 143 Ca -0.07 -0.57 0.09 0.00 0.82 0.00 0.00 66.70 66.97 2jtc h VAL 143 Cb 1.26 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.66 2jtc h VAL 143 CO 0.05 0.08 0.40 0.06 0.02 0.00 0.00 177.57 178.18 2jtc h GLN 144 N -0.94 0.41 0.03 1.57 -0.00 0.31 0.97 115.11 117.46 2jtc h GLN 144 Ca -0.06 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.65 58.57 2jtc h GLN 144 Cb 0.55 -0.09 0.00 0.00 -0.00 0.00 0.00 27.48 27.94 2jtc h GLN 144 CO 0.09 0.27 -0.02 -0.09 -0.00 0.00 0.00 178.83 179.09 2jtc h ARG 145 N 0.42 -0.04 -0.47 0.06 2.43 -1.35 -3.19 114.38 112.24 2jtc h ARG 145 Ca 0.27 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.40 2jtc h ARG 145 Cb 0.52 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 2jtc h ARG 145 CO -0.08 0.64 0.10 0.00 -1.51 0.00 0.00 179.97 179.12 2jtc h ALA 146 N -0.12 1.30 -0.31 2.80 0.00 0.22 0.54 119.26 123.69 2jtc h ALA 146 Ca -0.00 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.76 2jtc h ALA 146 Cb 0.70 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 2jtc h ALA 146 CO 0.01 0.49 0.06 -0.07 0.00 0.00 0.00 179.25 179.74 2jtc h LEU 147 N 0.69 0.02 0.16 0.00 3.38 0.86 0.13 115.31 120.55 2jtc h LEU 147 Ca 0.15 0.05 -0.35 0.00 0.09 0.00 0.00 57.88 57.82 2jtc h LEU 147 Cb 0.28 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2jtc h LEU 147 CO -0.00 0.05 -1.78 0.11 0.09 0.00 0.00 178.44 176.91 2jtc h LYS 148 N 0.18 0.34 0.27 1.13 1.57 -1.49 0.31 116.57 118.89 2jtc h LYS 148 Ca 0.14 -0.58 -0.01 0.00 -1.87 0.00 0.00 60.65 58.33 2jtc h LYS 148 Cb 0.15 0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2jtc h LYS 148 CO -0.19 1.25 -0.13 0.93 -0.57 0.00 0.00 179.45 180.74 2jtc h GLU 149 N 0.09 -0.35 0.09 3.15 5.08 0.15 -1.94 114.58 120.85 2jtc h GLU 149 Ca -0.35 0.02 -0.37 0.00 -1.00 0.00 0.00 59.36 57.67 2jtc h GLU 149 Cb 2.08 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 31.37 2jtc h GLU 149 CO 0.16 -0.02 -2.08 0.09 -1.00 0.00 0.00 179.01 176.16 2jtc n ASN 150 N -5.09 2.07 -1.38 1.42 5.03 0.35 -3.93 115.26 113.74 2jtc n ASN 150 Ca -0.09 0.15 0.11 0.00 0.87 0.00 0.00 54.58 55.62 2jtc n ASN 150 Cb 0.26 -0.77 0.33 0.00 -1.02 0.00 0.00 39.78 38.58 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 -3.51 1.04 -3.78 3.10 3.72 -0.50 -1.22 117.46 116.32 2jtc n PHE 151 Ca -0.36 -0.50 -0.31 0.00 -0.05 0.00 0.00 57.45 56.23 2jtc n PHE 151 Cb 1.01 -0.03 -0.06 0.00 -0.94 0.00 0.00 39.48 39.46 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 1.60 -0.33 3.63 1.37 0.00 0.04 -4.62 105.19 106.89 2jtc n GLY 152 Ca 0.25 0.05 -0.30 0.00 0.00 0.00 0.00 46.02 46.02 2jtc n GLY 152 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jtc s TYR 153 N -2.70 1.66 0.25 1.61 1.51 0.89 -4.81 117.35 115.76 2jtc s TYR 153 Ca 0.61 1.58 -0.29 0.00 -1.01 0.00 0.00 57.07 57.96 2jtc s TYR 153 Cb -0.36 -3.24 -0.15 0.00 -0.11 0.00 0.00 41.96 38.10 2jtc s TYR 153 CO 0.75 -3.01 0.93 -1.71 -1.11 0.00 0.00 175.55 171.40 2jtc n ASN 154 N -4.35 0.74 0.30 2.29 2.85 0.38 -4.61 115.26 112.86 2jtc n ASN 154 Ca 0.09 1.16 0.14 0.00 -0.11 0.00 0.00 54.58 55.86 2jtc n ASN 154 Cb 0.53 -1.20 0.76 0.00 1.24 0.00 0.00 39.78 41.11 2jtc n ASN 154 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 2jtc h GLN 155 N 2.00 0.00 0.00 1.20 5.75 -1.87 -0.00 115.11 122.19 2jtc h GLN 155 Ca -0.38 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.12 2jtc h GLN 155 Cb 1.36 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.91 2jtc h GLN 155 CO 0.61 0.00 0.32 0.66 -2.65 0.00 0.00 178.83 177.77 2jtc h SER 156 N 0.00 0.00 -2.35 -0.69 4.64 -1.84 -3.40 113.55 109.91 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 0.60 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.72 2jtc h SER 156 CO 0.00 0.00 1.10 0.52 -0.87 0.00 0.00 176.83 177.58 2jtc n VAL 157 N -2.61 0.45 -3.92 0.95 0.31 -0.02 -4.58 118.33 108.91 2jtc n VAL 157 Ca -0.02 -0.08 -0.09 0.00 -0.01 0.00 0.00 64.34 64.14 2jtc n VAL 157 Cb 0.35 -2.05 -0.09 0.00 -0.91 0.00 0.00 33.84 31.14 2jtc n VAL 157 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 2jtc s HIS 158 N 3.14 0.19 0.14 3.52 -3.43 -0.78 -4.99 115.29 113.08 2jtc s HIS 158 Ca 0.85 -0.49 0.02 0.00 -0.80 0.00 0.00 55.06 54.64 2jtc s HIS 158 Cb -0.54 -0.14 -0.04 0.00 -1.43 0.00 0.00 32.58 30.44 2jtc s HIS 158 CO 0.41 -0.37 0.25 -1.14 -2.00 0.00 0.00 174.74 171.90 2jtc s GLN 159 N -2.60 3.37 0.01 -0.38 0.74 -1.26 -0.52 119.66 119.01 2jtc s GLN 159 Ca -0.05 -0.61 0.02 0.00 0.05 0.00 0.00 55.36 54.77 2jtc s GLN 159 Cb -0.01 -2.94 -0.01 0.00 1.10 0.00 0.00 33.01 31.15 2jtc s GLN 159 CO -0.05 0.53 -0.06 0.96 -0.55 0.00 0.00 175.29 176.13 2jtc s ILE 160 N -1.71 0.45 -0.46 -2.34 -4.36 0.80 -4.92 121.20 108.66 2jtc s ILE 160 Ca 0.34 -0.43 -0.09 0.00 -0.26 0.00 0.00 60.65 60.22 2jtc s ILE 160 Cb -0.11 -0.41 0.11 0.00 1.25 0.00 0.00 42.46 43.30 2jtc s ILE 160 CO 0.28 -0.00 0.33 0.20 0.24 0.00 0.00 174.94 175.98 2jtc s ASN 161 N -0.47 5.67 0.33 4.36 0.01 -1.26 0.26 114.94 123.84 2jtc s ASN 161 Ca -0.01 -1.88 0.12 0.00 -0.71 0.00 0.00 52.86 50.38 2jtc s ASN 161 Cb -0.04 -2.00 1.03 0.00 0.41 0.00 0.00 41.25 40.66 2jtc s ASN 161 CO -0.00 -0.67 1.64 -0.09 -1.51 0.00 0.00 177.10 176.47 2jtc h ARG 162 N 8.42 0.23 0.00 -0.60 9.65 0.23 1.99 114.38 134.31 2jtc h ARG 162 Ca -0.21 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 58.66 2jtc h ARG 162 Cb 1.07 -0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 29.60 2jtc h ARG 162 CO 0.84 0.16 -0.00 0.78 2.80 0.00 0.00 179.97 184.54 2jtc h GLY 163 N 0.24 0.00 -1.60 2.80 0.00 -1.83 -1.61 103.07 101.07 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 -0.65 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.11 2jtc n ASP 164 N -3.54 2.68 -4.74 0.19 9.92 0.67 -4.99 116.55 116.74 2jtc n ASP 164 Ca -0.03 -1.82 -0.30 0.00 -0.53 0.00 0.00 54.79 52.11 2jtc n ASP 164 Cb 0.08 -0.03 -0.08 0.00 -0.64 0.00 0.00 41.12 40.46 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 -1.58 2.12 -0.15 1.24 0.40 -0.61 -4.99 117.98 114.42 2jtc s PHE 165 Ca 0.24 -0.81 -0.06 0.00 -0.60 0.00 0.00 56.93 55.70 2jtc s PHE 165 Cb 0.16 -1.74 -0.04 0.00 0.51 0.00 0.00 43.02 41.91 2jtc s PHE 165 CO 0.24 0.20 0.06 -1.54 0.70 0.00 0.00 175.22 174.88 2jtc s SER 166 N -3.88 5.66 0.19 1.36 1.04 -1.26 -4.88 113.70 111.92 2jtc s SER 166 Ca 0.22 0.17 0.03 0.00 0.48 0.00 0.00 55.95 56.84 2jtc s SER 166 Cb 0.04 -1.86 0.51 0.00 0.10 0.00 0.00 66.02 64.80 2jtc s SER 166 CO 0.12 0.27 0.93 1.17 0.98 0.00 0.00 173.24 176.71 2jtc n LYS 167 N 2.90 -0.05 0.26 4.02 4.81 -1.26 0.14 118.16 128.99 2jtc n LYS 167 Ca -0.18 0.88 -0.10 0.00 -0.87 0.00 0.00 58.31 58.04 2jtc n LYS 167 Cb 0.53 -1.43 -0.05 0.00 0.02 0.00 0.00 35.03 34.10 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 -0.66 0.00 1.64 1.08 -2.00 -1.25 115.11 113.92 2jtc h GLN 168 Ca 0.38 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.63 2jtc h GLN 168 Cb 0.83 0.15 0.00 0.00 -0.05 0.00 0.00 27.48 28.41 2jtc h GLN 168 CO -0.55 -0.44 0.00 -0.44 -0.95 0.00 0.00 178.83 176.46 2jtc h ASP 169 N -0.82 0.00 -0.02 1.46 5.19 -1.00 -2.14 116.42 119.09 2jtc h ASP 169 Ca -0.07 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.26 2jtc h ASP 169 Cb 0.52 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.04 2jtc h ASP 169 CO 0.11 0.00 -0.28 -0.25 -3.12 0.00 0.00 179.24 175.70 2jtc h TRP 170 N 0.00 0.33 -0.02 4.55 2.91 0.16 -3.10 115.95 120.78 2jtc h TRP 170 Ca 0.00 -0.16 -0.10 0.00 1.13 0.00 0.00 58.89 59.75 2jtc h TRP 170 Cb 0.13 -0.04 -0.01 0.00 -0.51 0.00 0.00 29.16 28.72 2jtc h TRP 170 CO 0.00 0.93 -0.47 0.93 -1.03 0.00 0.00 178.44 178.80 2jtc h GLU 171 N -0.37 0.05 -0.60 2.65 5.08 -0.68 -2.84 114.58 117.86 2jtc h GLU 171 Ca -0.03 -0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.39 2jtc h GLU 171 Cb 1.00 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.18 2jtc h GLU 171 CO 0.06 0.51 0.25 0.00 -1.00 0.00 0.00 179.01 178.83 2jtc h ALA 172 N 1.49 0.79 -0.91 3.43 0.00 -1.40 1.10 119.26 123.76 2jtc h ALA 172 Ca -0.00 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2jtc h ALA 172 Cb 0.85 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 2jtc h ALA 172 CO 0.06 -0.15 0.53 1.96 0.00 0.00 0.00 179.25 181.66 2jtc h GLN 173 N 0.46 1.25 0.18 0.00 1.08 -1.43 -1.31 115.11 115.35 2jtc h GLN 173 Ca 0.30 -0.13 -0.01 0.00 -1.45 0.00 0.00 58.65 57.36 2jtc h GLN 173 Cb 0.33 -0.26 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 2jtc h GLN 173 CO -0.27 0.89 -0.09 0.82 -0.95 0.00 0.00 178.83 179.23 2jtc h ILE 174 N 1.26 0.00 -0.70 2.54 2.04 -0.90 -2.97 117.51 118.79 2jtc h ILE 174 Ca 0.33 -0.73 0.15 0.00 1.00 0.00 0.00 64.86 65.61 2jtc h ILE 174 Cb -0.02 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 35.95 2jtc h ILE 174 CO -0.06 0.00 0.11 -0.78 0.00 0.00 0.00 178.15 177.42 2jtc h ASP 175 N -0.97 -0.11 -0.51 1.72 1.82 0.11 0.58 116.42 119.06 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 0.18 0.23 -0.09 0.00 0.68 0.00 0.00 39.33 40.34 2jtc h ASP 175 CO 0.04 -0.07 -0.01 0.50 -1.61 0.00 0.00 179.24 178.08 2jtc h LYS 176 N 0.21 0.10 -0.18 0.28 3.11 -1.35 2.11 116.57 120.86 2jtc h LYS 176 Ca 0.39 -0.01 0.04 0.00 -2.81 0.00 0.00 60.65 58.26 2jtc h LYS 176 Cb 0.65 -0.02 -0.05 0.00 -1.00 0.00 0.00 32.23 31.82 2jtc h LYS 176 CO -0.53 0.07 -0.11 0.93 -2.81 0.00 0.00 179.45 177.00 2jtc h GLU 177 N 0.10 -0.10 -0.17 1.90 4.39 0.20 -1.55 114.58 119.35 2jtc h GLU 177 Ca 0.26 0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.86 2jtc h GLU 177 Cb 0.39 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 2jtc h GLU 177 CO -0.44 -0.07 -0.34 -0.07 -1.16 0.00 0.00 179.01 176.93 2jtc h LEU 178 N -0.11 0.36 -1.92 1.33 3.38 0.15 0.31 115.31 118.81 2jtc h LEU 178 Ca 0.10 -0.14 0.23 0.00 0.09 0.00 0.00 57.88 58.16 2jtc h LEU 178 Cb 0.26 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 2jtc h LEU 178 CO -0.24 0.69 0.58 0.77 0.09 0.00 0.00 178.44 180.32 2jtc h SER 179 N 0.31 0.06 -0.91 -0.43 4.64 0.44 1.64 113.55 119.29 2jtc h SER 179 Ca 0.04 0.01 -0.53 0.00 -0.47 0.00 0.00 61.79 60.83 2jtc h SER 179 Cb 0.75 -0.01 -0.29 0.00 -0.31 0.00 0.00 62.40 62.55 2jtc h SER 179 CO 0.06 0.03 0.58 0.00 -0.87 0.00 0.00 176.83 176.62 2jtc n GLN 180 N -4.33 2.40 -4.37 4.77 6.02 -0.86 -4.88 117.38 116.13 2jtc n GLN 180 Ca 0.17 -3.17 -0.34 0.00 -0.01 0.00 0.00 57.00 53.64 2jtc n GLN 180 Cb 0.84 -2.18 -0.09 0.00 1.02 0.00 0.00 30.24 29.84 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 -1.05 -0.08 -3.99 1.08 4.13 0.56 -4.89 115.26 111.01 2jtc n ASN 181 Ca 0.57 -1.25 -0.31 0.00 1.68 0.00 0.00 54.58 55.28 2jtc n ASN 181 Cb 1.25 -1.71 -0.16 0.00 -1.54 0.00 0.00 39.78 37.62 2jtc n ASN 181 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 2jtc s GLN 182 N -7.29 1.94 1.10 3.52 -0.21 0.10 -4.95 119.66 113.88 2jtc s GLN 182 Ca 0.28 -1.02 -0.13 0.00 0.02 0.00 0.00 55.36 54.50 2jtc s GLN 182 Cb -0.16 -2.60 0.25 0.00 1.00 0.00 0.00 33.01 31.49 2jtc s GLN 182 CO 1.00 -0.52 1.06 -1.25 -2.12 0.00 0.00 175.29 173.45 2jtc s PRO 183 N 1.32 -0.39 -0.07 2.91 0.04 -1.26 -2.13 135.00 135.41 2jtc s PRO 183 Ca -0.05 0.67 0.05 0.00 0.04 0.00 0.00 61.00 61.71 2jtc s PRO 183 Cb -0.18 -1.63 -0.00 0.00 0.04 0.00 0.00 34.50 32.73 2jtc s PRO 183 CO -0.07 -3.33 -0.23 0.08 0.04 0.00 0.00 177.00 173.50 2jtc s VAL 184 N -2.69 1.94 -0.32 -0.36 1.01 0.66 -4.52 120.40 116.12 2jtc s VAL 184 Ca 0.67 -0.98 -0.28 0.00 0.00 0.00 0.00 61.98 61.40 2jtc s VAL 184 Cb -0.22 -1.66 0.01 0.00 0.00 0.00 0.00 36.38 34.51 2jtc s VAL 184 CO 0.62 0.54 1.01 -0.47 0.00 0.00 0.00 175.10 176.79 2jtc s TYR 185 N 0.11 3.15 0.22 5.22 6.14 -0.25 -1.17 117.35 130.78 2jtc s TYR 185 Ca -0.11 1.09 0.11 0.00 0.64 0.00 0.00 57.07 58.80 2jtc s TYR 185 Cb -0.15 -3.60 -0.05 0.00 0.42 0.00 0.00 41.96 38.58 2jtc s TYR 185 CO 0.06 -0.73 -0.20 -0.47 0.64 0.00 0.00 175.55 174.84 2jtc s TYR 186 N 3.51 2.11 -0.28 4.97 6.14 0.99 0.14 117.35 134.93 2jtc s TYR 186 Ca 0.42 -0.40 -0.21 0.00 0.64 0.00 0.00 57.07 57.52 2jtc s TYR 186 Cb -0.12 -0.99 0.12 0.00 0.42 0.00 0.00 41.96 41.39 2jtc s TYR 186 CO 0.15 0.52 0.96 1.14 0.64 0.00 0.00 175.55 178.96 2jtc s GLN 187 N -3.13 0.51 -0.47 4.97 -2.07 -0.63 0.15 119.66 118.99 2jtc s GLN 187 Ca 0.23 0.71 -0.10 0.00 -1.82 0.00 0.00 55.36 54.38 2jtc s GLN 187 Cb -0.05 0.20 0.12 0.00 -1.09 0.00 0.00 33.01 32.18 2jtc s GLN 187 CO 0.11 -0.08 0.35 0.20 -1.32 0.00 0.00 175.29 174.55 2jtc s GLY 188 N 0.71 2.03 0.94 2.60 0.00 0.19 -1.33 107.32 112.46 2jtc s GLY 188 Ca -0.02 -2.49 -0.12 0.00 0.00 0.00 0.00 44.72 42.09 2jtc s GLY 188 CO -0.10 1.10 1.09 0.14 0.00 0.00 0.00 173.10 175.34 2jtc s VAL 189 N 1.39 2.41 0.00 1.40 1.01 0.54 -2.83 120.40 124.32 2jtc s VAL 189 Ca 0.05 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.17 2jtc s VAL 189 Cb -0.26 -2.63 0.00 0.00 0.00 0.00 0.00 36.38 33.49 2jtc s VAL 189 CO -0.00 -0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.53 2jtc n GLY 190 N -1.14 1.55 0.12 4.51 0.00 -0.94 0.18 105.19 109.48 2jtc n GLY 190 Ca 0.06 0.22 -0.18 0.00 0.00 0.00 0.00 46.02 46.13 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 0.23 0.00 1.61 1.57 -1.92 -3.36 116.57 114.70 2jtc h LYS 191 Ca 0.00 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 2jtc h LYS 191 Cb 0.00 0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2jtc h LYS 191 CO 0.00 1.06 0.00 -0.39 -0.57 0.00 0.00 179.45 179.55 2jtc h VAL 192 N 0.06 0.00 0.00 0.50 -1.51 -1.96 -3.50 116.25 109.84 2jtc h VAL 192 Ca -0.34 -0.50 0.00 0.00 -1.23 0.00 0.00 66.70 64.63 2jtc h VAL 192 Cb 2.04 1.50 0.00 0.00 -2.13 0.00 0.00 31.29 32.70 2jtc h VAL 192 CO 0.12 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.07 2jtc n GLY 193 N 1.29 0.67 3.52 5.19 0.00 -1.26 -4.70 105.19 109.90 2jtc n GLY 193 Ca 0.05 -2.09 -0.42 0.00 0.00 0.00 0.00 46.02 43.57 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 1.14 -0.09 -0.02 0.00 -0.94 -2.20 107.32 105.21 2jtc s GLY 194 Ca 0.00 -1.44 -0.30 0.00 0.00 0.00 0.00 44.72 42.98 2jtc s GLY 194 CO 0.00 2.36 1.43 -1.58 0.00 0.00 0.00 173.10 175.32 2jtc s HIS 195 N 4.87 2.53 0.28 1.90 5.04 -1.13 -4.27 115.29 124.50 2jtc s HIS 195 Ca 0.31 0.67 0.09 0.00 -1.54 0.00 0.00 55.06 54.59 2jtc s HIS 195 Cb -0.11 -3.69 -0.04 0.00 0.04 0.00 0.00 32.58 28.78 2jtc s HIS 195 CO 0.15 -2.64 0.01 0.00 -2.34 0.00 0.00 174.74 169.92 2jtc s ALA 196 N 3.46 3.19 0.33 1.58 0.00 -1.26 0.53 121.76 129.59 2jtc s ALA 196 Ca 0.63 -1.68 -0.15 0.00 0.00 0.00 0.00 51.96 50.76 2jtc s ALA 196 Cb -0.28 -0.75 0.03 0.00 0.00 0.00 0.00 23.12 22.12 2jtc s ALA 196 CO 0.23 0.24 0.68 -0.59 0.00 0.00 0.00 175.76 176.31 2jtc s PHE 197 N -2.34 0.22 -0.05 0.00 -0.12 0.41 -3.06 117.98 113.03 2jtc s PHE 197 Ca 0.32 -0.73 0.06 0.00 -0.05 0.00 0.00 56.93 56.53 2jtc s PHE 197 Cb -0.06 0.57 -0.01 0.00 -0.63 0.00 0.00 43.02 42.89 2jtc s PHE 197 CO 0.20 -1.33 -0.24 0.08 -0.05 0.00 0.00 175.22 173.88 2jtc s VAL 198 N -3.09 1.94 -0.25 -2.49 1.01 -0.57 -0.01 120.40 116.93 2jtc s VAL 198 Ca 0.18 -1.00 -0.11 0.00 0.00 0.00 0.00 61.98 61.04 2jtc s VAL 198 Cb -0.04 -1.64 -0.05 0.00 0.00 0.00 0.00 36.38 34.65 2jtc s VAL 198 CO 0.11 0.54 0.18 -0.63 0.00 0.00 0.00 175.10 175.30 2jtc s ILE 199 N -0.16 5.34 -0.12 2.22 1.01 -0.31 0.10 121.20 129.28 2jtc s ILE 199 Ca -0.03 0.19 0.21 0.00 0.00 0.00 0.00 60.65 61.02 2jtc s ILE 199 Cb -0.13 -3.52 0.45 0.00 0.01 0.00 0.00 42.46 39.27 2jtc s ILE 199 CO 0.03 0.31 1.17 -0.90 0.00 0.00 0.00 174.94 175.55 2jtc n ASP 200 N 4.58 1.58 -3.65 3.58 5.68 0.15 -0.25 116.55 128.22 2jtc n ASP 200 Ca -0.15 -2.55 -0.02 0.00 -0.50 0.00 0.00 54.79 51.58 2jtc n ASP 200 Cb 0.52 -0.39 -0.01 0.00 -1.14 0.00 0.00 41.12 40.10 2jtc n ASP 200 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 2jtc s GLY 201 N -2.74 -0.34 -0.05 6.12 0.00 -1.23 0.26 107.32 109.33 2jtc s GLY 201 Ca 0.35 0.65 -0.18 0.00 0.00 0.00 0.00 44.72 45.54 2jtc s GLY 201 CO -0.11 0.16 0.41 0.00 0.00 0.00 0.00 173.10 173.56 2jtc s ALA 202 N -2.78 -1.04 -0.15 3.20 0.00 0.17 -2.13 121.76 119.03 2jtc s ALA 202 Ca 0.12 0.70 0.15 0.00 0.00 0.00 0.00 51.96 52.94 2jtc s ALA 202 Cb 0.01 -0.10 0.33 0.00 0.00 0.00 0.00 23.12 23.37 2jtc s ALA 202 CO -0.02 -0.27 1.17 -3.47 0.00 0.00 0.00 175.76 173.17 2jtc n ASP 203 N 1.51 1.94 -1.99 0.00 2.03 0.17 0.22 116.55 120.43 2jtc n ASP 203 Ca -0.19 -3.32 -0.03 0.00 0.52 0.00 0.00 54.79 51.76 2jtc n ASP 203 Cb 0.56 -0.45 -0.01 0.00 -0.72 0.00 0.00 41.12 40.50 2jtc n ASP 203 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jtc n GLY 204 N -1.18 -0.21 0.63 0.27 0.00 0.21 -4.59 105.19 100.33 2jtc n GLY 204 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.09 0.00 -1.00 1.61 1.74 -1.26 -4.60 116.66 111.05 2jtc n ARG 205 Ca -0.04 -1.02 0.00 0.00 -0.77 0.00 0.00 57.85 56.02 2jtc n ARG 205 Cb 0.38 -0.37 0.00 0.00 -1.02 0.00 0.00 32.46 31.45 2jtc n ARG 205 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2jtc n ASN 206 N 0.06 -2.84 -4.13 0.55 5.15 -1.26 -5.04 115.26 107.76 2jtc n ASN 206 Ca 0.00 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 53.69 2jtc n ASN 206 Cb 0.74 -0.48 -0.17 0.00 -0.53 0.00 0.00 39.78 39.33 2jtc n ASN 206 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 2jtc s PHE 207 N -2.00 2.18 0.32 1.20 0.08 -1.26 -4.87 117.98 113.63 2jtc s PHE 207 Ca 0.00 -0.94 0.10 0.00 0.12 0.00 0.00 56.93 56.21 2jtc s PHE 207 Cb 0.00 -1.51 -0.06 0.00 -0.57 0.00 0.00 43.02 40.88 2jtc s PHE 207 CO 0.00 -0.43 -0.12 0.71 -0.10 0.00 0.00 175.22 175.28 2jtc s TYR 208 N 0.63 2.31 -0.33 0.36 1.51 -1.14 0.43 117.35 121.12 2jtc s TYR 208 Ca -0.13 -0.47 -0.18 0.00 -1.01 0.00 0.00 57.07 55.27 2jtc s TYR 208 Cb -0.16 -1.24 -0.01 0.00 -0.11 0.00 0.00 41.96 40.44 2jtc s TYR 208 CO 0.04 0.59 0.51 -1.58 -1.11 0.00 0.00 175.55 174.00 2jtc s HIS 209 N -2.63 3.20 -0.05 2.71 2.46 -0.90 -1.31 115.29 118.77 2jtc s HIS 209 Ca 0.31 0.28 0.04 0.00 0.47 0.00 0.00 55.06 56.17 2jtc s HIS 209 Cb 0.01 -2.88 -0.03 0.00 -0.13 0.00 0.00 32.58 29.55 2jtc s HIS 209 CO 0.15 -0.48 -0.15 0.08 -2.47 0.00 0.00 174.74 171.87 2jtc s VAL 210 N 2.38 3.00 -0.64 0.89 1.01 0.11 0.32 120.40 127.46 2jtc s VAL 210 Ca 0.19 -0.75 -0.06 0.00 0.00 0.00 0.00 61.98 61.36 2jtc s VAL 210 Cb -0.15 -2.17 0.17 0.00 0.00 0.00 0.00 36.38 34.23 2jtc s VAL 210 CO 0.12 0.59 0.49 0.21 0.00 0.00 0.00 175.10 176.52 2jtc s ASN 211 N -0.73 5.68 0.90 3.32 3.84 0.29 -2.11 114.94 126.13 2jtc s ASN 211 Ca 0.11 -2.63 -0.13 0.00 0.21 0.00 0.00 52.86 50.42 2jtc s ASN 211 Cb -0.11 -1.96 0.08 0.00 -0.55 0.00 0.00 41.25 38.71 2jtc s ASN 211 CO 0.00 -0.48 -0.03 0.79 -2.79 0.00 0.00 177.10 174.59 2jtc n TRP 212 N 3.87 -1.87 0.41 0.43 5.03 -1.26 -1.51 117.44 122.54 2jtc n TRP 212 Ca 0.06 0.25 0.06 0.00 3.03 0.00 0.00 57.50 60.90 2jtc n TRP 212 Cb 0.41 -1.40 0.26 0.00 -1.03 0.00 0.00 31.31 29.54 2jtc n TRP 212 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 2jtc n GLY 213 N 2.66 -0.91 3.85 6.99 0.00 -1.17 -4.66 105.19 111.94 2jtc n GLY 213 Ca 0.03 -0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 2jtc n GLY 213 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2jtc s TRP 214 N -3.00 2.74 0.00 1.61 0.52 -1.26 -4.46 118.94 115.09 2jtc s TRP 214 Ca 0.06 -0.45 0.00 0.00 0.02 0.00 0.00 56.10 55.73 2jtc s TRP 214 Cb 0.08 -2.03 0.00 0.00 -1.15 0.00 0.00 33.47 30.37 2jtc s TRP 214 CO 0.22 0.01 0.68 0.41 0.02 0.00 0.00 176.95 178.29 2jtc n GLY 215 N -1.45 0.15 0.00 0.98 0.00 -1.16 -4.62 105.19 99.08 2jtc n GLY 215 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2jtc n GLY 215 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jtc n GLY 216 N -0.18 -0.33 0.00 -0.02 0.00 -1.26 -4.94 105.19 98.45 2jtc n GLY 216 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.10 0.00 -0.55 1.61 3.14 -1.26 -4.86 118.33 116.31 2jtc n VAL 217 Ca 0.00 0.00 -0.16 0.00 -2.96 0.00 0.00 64.34 61.22 2jtc n VAL 217 Cb 0.28 -0.45 -0.02 0.00 -1.06 0.00 0.00 33.84 32.59 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 3.65 -4.64 6.55 7.64 -1.26 -4.85 113.62 120.71 2jtc n SER 218 Ca 0.00 -2.21 -0.41 0.00 1.01 0.00 0.00 58.87 57.25 2jtc n SER 218 Cb 0.00 -0.92 -0.05 0.00 -1.01 0.00 0.00 64.21 62.23 2jtc n SER 218 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2jtc s ASP 219 N 3.64 6.74 0.00 6.43 1.11 -1.26 -4.75 116.67 128.58 2jtc s ASP 219 Ca 0.30 0.91 0.00 0.00 0.18 0.00 0.00 52.55 53.95 2jtc s ASP 219 Cb 0.08 -2.40 0.00 0.00 1.07 0.00 0.00 42.92 41.68 2jtc s ASP 219 CO -0.02 -0.45 0.00 0.61 1.18 0.00 0.00 175.17 176.49 2jtc n GLY 220 N 3.89 -0.72 3.66 0.21 0.00 -0.90 -4.99 105.19 106.34 2jtc n GLY 220 Ca 0.03 -0.40 -0.43 0.00 0.00 0.00 0.00 46.02 45.22 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 -4.00 2.83 0.12 1.61 0.08 -1.26 0.06 117.98 117.42 2jtc s PHE 221 Ca 0.00 0.99 0.02 0.00 0.12 0.00 0.00 56.93 58.06 2jtc s PHE 221 Cb 0.00 -3.52 -0.01 0.00 -0.57 0.00 0.00 43.02 38.92 2jtc s PHE 221 CO 0.00 -1.74 0.07 0.34 -0.10 0.00 0.00 175.22 173.79 2jtc n PHE 222 N 6.65 -0.09 -3.92 0.36 7.35 -0.43 -4.87 117.46 122.52 2jtc n PHE 222 Ca 0.14 -0.89 -0.22 0.00 -0.76 0.00 0.00 57.45 55.72 2jtc n PHE 222 Cb 0.45 0.04 -0.05 0.00 0.35 0.00 0.00 39.48 40.27 2jtc n PHE 222 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 2jtc s ARG 223 N -2.48 2.44 0.00 -4.13 0.52 -1.26 -2.90 118.95 111.13 2jtc s ARG 223 Ca 0.09 -1.56 0.13 0.00 -0.52 0.00 0.00 55.73 53.87 2jtc s ARG 223 Cb 0.00 -2.24 0.16 0.00 0.52 0.00 0.00 34.95 33.39 2jtc s ARG 223 CO 0.07 -0.02 1.00 1.28 0.02 0.00 0.00 175.30 177.65 2jtc n LEU 224 N -1.31 2.30 -0.07 2.53 7.99 -1.26 -4.44 117.00 122.74 2jtc n LEU 224 Ca -0.01 -1.19 -0.10 0.00 -0.01 0.00 0.00 56.01 54.70 2jtc n LEU 224 Cb 0.62 -0.05 -0.15 0.00 -0.11 0.00 0.00 43.42 43.73 2jtc n LEU 224 CO 0.43 0.46 -0.92 -0.67 -1.51 0.00 0.00 177.39 175.19 2jtc n ASP 225 N 0.75 0.49 -3.86 -1.43 2.03 -1.26 -4.68 116.55 108.59 2jtc n ASP 225 Ca 0.09 0.16 -0.29 0.00 0.52 0.00 0.00 54.79 55.26 2jtc n ASP 225 Cb 0.36 0.47 -0.13 0.00 -0.72 0.00 0.00 41.12 41.10 2jtc n ASP 225 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jtc s ALA 226 N -2.53 3.02 -0.82 -1.67 0.00 -1.26 -5.04 121.76 113.45 2jtc s ALA 226 Ca -0.09 -3.16 -0.19 0.00 0.00 0.00 0.00 51.96 48.52 2jtc s ALA 226 Cb 0.07 -2.07 0.13 0.00 0.00 0.00 0.00 23.12 21.25 2jtc s ALA 226 CO 0.82 -2.04 0.99 -0.51 0.00 0.00 0.00 175.76 175.02 2jtc s LEU 227 N -0.29 5.21 -0.22 0.00 2.01 -1.26 -4.73 118.68 119.41 2jtc s LEU 227 Ca 0.19 -1.87 -0.01 0.00 0.01 0.00 0.00 54.13 52.45 2jtc s LEU 227 Cb -0.21 -2.36 0.02 0.00 0.01 0.00 0.00 46.19 43.64 2jtc s LEU 227 CO -0.03 -1.07 -0.12 0.54 1.01 0.00 0.00 176.35 176.68 2jtc s ASN 228 N 3.46 3.85 0.55 2.29 4.22 -1.26 -4.94 114.94 123.11 2jtc s ASN 228 Ca 0.26 -0.72 -0.16 0.00 -2.14 0.00 0.00 52.86 50.09 2jtc s ASN 228 Cb -0.10 -1.60 -0.06 0.00 1.28 0.00 0.00 41.25 40.77 2jtc s ASN 228 CO -0.04 -0.06 1.02 -2.16 -2.04 0.00 0.00 177.10 173.82 2jtc s PRO 229 N 1.33 3.69 -0.23 3.55 0.04 -1.26 -5.01 135.00 137.10 2jtc s PRO 229 Ca 0.03 1.05 0.02 0.00 0.04 0.00 0.00 61.00 62.13 2jtc s PRO 229 Cb -0.15 -2.09 -0.19 0.00 0.04 0.00 0.00 34.50 32.11 2jtc s PRO 229 CO -0.08 -0.50 -0.12 0.45 0.04 0.00 0.00 177.00 176.80 2jtc n SER 230 N -1.79 1.86 -3.95 6.66 2.88 -1.26 -4.59 113.62 113.43 2jtc n SER 230 Ca 0.07 -0.08 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 2jtc n SER 230 Cb 0.54 -0.38 0.00 0.00 -0.75 0.00 0.00 64.21 63.62 2jtc n SER 230 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jtc n ALA 231 N -3.18 5.14 -0.07 -1.46 0.00 -1.26 -4.55 120.51 115.13 2jtc n ALA 231 Ca -0.43 -4.25 -0.04 0.00 0.00 0.00 0.00 53.44 48.72 2jtc n ALA 231 Cb 1.01 -3.06 -0.16 0.00 0.00 0.00 0.00 19.45 17.23 2jtc n ALA 231 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2jtc n LEU 232 N 4.44 0.01 -0.84 0.00 7.94 -1.26 -5.10 117.00 122.19 2jtc n LEU 232 Ca 0.41 0.01 0.08 0.00 -1.11 0.00 0.00 56.01 55.39 2jtc n LEU 232 Cb 0.38 0.35 -0.04 0.00 0.53 0.00 0.00 43.42 44.63 2jtc n LEU 232 CO 0.80 0.35 -0.35 0.61 -1.11 0.00 0.00 177.39 177.69 2jtc n GLY 233 N 1.60 -3.18 2.17 -3.96 0.00 -1.26 -4.27 105.19 96.29 2jtc n GLY 233 Ca -0.24 -1.18 -0.26 0.00 0.00 0.00 0.00 46.02 44.34 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 -3.04 3.28 0.00 2.61 -1.04 -1.26 -4.22 114.28 110.60 2jtc n THR 234 Ca -0.04 -2.40 0.00 0.00 -2.04 0.00 0.00 64.05 59.57 2jtc n THR 234 Cb 0.36 -0.71 0.00 0.00 -1.82 0.00 0.00 70.33 68.17 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 -1.06 0.21 0.00 3.41 0.00 -1.26 -4.78 105.19 101.71 2jtc n GLY 235 Ca 0.58 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.69 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 4.20 -0.98 3.71 -0.02 0.00 -1.26 -4.76 105.19 106.08 2jtc n GLY 236 Ca 0.00 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 2jtc n GLY 236 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jtc s GLY 237 N -1.55 2.46 0.23 -0.02 0.00 -1.26 -4.57 107.32 102.62 2jtc s GLY 237 Ca 0.25 -0.06 0.05 0.00 0.00 0.00 0.00 44.72 44.96 2jtc s GLY 237 CO 0.20 0.99 0.32 0.00 0.00 0.00 0.00 173.10 174.60 2jtc s ALA 238 N 0.81 3.86 0.00 3.20 0.00 -1.26 -4.81 121.76 123.56 2jtc s ALA 238 Ca 0.31 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 51.02 2jtc s ALA 238 Cb -0.16 -1.65 0.00 0.00 0.00 0.00 0.00 23.12 21.31 2jtc s ALA 238 CO 0.14 0.27 0.10 0.41 0.00 0.00 0.00 175.76 176.68 2jtc n GLY 239 N -1.29 -1.67 3.65 0.00 0.00 -1.26 -4.40 105.19 100.21 2jtc n GLY 239 Ca -0.09 0.08 -0.50 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.16 0.89 2.20 -0.02 0.00 -1.26 -4.87 105.19 101.98 2jtc n GLY 240 Ca 0.00 0.72 -0.22 0.00 0.00 0.00 0.00 46.02 46.52 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 3.66 2.73 -3.26 1.61 -0.00 -1.26 -4.70 117.46 116.24 2jtc n PHE 241 Ca 0.19 -2.42 -0.25 0.00 -0.00 0.00 0.00 57.45 54.97 2jtc n PHE 241 Cb 0.24 -0.28 -0.07 0.00 -0.00 0.00 0.00 39.48 39.37 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 -0.64 0.98 -0.04 -2.13 4.05 -1.23 -4.54 115.26 111.70 2jtc n ASN 242 Ca 0.39 -2.85 -0.00 0.00 0.45 0.00 0.00 54.58 52.57 2jtc n ASN 242 Cb 0.89 -0.64 -0.00 0.00 1.23 0.00 0.00 39.78 41.25 2jtc n ASN 242 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 177.26 175.44 2jtc h GLY 243 N 4.14 0.00 -7.20 8.20 0.00 0.17 -3.46 103.07 104.92 2jtc h GLY 243 Ca 0.11 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.93 2jtc h GLY 243 CO 0.54 0.00 -0.76 -0.19 0.00 0.00 0.00 176.54 176.13 2jtc s TYR 244 N -1.45 0.82 -0.06 5.60 2.02 -1.10 -4.89 117.35 118.29 2jtc s TYR 244 Ca -0.00 -0.76 -0.17 0.00 -0.37 0.00 0.00 57.07 55.77 2jtc s TYR 244 Cb 0.00 -0.97 -0.05 0.00 -0.40 0.00 0.00 41.96 40.55 2jtc s TYR 244 CO 0.00 -0.60 0.47 -0.65 -1.57 0.00 0.00 175.55 173.20 2jtc s GLN 245 N 1.93 4.21 0.10 -0.62 -0.21 -1.26 -0.34 119.66 123.47 2jtc s GLN 245 Ca 0.01 0.47 -0.24 0.00 0.02 0.00 0.00 55.36 55.61 2jtc s GLN 245 Cb -0.17 -3.36 0.07 0.00 1.00 0.00 0.00 33.01 30.55 2jtc s GLN 245 CO -0.10 0.36 0.59 -1.54 -2.12 0.00 0.00 175.29 172.48 2jtc s SER 246 N -0.03 -0.55 0.15 5.90 1.04 -0.44 0.93 113.70 120.69 2jtc s SER 246 Ca 0.26 0.14 -0.01 0.00 0.48 0.00 0.00 55.95 56.82 2jtc s SER 246 Cb -0.16 0.57 -0.04 0.00 0.10 0.00 0.00 66.02 66.49 2jtc s SER 246 CO 0.12 -0.86 0.08 0.00 0.98 0.00 0.00 173.24 173.56 2jtc s ALA 247 N -3.09 0.92 -0.23 5.32 0.00 0.71 -1.61 121.76 123.79 2jtc s ALA 247 Ca -0.02 -1.52 0.02 0.00 0.00 0.00 0.00 51.96 50.44 2jtc s ALA 247 Cb -0.01 0.99 0.04 0.00 0.00 0.00 0.00 23.12 24.15 2jtc s ALA 247 CO -0.07 -0.52 -0.14 0.08 0.00 0.00 0.00 175.76 175.12 2jtc s VAL 248 N -4.07 2.23 0.08 0.00 1.01 0.37 0.28 120.40 120.30 2jtc s VAL 248 Ca 0.28 -1.28 0.07 0.00 0.00 0.00 0.00 61.98 61.05 2jtc s VAL 248 Cb 0.07 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 2jtc s VAL 248 CO 0.04 0.22 -0.15 0.68 0.00 0.00 0.00 175.10 175.90 2jtc s VAL 249 N 1.21 3.06 0.00 2.92 -7.23 0.32 -1.09 120.40 119.59 2jtc s VAL 249 Ca -0.02 -1.26 0.00 0.00 -1.81 0.00 0.00 61.98 58.89 2jtc s VAL 249 Cb -0.17 -2.37 0.00 0.00 0.56 0.00 0.00 36.38 34.40 2jtc s VAL 249 CO -0.08 0.21 0.00 0.61 -0.31 0.00 0.00 175.10 175.53 2jtc n GLY 250 N 1.08 0.63 3.27 2.32 0.00 -1.26 -1.87 105.19 109.36 2jtc n GLY 250 Ca -0.15 -0.10 -0.44 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.62 4.89 -0.15 -0.61 1.01 -1.26 -1.53 121.20 121.93 2jtc s ILE 251 Ca 0.00 -2.02 -0.29 0.00 0.00 0.00 0.00 60.65 58.34 2jtc s ILE 251 Cb 0.00 -4.12 0.09 0.00 0.01 0.00 0.00 42.46 38.44 2jtc s ILE 251 CO 0.00 -0.89 0.82 -1.59 0.00 0.00 0.00 174.94 173.28 2jtc s LYS 252 N 0.94 0.82 0.00 2.79 -2.85 -1.26 -4.92 119.74 115.26 2jtc s LYS 252 Ca 0.10 0.41 0.28 0.00 -1.00 0.00 0.00 55.97 55.76 2jtc s LYS 252 Cb -0.22 0.39 1.66 0.00 -2.06 0.00 0.00 37.83 37.60 2jtc s LYS 252 CO -0.02 -0.21 2.00 -0.35 0.10 0.00 0.00 175.35 176.87