#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jtc s PRO 2 N 0.00 2.84 0.01 3.69 0.04 -1.26 -4.03 135.00 136.29 2jtc s PRO 2 Ca 0.00 0.59 -0.12 0.00 0.04 0.00 0.00 61.00 61.51 2jtc s PRO 2 Cb 0.00 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 2jtc s PRO 2 CO 0.00 -1.08 0.37 0.08 0.04 0.00 0.00 177.00 176.41 2jtc s VAL 3 N -3.26 5.12 -0.04 -0.36 1.01 -1.26 -2.06 120.40 119.55 2jtc s VAL 3 Ca 0.58 0.60 0.02 0.00 0.00 0.00 0.00 61.98 63.18 2jtc s VAL 3 Cb -0.12 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.63 2jtc s VAL 3 CO 0.53 0.48 -0.07 -0.69 0.00 0.00 0.00 175.10 175.35 2jtc s VAL 4 N -1.19 0.70 1.07 2.92 1.01 0.64 -4.80 120.40 120.76 2jtc s VAL 4 Ca 0.26 -0.25 -0.17 0.00 0.00 0.00 0.00 61.98 61.81 2jtc s VAL 4 Cb -0.15 -0.68 0.24 0.00 0.00 0.00 0.00 36.38 35.79 2jtc s VAL 4 CO 0.14 0.25 1.23 -0.54 0.00 0.00 0.00 175.10 176.17 2jtc s LYS 5 N 0.64 -0.20 -0.63 2.72 -0.14 -1.26 0.18 119.74 121.06 2jtc s LYS 5 Ca -0.10 -0.25 -0.27 0.00 -1.36 0.00 0.00 55.97 53.99 2jtc s LYS 5 Cb -0.13 -1.73 0.02 0.00 -1.68 0.00 0.00 37.83 34.31 2jtc s LYS 5 CO 0.01 -3.00 1.38 -1.54 -0.76 0.00 0.00 175.35 171.44 2jtc s SER 6 N -4.44 6.10 0.10 2.83 1.04 -1.20 -3.21 113.70 114.92 2jtc s SER 6 Ca 0.72 0.02 -0.26 0.00 0.48 0.00 0.00 55.95 56.91 2jtc s SER 6 Cb -0.07 -2.55 -0.13 0.00 0.10 0.00 0.00 66.02 63.38 2jtc s SER 6 CO 0.54 -1.78 1.68 -0.07 0.98 0.00 0.00 173.24 174.59 2jtc h LEU 7 N 13.22 -0.43 -0.91 2.42 3.38 0.40 0.95 115.31 134.34 2jtc h LEU 7 Ca -0.27 0.04 0.11 0.00 0.09 0.00 0.00 57.88 57.84 2jtc h LEU 7 Cb 1.08 0.14 -0.08 0.00 0.09 0.00 0.00 40.66 41.89 2jtc h LEU 7 CO 1.22 -0.25 0.55 -0.07 0.09 0.00 0.00 178.44 179.97 2jtc h LEU 8 N -0.37 0.79 -0.36 1.67 3.38 -1.89 -0.50 115.31 118.03 2jtc h LEU 8 Ca -0.00 0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 2jtc h LEU 8 Cb 0.34 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2jtc h LEU 8 CO -0.02 0.44 -0.24 -0.78 0.09 0.00 0.00 178.44 177.92 2jtc h ASP 9 N 0.89 0.84 0.00 -0.43 1.82 -1.57 0.64 116.42 118.61 2jtc h ASP 9 Ca 0.44 -0.43 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 2jtc h ASP 9 Cb 0.41 -0.23 0.00 0.00 0.68 0.00 0.00 39.33 40.19 2jtc h ASP 9 CO -0.25 1.09 0.06 0.77 -1.61 0.00 0.00 179.24 179.29 2jtc h SER 10 N 0.60 0.00 -0.10 2.28 4.64 0.25 0.42 113.55 121.63 2jtc h SER 10 Ca 0.07 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.38 2jtc h SER 10 Cb 0.80 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.89 2jtc h SER 10 CO 0.07 0.00 -0.07 0.29 -0.87 0.00 0.00 176.83 176.25 2jtc n LYS 11 N -2.25 1.79 -3.23 4.77 5.02 -0.65 -4.94 118.16 118.67 2jtc n LYS 11 Ca -0.01 -2.79 -0.18 0.00 -2.02 0.00 0.00 58.31 53.31 2jtc n LYS 11 Cb 0.09 -1.63 -0.02 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 -1.13 -0.47 3.53 0.72 0.00 0.15 -4.70 105.19 103.28 2jtc n GLY 12 Ca 0.19 0.04 -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 -2.65 4.53 -0.45 -0.61 1.01 0.22 -2.17 121.20 121.08 2jtc s ILE 13 Ca 0.31 0.39 0.03 0.00 0.00 0.00 0.00 60.65 61.38 2jtc s ILE 13 Cb -0.18 -4.42 0.16 0.00 0.01 0.00 0.00 42.46 38.03 2jtc s ILE 13 CO 0.39 -0.88 0.32 -1.00 0.00 0.00 0.00 174.94 173.77 2jtc s HIS 14 N 3.58 1.59 0.72 3.97 3.76 0.81 -4.51 115.29 125.21 2jtc s HIS 14 Ca 0.31 -2.39 -0.02 0.00 -0.15 0.00 0.00 55.06 52.81 2jtc s HIS 14 Cb -0.12 -1.38 0.12 0.00 1.11 0.00 0.00 32.58 32.30 2jtc s HIS 14 CO 0.22 -0.77 1.00 0.71 -0.85 0.00 0.00 174.74 175.04 2jtc s TYR 15 N 0.04 1.85 0.00 1.40 1.51 -1.25 -3.67 117.35 117.23 2jtc s TYR 15 Ca 0.26 -0.13 0.00 0.00 -1.01 0.00 0.00 57.07 56.19 2jtc s TYR 15 Cb -0.07 -3.08 0.00 0.00 -0.11 0.00 0.00 41.96 38.69 2jtc s TYR 15 CO -0.12 -1.67 0.00 -1.71 -1.11 0.00 0.00 175.55 170.94 2jtc n ASN 16 N -2.87 0.00 0.00 2.29 2.85 -1.26 -4.68 115.26 111.59 2jtc n ASN 16 Ca 0.14 -0.47 0.00 0.00 -0.11 0.00 0.00 54.58 54.14 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 2.29 -0.02 1.20 6.02 -1.26 -4.71 117.38 120.90 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 -0.77 -0.02 0.00 1.02 0.00 0.00 30.24 30.46 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 1.67 -0.10 0.00 1.08 0.00 -1.26 -1.21 105.19 105.37 2jtc n GLY 18 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2jtc n GLY 18 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2jtc n ASN 19 N -2.49 0.00 0.00 1.61 4.05 -1.26 -3.51 115.26 113.66 2jtc n ASN 19 Ca -0.08 0.00 0.07 0.00 0.45 0.00 0.00 54.58 55.02 2jtc n ASN 19 Cb 0.60 0.00 0.42 0.00 1.23 0.00 0.00 39.78 42.03 2jtc n ASN 19 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 2jtc n PRO 20 N 0.00 0.71 0.08 1.20 -0.04 -1.26 -2.54 135.00 133.15 2jtc n PRO 20 Ca 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.36 2jtc n PRO 20 Cb 0.00 -1.31 -0.09 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 0.23 -0.47 0.54 -1.99 -1.87 -3.15 116.97 110.25 2jtc h TYR 21 Ca 0.00 -0.16 -0.12 0.00 2.00 0.00 0.00 58.73 60.45 2jtc h TYR 21 Cb 0.00 -0.01 -0.07 0.00 2.00 0.00 0.00 36.73 38.64 2jtc h TYR 21 CO 0.00 1.07 0.15 0.27 -0.00 0.00 0.00 178.16 179.66 2jtc n ASN 22 N -3.49 3.85 0.00 3.88 6.94 -1.05 -4.16 115.26 121.23 2jtc n ASN 22 Ca -0.04 -2.76 0.13 0.00 -0.02 0.00 0.00 54.58 51.90 2jtc n ASN 22 Cb 0.93 -0.66 0.77 0.00 -2.36 0.00 0.00 39.78 38.46 2jtc n ASN 22 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2jtc n LEU 23 N 0.05 0.00 -0.15 -4.53 4.77 -1.19 -3.11 117.00 112.84 2jtc n LEU 23 Ca 0.25 0.07 0.01 0.00 -0.03 0.00 0.00 56.01 56.31 2jtc n LEU 23 Cb 1.01 -0.07 0.02 0.00 -2.33 0.00 0.00 43.42 42.05 2jtc n LEU 23 CO 0.28 -0.01 0.33 0.18 -1.33 0.00 0.00 177.39 176.84 2jtc n LEU 24 N -1.07 0.63 -4.90 2.23 4.77 -1.26 -4.98 117.00 112.43 2jtc n LEU 24 Ca 0.19 -1.01 -0.29 0.00 -0.03 0.00 0.00 56.01 54.87 2jtc n LEU 24 Cb 0.12 -0.05 0.03 0.00 -2.33 0.00 0.00 43.42 41.19 2jtc n LEU 24 CO 0.16 0.24 0.65 0.42 -1.33 0.00 0.00 177.39 177.54 2jtc s THR 25 N -0.52 3.75 0.21 -5.08 -4.23 -1.18 -4.74 115.64 103.86 2jtc s THR 25 Ca 0.04 0.33 -0.30 0.00 -1.18 0.00 0.00 61.69 60.58 2jtc s THR 25 Cb 0.03 -3.53 -0.09 0.00 1.34 0.00 0.00 72.50 70.25 2jtc s THR 25 CO 0.00 -0.64 1.34 -2.16 -0.54 0.00 0.00 174.62 172.62 2jtc s PRO 26 N -5.17 4.36 0.44 3.99 0.04 -1.26 -4.63 135.00 132.76 2jtc s PRO 26 Ca 0.56 2.11 -0.21 0.00 0.04 0.00 0.00 61.00 63.50 2jtc s PRO 26 Cb -0.11 -3.17 -0.10 0.00 0.04 0.00 0.00 34.50 31.15 2jtc s PRO 26 CO 0.49 -0.29 0.97 0.08 0.04 0.00 0.00 177.00 178.30 2jtc s VAL 27 N 0.06 4.25 0.42 -0.36 1.01 -1.26 -1.20 120.40 123.32 2jtc s VAL 27 Ca 0.57 1.42 -0.22 0.00 0.00 0.00 0.00 61.98 63.75 2jtc s VAL 27 Cb -0.38 -3.59 -0.10 0.00 0.00 0.00 0.00 36.38 32.32 2jtc s VAL 27 CO 0.39 -0.28 0.98 -0.63 0.00 0.00 0.00 175.10 175.56 2jtc s ILE 28 N -2.11 4.14 0.00 2.22 1.01 0.13 -4.83 121.20 121.77 2jtc s ILE 28 Ca 0.63 1.44 0.00 0.00 0.00 0.00 0.00 60.65 62.72 2jtc s ILE 28 Cb -0.11 -3.65 0.00 0.00 0.01 0.00 0.00 42.46 38.71 2jtc s ILE 28 CO 0.15 -0.18 0.00 -0.62 0.00 0.00 0.00 174.94 174.29 2jtc n GLU 29 N -0.43 1.93 -4.51 2.79 -0.58 0.89 0.75 120.64 121.47 2jtc n GLU 29 Ca 0.06 0.00 -0.25 0.00 -0.42 0.00 0.00 57.16 56.56 2jtc n GLU 29 Cb 0.52 -0.85 -0.10 0.00 -0.57 0.00 0.00 31.44 30.44 2jtc n GLU 29 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2jtc s LYS 30 N -1.43 1.75 0.14 3.49 1.02 0.25 -4.80 119.74 120.15 2jtc s LYS 30 Ca 0.00 -1.89 0.08 0.00 0.02 0.00 0.00 55.97 54.18 2jtc s LYS 30 Cb 0.00 -1.59 -0.04 0.00 -0.52 0.00 0.00 37.83 35.68 2jtc s LYS 30 CO 0.00 0.13 -0.12 0.08 -0.92 0.00 0.00 175.35 174.52 2jtc s VAL 31 N -2.69 3.17 0.64 3.17 1.01 -1.17 -4.24 120.40 120.28 2jtc s VAL 31 Ca 0.32 -1.47 -0.11 0.00 0.00 0.00 0.00 61.98 60.71 2jtc s VAL 31 Cb 0.02 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 2jtc s VAL 31 CO 0.15 0.03 1.04 -0.75 0.00 0.00 0.00 175.10 175.57 2jtc s LYS 32 N -2.42 3.41 -0.37 2.72 2.36 -1.26 -4.77 119.74 119.41 2jtc s LYS 32 Ca 0.22 0.77 -0.27 0.00 -2.55 0.00 0.00 55.97 54.14 2jtc s LYS 32 Cb -0.10 -2.06 0.02 0.00 -1.05 0.00 0.00 37.83 34.64 2jtc s LYS 32 CO 0.13 -0.71 1.01 -1.25 1.55 0.00 0.00 175.35 176.08 2jtc s PRO 33 N -5.16 3.89 0.00 4.03 0.04 -1.26 -3.10 135.00 133.44 2jtc s PRO 33 Ca 0.56 0.73 0.00 0.00 0.04 0.00 0.00 61.00 62.33 2jtc s PRO 33 Cb -0.12 -3.80 0.00 0.00 0.04 0.00 0.00 34.50 30.62 2jtc s PRO 33 CO 0.54 -1.00 0.00 0.41 0.04 0.00 0.00 177.00 176.99 2jtc n GLY 34 N 4.30 0.76 3.49 0.56 0.00 -1.26 -5.05 105.19 107.98 2jtc n GLY 34 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 2jtc n GLY 34 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jtc s GLU 35 N -0.54 1.72 1.28 1.61 2.56 -1.18 -5.13 118.70 119.03 2jtc s GLU 35 Ca 0.00 -1.78 -0.17 0.00 0.00 0.00 0.00 54.97 53.02 2jtc s GLU 35 Cb 0.00 -1.78 0.32 0.00 2.00 0.00 0.00 34.13 34.68 2jtc s GLU 35 CO 0.00 0.30 0.98 -0.65 -0.56 0.00 0.00 175.26 175.34 2jtc s GLN 36 N -3.53 -1.82 0.02 4.30 -0.21 -1.26 -4.64 119.66 112.51 2jtc s GLN 36 Ca 0.30 0.56 -0.27 0.00 0.02 0.00 0.00 55.36 55.98 2jtc s GLN 36 Cb -0.04 -1.47 -0.04 0.00 1.00 0.00 0.00 33.01 32.46 2jtc s GLN 36 CO 0.15 -4.25 0.84 0.45 -2.12 0.00 0.00 175.29 170.36 2jtc s SER 37 N -2.71 7.24 -0.07 5.90 0.15 -1.26 -4.43 113.70 118.52 2jtc s SER 37 Ca 0.69 1.50 0.11 0.00 0.70 0.00 0.00 55.95 58.94 2jtc s SER 37 Cb -0.21 -2.50 0.16 0.00 -1.71 0.00 0.00 66.02 61.76 2jtc s SER 37 CO 0.63 -0.11 1.08 0.49 1.20 0.00 0.00 173.24 176.53 2jtc n PHE 38 N 3.34 0.00 -1.95 3.44 3.72 -1.26 -5.00 117.46 119.76 2jtc n PHE 38 Ca 0.01 -0.78 -0.41 0.00 -0.05 0.00 0.00 57.45 56.22 2jtc n PHE 38 Cb 0.51 -0.11 -0.02 0.00 -0.94 0.00 0.00 39.48 38.92 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 -2.04 2.44 0.00 -4.37 1.01 -1.26 -1.19 120.40 114.98 2jtc s VAL 39 Ca 0.18 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.56 2jtc s VAL 39 Cb 0.16 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 33.28 2jtc s VAL 39 CO 0.02 0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.81 2jtc n GLY 40 N 1.44 2.10 3.71 4.51 0.00 0.23 -4.90 105.19 112.28 2jtc n GLY 40 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.16 4.53 -0.39 1.61 -0.21 -0.34 -4.64 119.66 120.07 2jtc s GLN 41 Ca 0.00 1.56 -0.29 0.00 0.02 0.00 0.00 55.36 56.65 2jtc s GLN 41 Cb 0.00 -3.40 0.00 0.00 1.00 0.00 0.00 33.01 30.61 2jtc s GLN 41 CO 0.00 -0.09 1.51 -1.01 -2.12 0.00 0.00 175.29 173.59 2jtc s HIS 42 N 0.85 2.24 0.95 0.91 3.76 -1.26 0.19 115.29 122.92 2jtc s HIS 42 Ca 0.54 0.66 -0.13 0.00 -0.15 0.00 0.00 55.06 55.97 2jtc s HIS 42 Cb -0.25 -4.27 0.03 0.00 1.11 0.00 0.00 32.58 29.21 2jtc s HIS 42 CO 0.29 -2.24 0.38 0.00 -0.85 0.00 0.00 174.74 172.32 2jtc n ALA 43 N 9.20 -2.64 -1.80 -1.40 0.00 -0.34 -4.89 120.51 118.63 2jtc n ALA 43 Ca 0.18 -0.61 -0.29 0.00 0.00 0.00 0.00 53.44 52.72 2jtc n ALA 43 Cb 0.48 -1.79 0.09 0.00 0.00 0.00 0.00 19.45 18.23 2jtc n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jtc s ALA 44 N -2.38 2.50 0.09 0.00 0.00 -1.02 -4.69 121.76 116.27 2jtc s ALA 44 Ca 0.57 -0.52 -0.04 0.00 0.00 0.00 0.00 51.96 51.96 2jtc s ALA 44 Cb -0.21 -3.00 -0.23 0.00 0.00 0.00 0.00 23.12 19.68 2jtc s ALA 44 CO 0.68 -1.68 1.19 1.79 0.00 0.00 0.00 175.76 177.74 2jtc h THR 45 N -1.05 1.47 0.00 0.00 1.35 -1.49 -3.42 112.91 109.77 2jtc h THR 45 Ca -0.47 -2.89 0.00 0.00 -0.55 0.00 0.00 66.41 62.50 2jtc h THR 45 Cb 1.31 2.80 0.00 0.00 -1.73 0.00 0.00 68.15 70.53 2jtc h THR 45 CO 0.64 0.85 0.00 0.61 -0.25 0.00 0.00 175.52 177.37 2jtc n GLY 46 N 1.37 2.81 0.15 5.82 0.00 -1.25 -4.41 105.19 109.69 2jtc n GLY 46 Ca -0.08 -1.44 -0.07 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.44 1.61 4.64 -1.89 0.45 113.55 117.58 2jtc h SER 47 Ca 0.00 0.09 0.08 0.00 -0.47 0.00 0.00 61.79 61.49 2jtc h SER 47 Cb 0.00 0.20 -0.10 0.00 -0.31 0.00 0.00 62.40 62.20 2jtc h SER 47 CO 0.00 -0.13 -0.39 0.58 -0.87 0.00 0.00 176.83 176.03 2jtc h VAL 48 N -0.05 0.15 -0.20 0.95 2.07 -1.79 1.15 116.25 118.53 2jtc h VAL 48 Ca 0.13 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.66 2jtc h VAL 48 Cb 0.25 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 2jtc h VAL 48 CO -0.30 0.00 0.12 0.00 0.02 0.00 0.00 177.57 177.41 2jtc h ALA 49 N 0.62 0.25 -0.83 1.67 0.00 -1.40 0.43 119.26 120.00 2jtc h ALA 49 Ca 0.16 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2jtc h ALA 49 Cb 0.57 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 2jtc h ALA 49 CO -0.59 -0.29 0.47 1.15 0.00 0.00 0.00 179.25 179.99 2jtc h THR 50 N 0.25 1.24 -0.35 0.00 2.02 0.14 1.23 112.91 117.44 2jtc h THR 50 Ca 0.08 -0.57 -0.13 0.00 0.77 0.00 0.00 66.41 66.56 2jtc h THR 50 Cb -0.01 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.49 2jtc h THR 50 CO -0.03 0.26 -0.29 0.00 0.37 0.00 0.00 175.52 175.83 2jtc h ALA 51 N 1.36 0.83 0.33 6.16 0.00 0.18 0.41 119.26 128.52 2jtc h ALA 51 Ca 0.29 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2jtc h ALA 51 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2jtc h ALA 51 CO -0.05 0.64 -0.16 1.15 0.00 0.00 0.00 179.25 180.83 2jtc h THR 52 N 0.63 0.47 -0.88 0.00 2.02 0.17 -2.29 112.91 113.03 2jtc h THR 52 Ca 0.07 -0.76 0.19 0.00 0.77 0.00 0.00 66.41 66.69 2jtc h THR 52 Cb 0.81 0.75 -0.07 0.00 -1.74 0.00 0.00 68.15 67.90 2jtc h THR 52 CO 0.07 0.11 0.59 0.00 0.37 0.00 0.00 175.52 176.65 2jtc h ALA 53 N -0.63 2.18 0.68 6.16 0.00 0.15 0.98 119.26 128.78 2jtc h ALA 53 Ca -0.04 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2jtc h ALA 53 Cb 0.51 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.27 2jtc h ALA 53 CO 0.07 -0.45 -0.33 1.96 0.00 0.00 0.00 179.25 180.51 2jtc h GLN 54 N 0.42 -0.88 -0.29 0.00 4.20 -0.81 0.17 115.11 117.93 2jtc h GLN 54 Ca 0.46 0.06 0.08 0.00 0.06 0.00 0.00 58.65 59.31 2jtc h GLN 54 Cb 1.11 0.20 -0.01 0.00 0.30 0.00 0.00 27.48 29.08 2jtc h GLN 54 CO -0.17 -0.58 0.21 0.82 -0.67 0.00 0.00 178.83 178.43 2jtc h ILE 55 N -1.05 0.87 -0.19 2.54 2.04 -0.74 1.00 117.51 121.98 2jtc h ILE 55 Ca -0.09 -0.01 -0.04 0.00 1.00 0.00 0.00 64.86 65.72 2jtc h ILE 55 Cb 0.70 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 2jtc h ILE 55 CO 0.15 0.00 -0.05 0.24 0.00 0.00 0.00 178.15 178.49 2jtc h MET 56 N 0.02 0.29 -0.05 2.37 2.86 0.15 -2.06 114.93 118.51 2jtc h MET 56 Ca 0.14 -0.05 -0.16 0.00 -2.06 0.00 0.00 59.70 57.56 2jtc h MET 56 Cb 0.52 -0.05 0.01 0.00 0.06 0.00 0.00 31.60 32.15 2jtc h MET 56 CO -0.00 0.36 -0.60 -0.22 1.06 0.00 0.00 176.91 177.50 2jtc h LYS 57 N 0.28 0.50 -0.88 1.72 1.63 0.40 0.91 116.57 121.13 2jtc h LYS 57 Ca 0.06 -0.47 0.22 0.00 -0.85 0.00 0.00 60.65 59.61 2jtc h LYS 57 Cb 0.28 0.12 -0.05 0.00 -0.60 0.00 0.00 32.23 31.97 2jtc h LYS 57 CO 0.01 1.11 0.60 -0.92 -3.45 0.00 0.00 179.45 176.80 2jtc h TYR 58 N 0.07 0.34 0.00 1.91 3.20 -0.28 -2.25 116.97 119.95 2jtc h TYR 58 Ca -0.06 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.77 2jtc h TYR 58 Cb 1.28 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.43 2jtc h TYR 58 CO 0.13 0.09 -1.61 0.72 -1.64 0.00 0.00 178.16 175.84 2jtc n HIS 59 N -4.43 0.00 -4.16 -3.82 8.25 -1.02 -4.99 115.22 105.05 2jtc n HIS 59 Ca 0.19 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.26 2jtc n HIS 59 Cb 0.78 -0.34 -0.03 0.00 1.12 0.00 0.00 29.99 31.51 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 -2.04 -1.84 0.01 0.41 0.23 0.31 -4.87 115.26 107.47 2jtc n ASN 60 Ca -0.06 -1.27 -0.01 0.00 -0.53 0.00 0.00 54.58 52.72 2jtc n ASN 60 Cb 0.44 -1.78 -0.00 0.00 -2.08 0.00 0.00 39.78 36.36 2jtc n ASN 60 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 2jtc h TYR 61 N -2.22 -0.03 -1.52 -2.53 3.20 -1.90 -3.42 116.97 108.54 2jtc h TYR 61 Ca -0.69 -0.00 -0.41 0.00 3.14 0.00 0.00 58.73 60.77 2jtc h TYR 61 Cb 1.40 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 39.65 2jtc h TYR 61 CO 0.44 -0.02 1.15 -1.25 -1.64 0.00 0.00 178.16 176.84 2jtc s PRO 62 N -1.50 2.49 0.57 1.82 0.04 -1.26 -4.73 135.00 132.44 2jtc s PRO 62 Ca -0.00 0.45 0.36 0.00 0.04 0.00 0.00 61.00 61.84 2jtc s PRO 62 Cb 0.00 -4.61 1.58 0.00 0.04 0.00 0.00 34.50 31.51 2jtc s PRO 62 CO 0.01 -3.06 2.06 -0.91 0.04 0.00 0.00 177.00 175.15 2jtc h ASN 63 N 14.40 0.00 -3.84 6.66 4.21 -1.82 -3.39 115.58 131.80 2jtc h ASN 63 Ca -0.15 0.00 -0.35 0.00 1.21 0.00 0.00 56.30 57.01 2jtc h ASN 63 Cb 1.12 0.00 -0.29 0.00 -1.12 0.00 0.00 38.32 38.03 2jtc h ASN 63 CO 1.20 0.01 -0.76 -0.75 -1.29 0.00 0.00 177.43 175.84 2jtc s LYS 64 N -3.78 0.52 0.61 0.81 2.20 -1.26 -1.52 119.74 117.31 2jtc s LYS 64 Ca -0.00 -0.18 -0.19 0.00 -0.36 0.00 0.00 55.97 55.24 2jtc s LYS 64 Cb 0.10 -0.51 -0.03 0.00 -1.51 0.00 0.00 37.83 35.87 2jtc s LYS 64 CO 0.52 0.09 1.16 0.41 -0.36 0.00 0.00 175.35 177.16 2jtc n GLY 65 N 3.15 0.20 0.09 5.54 0.00 -0.91 -4.89 105.19 108.37 2jtc n GLY 65 Ca -0.15 -0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.61 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 0.66 0.00 -7.59 0.99 6.46 -1.46 -3.38 115.31 110.98 2jtc h LEU 66 Ca -0.50 -0.31 -0.26 0.00 -0.12 0.00 0.00 57.88 56.69 2jtc h LEU 66 Cb 1.35 0.00 -0.31 0.00 -0.73 0.00 0.00 40.66 40.97 2jtc h LEU 66 CO 0.53 1.13 -0.70 -0.75 -0.62 0.00 0.00 178.44 178.03 2jtc s LYS 67 N -2.27 0.01 1.06 1.25 2.20 -1.07 -4.38 119.74 116.54 2jtc s LYS 67 Ca -0.21 0.14 -0.12 0.00 -0.36 0.00 0.00 55.97 55.42 2jtc s LYS 67 Cb 0.04 -0.12 0.23 0.00 -1.51 0.00 0.00 37.83 36.46 2jtc s LYS 67 CO 0.42 -0.09 1.07 0.16 -0.36 0.00 0.00 175.35 176.55 2jtc s ASP 68 N 0.61 1.82 -0.09 1.43 1.47 -1.26 -3.72 116.67 116.93 2jtc s ASP 68 Ca -0.05 1.69 -0.14 0.00 1.18 0.00 0.00 52.55 55.23 2jtc s ASP 68 Cb -0.07 -2.35 0.03 0.00 -0.34 0.00 0.00 42.92 40.19 2jtc s ASP 68 CO -0.02 -3.70 0.35 -0.47 0.68 0.00 0.00 175.17 172.00 2jtc s TYR 69 N -2.58 -0.32 0.26 2.11 6.14 -0.54 -4.81 117.35 117.61 2jtc s TYR 69 Ca 0.67 0.72 -0.10 0.00 0.64 0.00 0.00 57.07 59.00 2jtc s TYR 69 Cb -0.23 0.13 -0.01 0.00 0.42 0.00 0.00 41.96 42.27 2jtc s TYR 69 CO 0.62 -0.27 0.45 -0.08 0.64 0.00 0.00 175.55 176.90 2jtc s THR 70 N -0.39 0.00 -0.15 4.34 -1.32 -1.26 0.12 115.64 116.98 2jtc s THR 70 Ca -0.05 -1.49 -0.33 0.00 -1.21 0.00 0.00 61.69 58.61 2jtc s THR 70 Cb -0.03 -2.33 0.13 0.00 -1.51 0.00 0.00 72.50 68.76 2jtc s THR 70 CO 0.02 0.00 1.13 -0.72 -2.21 0.00 0.00 174.62 172.84 2jtc s TYR 71 N -3.83 -0.19 -0.03 9.09 1.13 -0.45 -4.96 117.35 118.10 2jtc s TYR 71 Ca 0.25 0.15 -0.15 0.00 -1.41 0.00 0.00 57.07 55.92 2jtc s TYR 71 Cb 0.00 0.51 -0.05 0.00 -1.10 0.00 0.00 41.96 41.32 2jtc s TYR 71 CO 0.11 -0.28 0.39 0.99 -2.51 0.00 0.00 175.55 174.25 2jtc s THR 72 N -2.39 5.09 0.59 -3.49 2.01 -1.26 -0.22 115.64 115.97 2jtc s THR 72 Ca 0.07 0.80 -0.18 0.00 0.31 0.00 0.00 61.69 62.69 2jtc s THR 72 Cb -0.01 -3.70 -0.06 0.00 0.01 0.00 0.00 72.50 68.74 2jtc s THR 72 CO -0.05 0.53 0.83 -0.11 -0.69 0.00 0.00 174.62 175.13 2jtc n LEU 73 N 2.21 2.81 -4.77 4.42 7.94 0.36 -4.88 117.00 125.09 2jtc n LEU 73 Ca -0.13 0.78 -0.40 0.00 -1.11 0.00 0.00 56.01 55.15 2jtc n LEU 73 Cb 0.52 -1.32 0.00 0.00 0.53 0.00 0.00 43.42 43.15 2jtc n LEU 73 CO 0.38 -2.23 1.08 -0.55 -1.11 0.00 0.00 177.39 174.97 2jtc s SER 74 N -1.23 6.19 0.00 1.96 0.15 -1.26 -4.81 113.70 114.70 2jtc s SER 74 Ca 0.74 2.94 0.14 0.00 0.70 0.00 0.00 55.95 60.47 2jtc s SER 74 Cb -0.43 -2.66 0.78 0.00 -1.71 0.00 0.00 66.02 62.00 2jtc s SER 74 CO 0.49 -0.96 1.33 -1.54 1.20 0.00 0.00 173.24 173.75 2jtc n SER 75 N 0.20 0.00 -0.37 5.45 3.41 -1.26 -1.56 113.62 119.49 2jtc n SER 75 Ca 0.03 -0.17 0.11 0.00 -0.26 0.00 0.00 58.87 58.58 2jtc n SER 75 Cb 0.41 -0.15 -0.01 0.00 -0.26 0.00 0.00 64.21 64.19 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 -1.15 1.75 -4.61 4.04 5.15 -1.26 -4.89 115.26 114.30 2jtc n ASN 76 Ca 0.09 -1.37 -0.43 0.00 -0.60 0.00 0.00 54.58 52.27 2jtc n ASN 76 Cb 0.08 0.58 -0.02 0.00 -0.53 0.00 0.00 39.78 39.89 2jtc n ASN 76 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 2jtc s ASN 77 N -2.60 6.10 -0.01 1.20 3.84 -0.60 -4.84 114.94 118.03 2jtc s ASN 77 Ca 0.16 1.24 0.08 0.00 0.21 0.00 0.00 52.86 54.56 2jtc s ASN 77 Cb 0.18 -2.53 0.25 0.00 -0.55 0.00 0.00 41.25 38.60 2jtc s ASN 77 CO 0.64 -1.55 1.18 -0.81 -2.79 0.00 0.00 177.10 173.77 2jtc n PRO 78 N 8.19 1.72 0.00 0.43 -0.04 -1.26 -3.85 135.00 140.19 2jtc n PRO 78 Ca 0.20 -1.02 0.07 0.00 -0.04 0.00 0.00 63.50 62.71 2jtc n PRO 78 Cb 0.47 -1.27 0.03 0.00 -0.04 0.00 0.00 33.50 32.70 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 0.31 0.00 -4.05 0.54 4.01 -1.26 -3.04 117.16 113.67 2jtc n TYR 79 Ca 0.09 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.76 2jtc n TYR 79 Cb 0.27 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.20 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 -1.29 0.49 0.00 -0.72 0.40 -1.25 0.84 117.98 116.46 2jtc s PHE 80 Ca 0.14 -0.99 0.00 0.00 -0.60 0.00 0.00 56.93 55.48 2jtc s PHE 80 Cb 0.11 -0.33 0.00 0.00 0.51 0.00 0.00 43.02 43.31 2jtc s PHE 80 CO 0.22 -0.44 0.48 0.09 0.70 0.00 0.00 175.22 176.27 2jtc n ASN 81 N 0.04 0.00 0.00 1.36 3.02 -1.26 -4.85 115.26 113.56 2jtc n ASN 81 Ca -0.13 0.48 0.00 0.00 -0.03 0.00 0.00 54.58 54.90 2jtc n ASN 81 Cb 0.62 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.79 2jtc n ASN 81 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2jtc n HIS 82 N -0.75 0.00 -0.97 3.10 8.25 -1.26 -4.96 115.22 118.63 2jtc n HIS 82 Ca 0.00 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.23 2jtc n HIS 82 Cb 0.00 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.04 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 2.46 -3.56 -0.41 -0.04 -1.26 -4.19 135.00 128.00 2jtc n PRO 83 Ca 0.00 -1.44 -0.41 0.00 -0.04 0.00 0.00 63.50 61.61 2jtc n PRO 83 Cb 0.00 -2.34 -0.09 0.00 -0.04 0.00 0.00 33.50 31.02 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 2.13 2.63 -0.17 0.54 2.47 -1.26 -4.96 119.74 121.11 2jtc s LYS 84 Ca 0.56 -1.52 -0.08 0.00 -1.56 0.00 0.00 55.97 53.37 2jtc s LYS 84 Cb 0.20 -3.87 -0.04 0.00 -1.46 0.00 0.00 37.83 32.66 2jtc s LYS 84 CO -0.03 -1.03 0.12 -0.80 0.16 0.00 0.00 175.35 173.78 2jtc s ASN 85 N 2.33 6.16 0.15 1.43 0.02 -1.26 0.14 114.94 123.91 2jtc s ASN 85 Ca 0.04 0.29 0.05 0.00 -1.02 0.00 0.00 52.86 52.22 2jtc s ASN 85 Cb -0.24 -2.04 -0.04 0.00 0.02 0.00 0.00 41.25 38.95 2jtc s ASN 85 CO 0.02 0.27 0.11 -0.76 0.02 0.00 0.00 177.10 176.76 2jtc s LEU 86 N -0.17 3.74 -0.06 0.60 1.02 0.69 -4.92 118.68 119.58 2jtc s LEU 86 Ca 0.10 -0.15 -0.05 0.00 0.02 0.00 0.00 54.13 54.05 2jtc s LEU 86 Cb -0.12 -2.37 0.02 0.00 0.02 0.00 0.00 46.19 43.75 2jtc s LEU 86 CO 0.00 0.09 0.16 0.12 0.02 0.00 0.00 176.35 176.74 2jtc s PHE 87 N -1.69 -0.18 -0.26 0.29 5.36 -1.26 -1.34 117.98 118.89 2jtc s PHE 87 Ca 0.30 0.43 0.02 0.00 -0.96 0.00 0.00 56.93 56.72 2jtc s PHE 87 Cb -0.10 0.05 0.05 0.00 -0.34 0.00 0.00 43.02 42.68 2jtc s PHE 87 CO 0.23 -0.09 -0.09 0.00 -1.46 0.00 0.00 175.22 173.81 2jtc s ALA 88 N 0.15 2.61 -0.07 11.12 0.00 0.32 -4.96 121.76 130.93 2jtc s ALA 88 Ca -0.01 -1.71 -0.04 0.00 0.00 0.00 0.00 51.96 50.21 2jtc s ALA 88 Cb -0.02 -1.64 -0.16 0.00 0.00 0.00 0.00 23.12 21.30 2jtc s ALA 88 CO -0.00 -1.13 2.46 0.00 0.00 0.00 0.00 175.76 177.09 2jtc n ALA 89 N 4.50 4.45 -0.05 0.00 0.00 -1.26 -1.47 120.51 126.68 2jtc n ALA 89 Ca -0.14 -1.23 -0.08 0.00 0.00 0.00 0.00 53.44 51.99 2jtc n ALA 89 Cb 0.43 -2.35 -0.01 0.00 0.00 0.00 0.00 19.45 17.52 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 2.44 0.52 -1.53 0.00 2.04 -1.88 0.36 117.51 119.46 2jtc h ILE 90 Ca 0.15 0.00 0.45 0.00 1.00 0.00 0.00 64.86 66.45 2jtc h ILE 90 Cb 0.91 0.52 -0.06 0.00 -0.74 0.00 0.00 36.82 37.45 2jtc h ILE 90 CO 0.41 0.00 1.13 0.77 0.00 0.00 0.00 178.15 180.46 2jtc h SER 91 N -0.16 0.00 -0.54 1.72 4.64 -1.74 2.14 113.55 119.61 2jtc h SER 91 Ca 0.13 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.12 2jtc h SER 91 Cb 0.36 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 62.24 2jtc h SER 91 CO -0.34 0.00 -0.13 0.35 -0.87 0.00 0.00 176.83 175.84 2jtc n THR 92 N -4.02 2.70 -2.83 2.95 -2.24 0.12 -4.48 114.28 106.49 2jtc n THR 92 Ca 0.34 -3.14 -0.31 0.00 -2.27 0.00 0.00 64.05 58.66 2jtc n THR 92 Cb 1.61 -0.63 -0.04 0.00 -2.10 0.00 0.00 70.33 69.17 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 -3.42 3.89 -0.58 -0.78 1.81 0.72 -4.87 118.95 115.73 2jtc s ARG 93 Ca 0.49 0.65 0.04 0.00 -1.72 0.00 0.00 55.73 55.19 2jtc s ARG 93 Cb 0.42 -2.34 0.15 0.00 -0.45 0.00 0.00 34.95 32.74 2jtc s ARG 93 CO 0.00 -0.04 0.35 -0.65 -0.68 0.00 0.00 175.30 174.29 2jtc s GLN 94 N -3.65 2.01 -0.86 3.54 -1.52 -1.26 -2.13 119.66 115.79 2jtc s GLN 94 Ca 0.54 -2.80 -0.25 0.00 -1.95 0.00 0.00 55.36 50.91 2jtc s GLN 94 Cb -0.10 -3.12 0.04 0.00 -0.22 0.00 0.00 33.01 29.62 2jtc s GLN 94 CO 0.27 -1.20 1.32 0.71 -0.25 0.00 0.00 175.29 176.14 2jtc s TYR 95 N -0.64 2.44 -0.95 0.91 2.02 -0.58 -4.92 117.35 115.63 2jtc s TYR 95 Ca 0.21 -0.46 -0.24 0.00 -0.37 0.00 0.00 57.07 56.21 2jtc s TYR 95 Cb -0.16 -4.62 0.03 0.00 -0.40 0.00 0.00 41.96 36.81 2jtc s TYR 95 CO -0.08 -1.97 1.48 -0.80 -1.57 0.00 0.00 175.55 172.61 2jtc s ASN 96 N 4.24 6.27 0.00 2.29 -0.87 -1.26 -4.60 114.94 121.01 2jtc s ASN 96 Ca 0.39 -1.14 0.01 0.00 -1.57 0.00 0.00 52.86 50.55 2jtc s ASN 96 Cb -0.05 -2.57 0.06 0.00 -0.02 0.00 0.00 41.25 38.68 2jtc s ASN 96 CO 0.03 -1.72 0.99 0.79 -2.57 0.00 0.00 177.10 174.62 2jtc n TRP 97 N 9.60 0.00 0.06 2.20 5.03 -1.26 0.16 117.44 133.22 2jtc n TRP 97 Ca 0.28 0.00 0.04 0.00 3.03 0.00 0.00 57.50 60.85 2jtc n TRP 97 Cb 0.50 -0.44 -0.05 0.00 -1.03 0.00 0.00 31.31 30.29 2jtc n TRP 97 CO 0.00 0.00 0.00 0.09 -0.03 0.00 0.00 177.69 177.75 2jtc n ASN 98 N -1.44 0.83 -0.05 -0.99 3.02 -1.26 -3.98 115.26 111.39 2jtc n ASN 98 Ca 0.00 0.35 -0.03 0.00 -0.03 0.00 0.00 54.58 54.87 2jtc n ASN 98 Cb 0.01 0.32 -0.15 0.00 -0.61 0.00 0.00 39.78 39.36 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 -2.79 0.18 -3.41 6.41 3.02 0.90 -4.48 115.26 115.07 2jtc n ASN 99 Ca -0.06 0.08 -0.34 0.00 -0.03 0.00 0.00 54.58 54.22 2jtc n ASN 99 Cb 0.73 1.09 -0.03 0.00 -0.61 0.00 0.00 39.78 40.96 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 -2.65 2.77 -1.37 2.41 5.41 0.12 -4.49 119.36 121.56 2jtc n ILE 100 Ca -0.21 -1.95 -0.38 0.00 1.00 0.00 0.00 62.75 61.22 2jtc n ILE 100 Cb 0.94 -2.35 0.03 0.00 -0.71 0.00 0.00 39.64 37.56 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 5.32 -0.76 0.11 1.39 4.77 -1.26 -4.87 117.00 121.69 2jtc n LEU 101 Ca 0.53 0.68 -0.01 0.00 -0.03 0.00 0.00 56.01 57.19 2jtc n LEU 101 Cb 0.27 -1.07 0.01 0.00 -2.33 0.00 0.00 43.42 40.30 2jtc n LEU 101 CO 0.86 -3.67 0.37 1.55 -1.33 0.00 0.00 177.39 175.16 2jtc h PRO 102 N 0.07 0.00 -3.66 3.23 0.13 -1.84 -3.45 132.00 126.48 2jtc h PRO 102 Ca -0.44 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.40 2jtc h PRO 102 Cb 1.41 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.22 2jtc h PRO 102 CO 0.44 0.68 -0.73 -0.08 -0.23 0.00 0.00 178.00 178.08 2jtc s THR 103 N -2.95 0.03 0.00 1.56 -1.32 -0.92 0.28 115.64 112.33 2jtc s THR 103 Ca 0.02 0.11 0.06 0.00 -1.21 0.00 0.00 61.69 60.68 2jtc s THR 103 Cb 0.09 -0.12 -0.03 0.00 -1.51 0.00 0.00 72.50 70.93 2jtc s THR 103 CO 0.77 0.08 -0.18 -0.31 -2.21 0.00 0.00 174.62 172.77 2jtc s TYR 104 N 0.73 2.58 -2.12 9.09 1.51 -1.24 -4.92 117.35 122.97 2jtc s TYR 104 Ca -0.06 -0.25 0.23 0.00 -1.01 0.00 0.00 57.07 55.98 2jtc s TYR 104 Cb -0.09 -1.52 0.02 0.00 -0.11 0.00 0.00 41.96 40.26 2jtc s TYR 104 CO -0.02 0.19 1.11 0.45 -1.11 0.00 0.00 175.55 176.18 2jtc n SER 105 N 1.91 2.10 0.00 2.29 2.88 -1.26 -4.92 113.62 116.62 2jtc n SER 105 Ca -0.16 -1.55 0.00 0.00 -1.33 0.00 0.00 58.87 55.83 2jtc n SER 105 Cb 0.52 0.43 0.00 0.00 -0.75 0.00 0.00 64.21 64.41 2jtc n SER 105 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jtc n GLY 106 N 1.41 0.55 0.00 0.46 0.00 -1.26 -4.84 105.19 101.51 2jtc n GLY 106 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2jtc n GLY 106 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2jtc n ARG 107 N -2.90 3.90 -0.75 1.61 -4.01 -1.26 -4.98 116.66 108.28 2jtc n ARG 107 Ca 0.00 -0.19 -0.28 0.00 -1.04 0.00 0.00 57.85 56.33 2jtc n ARG 107 Cb 0.00 -0.70 0.23 0.00 -3.04 0.00 0.00 32.46 28.95 2jtc n ARG 107 CO 0.00 0.00 0.00 -1.21 -3.04 0.00 0.00 177.63 173.38 2jtc s GLU 108 N -0.62 -0.55 0.83 2.89 8.01 -1.26 -5.01 118.70 123.00 2jtc s GLU 108 Ca 0.00 0.72 -0.14 0.00 0.01 0.00 0.00 54.97 55.56 2jtc s GLU 108 Cb 0.00 -1.61 0.21 0.00 -4.31 0.00 0.00 34.13 28.42 2jtc s GLU 108 CO 0.00 -3.44 0.78 -1.13 0.01 0.00 0.00 175.26 171.48 2jtc n SER 109 N -4.70 -1.54 0.09 -0.19 3.41 -1.26 -4.88 113.62 104.54 2jtc n SER 109 Ca 0.04 -1.01 -0.14 0.00 -0.26 0.00 0.00 58.87 57.50 2jtc n SER 109 Cb 0.55 -0.70 -0.14 0.00 -0.26 0.00 0.00 64.21 63.67 2jtc n SER 109 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2jtc h ASN 110 N -2.08 0.32 0.16 4.04 4.21 -1.97 -2.97 115.58 117.28 2jtc h ASN 110 Ca -0.29 -0.35 0.01 0.00 1.21 0.00 0.00 56.30 56.87 2jtc h ASN 110 Cb 0.87 -0.10 -0.04 0.00 -1.12 0.00 0.00 38.32 37.93 2jtc h ASN 110 CO 0.19 1.28 -0.45 0.58 -1.29 0.00 0.00 177.43 177.74 2jtc h VAL 111 N 0.06 0.00 -0.43 2.81 2.07 -1.98 1.68 116.25 120.46 2jtc h VAL 111 Ca -0.12 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 2jtc h VAL 111 Cb 1.93 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 2jtc h VAL 111 CO 0.18 0.00 0.14 1.56 0.02 0.00 0.00 177.57 179.47 2jtc h GLN 112 N -0.68 0.62 -0.49 1.57 7.50 -1.81 -1.21 115.11 120.61 2jtc h GLN 112 Ca -0.01 -0.09 -0.05 0.00 0.50 0.00 0.00 58.65 59.00 2jtc h GLN 112 Cb 0.67 -0.11 -0.02 0.00 0.05 0.00 0.00 27.48 28.07 2jtc h GLN 112 CO -0.21 0.54 0.13 0.87 -1.50 0.00 0.00 178.83 178.66 2jtc h LYS 113 N 0.61 0.78 -0.80 1.46 1.57 -1.04 -1.97 116.57 117.17 2jtc h LYS 113 Ca 0.15 -0.18 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2jtc h LYS 113 Cb 0.18 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.34 2jtc h LYS 113 CO -0.01 0.75 0.53 1.98 -0.57 0.00 0.00 179.45 182.14 2jtc h MET 114 N 0.67 1.05 0.12 3.15 4.05 0.33 0.82 114.93 125.12 2jtc h MET 114 Ca 0.16 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.51 2jtc h MET 114 Cb 0.32 -0.24 -0.00 0.00 -0.80 0.00 0.00 31.60 30.88 2jtc h MET 114 CO 0.00 0.70 -0.09 0.00 0.23 0.00 0.00 176.91 177.75 2jtc h ALA 115 N 1.50 -0.92 -0.47 0.39 0.00 -0.51 0.73 119.26 119.98 2jtc h ALA 115 Ca 0.30 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 2jtc h ALA 115 Cb -0.12 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2jtc h ALA 115 CO -0.07 -0.91 0.14 0.97 0.00 0.00 0.00 179.25 179.38 2jtc h ILE 116 N -0.20 1.23 -0.98 0.00 6.09 -1.37 0.17 117.51 122.44 2jtc h ILE 116 Ca -0.02 -0.77 0.08 0.00 -1.37 0.00 0.00 64.86 62.78 2jtc h ILE 116 Cb 0.17 0.84 -0.07 0.00 0.47 0.00 0.00 36.82 38.23 2jtc h ILE 116 CO 0.01 0.28 0.63 0.77 -3.07 0.00 0.00 178.15 176.76 2jtc h SER 117 N 0.62 0.98 -0.31 2.19 4.64 0.70 0.40 113.55 122.78 2jtc h SER 117 Ca 0.15 0.02 -0.16 0.00 -0.47 0.00 0.00 61.79 61.33 2jtc h SER 117 Cb 0.28 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.19 2jtc h SER 117 CO -0.00 0.60 -0.44 -0.08 -0.87 0.00 0.00 176.83 176.04 2jtc h GLU 118 N 1.10 0.84 -0.18 4.77 4.81 0.95 -1.25 114.58 125.63 2jtc h GLU 118 Ca 0.44 -0.50 0.04 0.00 -0.13 0.00 0.00 59.36 59.22 2jtc h GLU 118 Cb 0.24 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.62 2jtc h GLU 118 CO -0.20 1.13 -0.08 1.25 -0.73 0.00 0.00 179.01 180.39 2jtc h LEU 119 N 0.62 -0.27 0.21 1.64 5.85 0.11 0.48 115.31 123.95 2jtc h LEU 119 Ca 0.03 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 2jtc h LEU 119 Cb 1.04 0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.23 2jtc h LEU 119 CO 0.10 -0.11 -0.10 0.24 -0.34 0.00 0.00 178.44 178.23 2jtc h MET 120 N -0.06 -0.28 -0.79 1.25 2.86 -0.16 1.45 114.93 119.21 2jtc h MET 120 Ca 0.10 0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.71 2jtc h MET 120 Cb 0.20 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.89 2jtc h MET 120 CO -0.22 -0.19 0.32 0.00 1.06 0.00 0.00 176.91 177.88 2jtc h ALA 121 N 0.50 1.08 -0.04 6.32 0.00 -0.91 2.50 119.26 128.71 2jtc h ALA 121 Ca -0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2jtc h ALA 121 Cb 0.22 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2jtc h ALA 121 CO 0.05 0.66 0.00 -0.44 0.00 0.00 0.00 179.25 179.52 2jtc h ASP 122 N 1.14 0.06 0.87 0.00 3.32 0.27 0.15 116.42 122.23 2jtc h ASP 122 Ca 0.26 -0.28 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 2jtc h ASP 122 Cb 0.20 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 39.75 2jtc h ASP 122 CO -0.02 0.33 -0.42 0.58 -1.72 0.00 0.00 179.24 177.99 2jtc h VAL 123 N -0.21 0.00 -0.86 -1.35 2.07 0.27 0.86 116.25 117.03 2jtc h VAL 123 Ca 0.01 -0.05 0.22 0.00 0.82 0.00 0.00 66.70 67.70 2jtc h VAL 123 Cb 0.29 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.93 2jtc h VAL 123 CO 0.00 0.00 0.26 1.23 0.02 0.00 0.00 177.57 179.08 2jtc h GLY 124 N -1.22 1.33 0.63 2.17 0.00 0.43 0.32 103.07 106.74 2jtc h GLY 124 Ca -0.12 -0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 2jtc h GLY 124 CO 0.20 -0.32 -0.10 -2.22 0.00 0.00 0.00 176.54 174.09 2jtc h ILE 125 N 0.25 0.86 -1.20 2.60 2.04 -0.44 0.82 117.51 122.44 2jtc h ILE 125 Ca 0.53 -0.70 0.34 0.00 1.00 0.00 0.00 64.86 66.03 2jtc h ILE 125 Cb 1.03 1.25 -0.07 0.00 -0.74 0.00 0.00 36.82 38.29 2jtc h ILE 125 CO -0.61 0.15 0.83 0.77 0.00 0.00 0.00 178.15 179.29 2jtc h SER 126 N -0.66 0.15 -0.96 1.72 4.64 0.37 0.90 113.55 119.70 2jtc h SER 126 Ca -0.03 0.04 -0.60 0.00 -0.47 0.00 0.00 61.79 60.73 2jtc h SER 126 Cb 0.47 0.02 -0.30 0.00 -0.31 0.00 0.00 62.40 62.28 2jtc h SER 126 CO 0.05 0.01 0.69 1.33 -0.87 0.00 0.00 176.83 178.03 2jtc n VAL 127 N -4.35 3.40 -4.24 0.95 0.24 0.83 -4.68 118.33 110.48 2jtc n VAL 127 Ca 0.27 -2.66 -0.36 0.00 -2.04 0.00 0.00 64.34 59.55 2jtc n VAL 127 Cb 1.19 -0.90 -0.06 0.00 -1.47 0.00 0.00 33.84 32.60 2jtc n VAL 127 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2jtc n ASP 128 N -0.99 -0.71 -4.76 -1.34 8.00 0.31 -3.96 116.55 113.11 2jtc n ASP 128 Ca 0.60 -1.29 -0.41 0.00 0.71 0.00 0.00 54.79 54.40 2jtc n ASP 128 Cb 1.02 -1.61 -0.02 0.00 -0.02 0.00 0.00 41.12 40.49 2jtc n ASP 128 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 2jtc s MET 129 N -7.42 4.36 -0.18 -1.24 -2.45 0.28 -4.42 119.30 108.23 2jtc s MET 129 Ca 0.16 2.18 -0.23 0.00 -1.25 0.00 0.00 55.69 56.55 2jtc s MET 129 Cb -0.09 -3.11 -0.02 0.00 1.25 0.00 0.00 34.83 32.85 2jtc s MET 129 CO 0.99 -0.23 0.71 0.34 1.05 0.00 0.00 175.02 177.88 2jtc s ASP 130 N -0.14 6.80 -0.25 1.11 2.15 0.32 -4.87 116.67 121.78 2jtc s ASP 130 Ca 0.53 0.97 -0.08 0.00 0.43 0.00 0.00 52.55 54.40 2jtc s ASP 130 Cb -0.39 -2.39 -0.03 0.00 -0.30 0.00 0.00 42.92 39.81 2jtc s ASP 130 CO 0.47 -0.31 0.10 -0.31 -0.17 0.00 0.00 175.17 174.94 2jtc s TYR 131 N 1.95 3.12 0.00 -5.34 2.02 -1.26 -1.98 117.35 115.86 2jtc s TYR 131 Ca 0.33 -0.28 0.00 0.00 -0.37 0.00 0.00 57.07 56.75 2jtc s TYR 131 Cb -0.16 -2.26 0.00 0.00 -0.40 0.00 0.00 41.96 39.14 2jtc s TYR 131 CO 0.11 -0.29 0.00 0.41 -1.57 0.00 0.00 175.55 174.22 2jtc n GLY 132 N 4.87 3.63 0.26 0.71 0.00 -1.26 -4.81 105.19 108.58 2jtc n GLY 132 Ca -0.16 -1.09 0.05 0.00 0.00 0.00 0.00 46.02 44.82 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 0.20 -6.22 1.61 0.13 -1.90 -2.70 132.00 123.12 2jtc h PRO 133 Ca 0.00 -0.03 -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 0.24 -0.69 -1.12 -0.23 0.00 0.00 178.00 176.20 2jtc s SER 134 N -6.91 4.72 -0.25 1.44 0.01 -1.26 -4.08 113.70 107.37 2jtc s SER 134 Ca -0.06 -0.08 0.02 0.00 1.31 0.00 0.00 55.95 57.14 2jtc s SER 134 Cb 0.16 -1.15 0.06 0.00 0.21 0.00 0.00 66.02 65.30 2jtc s SER 134 CO 0.71 0.31 -0.10 -0.44 0.41 0.00 0.00 173.24 174.12 2jtc s SER 135 N -1.26 4.19 -0.10 2.44 0.01 -1.26 -4.64 113.70 113.08 2jtc s SER 135 Ca 0.16 -1.28 -0.02 0.00 1.31 0.00 0.00 55.95 56.12 2jtc s SER 135 Cb -0.11 -1.46 -0.03 0.00 0.21 0.00 0.00 66.02 64.63 2jtc s SER 135 CO 0.06 -0.18 -0.02 -0.83 0.41 0.00 0.00 173.24 172.68 2jtc s GLY 136 N 1.19 1.80 0.00 3.44 0.00 -0.84 -3.78 107.32 109.12 2jtc s GLY 136 Ca -0.07 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 43.83 2jtc s GLY 136 CO -0.06 -0.48 0.00 -1.26 0.00 0.00 0.00 173.10 171.30 2jtc n SER 137 N 2.44 1.73 -0.09 1.64 2.88 -1.26 0.12 113.62 121.08 2jtc n SER 137 Ca -0.18 -0.32 -0.12 0.00 -1.33 0.00 0.00 58.87 56.92 2jtc n SER 137 Cb 0.53 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.94 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 0.61 0.00 -1.46 0.00 -1.25 -2.86 120.51 112.54 2jtc n ALA 138 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.95 2jtc n ALA 138 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.27 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 0.28 0.20 0.00 0.00 -1.26 -2.46 105.19 103.48 2jtc n GLY 139 Ca -0.18 -1.18 -0.06 0.00 0.00 0.00 0.00 46.02 44.60 2jtc n GLY 139 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2jtc h SER 140 N 0.00 -0.73 -1.28 1.61 0.02 -1.93 1.38 113.55 112.62 2jtc h SER 140 Ca 0.00 0.09 0.37 0.00 -0.84 0.00 0.00 61.79 61.41 2jtc h SER 140 Cb 0.00 0.29 -0.07 0.00 0.14 0.00 0.00 62.40 62.75 2jtc h SER 140 CO 0.00 -0.20 0.89 0.77 -1.14 0.00 0.00 176.83 177.15 2jtc h SER 141 N -0.25 0.12 0.00 3.07 4.64 -1.97 1.31 113.55 120.48 2jtc h SER 141 Ca 0.01 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.35 2jtc h SER 141 Cb 0.29 0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.39 2jtc h SER 141 CO -0.19 -0.01 -0.10 0.03 -0.87 0.00 0.00 176.83 175.70 2jtc h ARG 142 N 0.09 0.00 0.32 4.77 2.47 -1.40 -2.87 114.38 117.77 2jtc h ARG 142 Ca 0.65 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 59.36 2jtc h ARG 142 Cb 2.36 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.68 2jtc h ARG 142 CO -0.12 0.87 -0.16 0.28 0.56 0.00 0.00 179.97 181.41 2jtc h VAL 143 N -1.00 0.66 -0.59 2.04 2.07 0.45 1.51 116.25 121.38 2jtc h VAL 143 Ca -0.03 -0.59 0.07 0.00 0.82 0.00 0.00 66.70 66.98 2jtc h VAL 143 Cb 0.90 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 31.58 2jtc h VAL 143 CO -0.02 0.11 0.39 0.06 0.02 0.00 0.00 177.57 178.13 2jtc h GLN 144 N -0.78 0.50 0.03 1.57 -0.00 0.14 1.03 115.11 117.60 2jtc h GLN 144 Ca -0.04 -0.03 -0.00 0.00 -0.00 0.00 0.00 58.65 58.57 2jtc h GLN 144 Cb 0.51 -0.11 0.00 0.00 -0.00 0.00 0.00 27.48 27.88 2jtc h GLN 144 CO 0.07 0.33 -0.01 -0.09 -0.00 0.00 0.00 178.83 179.13 2jtc h ARG 145 N 0.52 -0.04 -0.68 0.06 2.43 -1.31 -3.15 114.38 112.21 2jtc h ARG 145 Ca 0.26 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.42 2jtc h ARG 145 Cb 0.36 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 2jtc h ARG 145 CO -0.08 0.57 0.39 0.00 -1.51 0.00 0.00 179.97 179.34 2jtc h ALA 146 N -0.31 1.39 -0.44 2.80 0.00 0.25 1.08 119.26 124.02 2jtc h ALA 146 Ca -0.00 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.84 2jtc h ALA 146 Cb 0.62 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2jtc h ALA 146 CO 0.01 0.51 0.25 -0.07 0.00 0.00 0.00 179.25 179.94 2jtc h LEU 147 N 0.95 0.39 0.01 0.00 3.38 0.99 0.37 115.31 121.39 2jtc h LEU 147 Ca 0.24 0.01 -0.19 0.00 0.09 0.00 0.00 57.88 58.03 2jtc h LEU 147 Cb 0.00 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 2jtc h LEU 147 CO -0.04 0.27 -1.06 0.11 0.09 0.00 0.00 178.44 177.82 2jtc h LYS 148 N 0.49 0.03 -0.39 1.13 1.57 -1.40 0.73 116.57 118.73 2jtc h LYS 148 Ca 0.18 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.84 2jtc h LYS 148 Cb 0.04 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 2jtc h LYS 148 CO -0.10 1.02 -0.07 0.93 -0.57 0.00 0.00 179.45 180.67 2jtc h GLU 149 N -0.92 0.74 0.00 3.15 5.08 0.11 -1.15 114.58 121.59 2jtc h GLU 149 Ca -0.28 -0.27 -0.34 0.00 -1.00 0.00 0.00 59.36 57.47 2jtc h GLU 149 Cb 1.30 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 30.45 2jtc h GLU 149 CO -0.14 0.86 -1.85 0.09 -1.00 0.00 0.00 179.01 176.97 2jtc n ASN 150 N -4.38 1.91 -1.88 1.42 5.03 0.75 -3.87 115.26 114.24 2jtc n ASN 150 Ca -0.01 0.38 0.06 0.00 0.87 0.00 0.00 54.58 55.87 2jtc n ASN 150 Cb 0.34 -0.89 0.39 0.00 -1.02 0.00 0.00 39.78 38.59 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 -4.32 2.08 -3.15 3.10 3.72 0.94 -1.68 117.46 118.15 2jtc n PHE 151 Ca -0.42 -0.75 -0.23 0.00 -0.05 0.00 0.00 57.45 56.01 2jtc n PHE 151 Cb 0.78 -0.52 -0.04 0.00 -0.94 0.00 0.00 39.48 38.76 2jtc n PHE 151 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jtc n GLY 152 N 0.55 -0.20 3.70 1.37 0.00 -0.26 -4.63 105.19 105.72 2jtc n GLY 152 Ca 0.28 0.04 -0.32 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.30 1.91 0.74 1.61 1.51 0.24 -4.86 117.35 116.20 2jtc s TYR 153 Ca 0.42 1.71 -0.16 0.00 -1.01 0.00 0.00 57.07 58.02 2jtc s TYR 153 Cb -0.24 -3.30 -0.07 0.00 -0.11 0.00 0.00 41.96 38.23 2jtc s TYR 153 CO 0.55 -2.55 0.17 -1.71 -1.11 0.00 0.00 175.55 170.90 2jtc n ASN 154 N -3.78 -2.54 0.22 2.29 5.15 0.44 -4.59 115.26 112.45 2jtc n ASN 154 Ca 0.12 0.52 0.12 0.00 -0.60 0.00 0.00 54.58 54.74 2jtc n ASN 154 Cb 0.52 -1.07 0.64 0.00 -0.53 0.00 0.00 39.78 39.35 2jtc n ASN 154 CO 0.00 0.00 0.00 -0.61 1.40 0.00 0.00 177.26 178.05 2jtc h GLN 155 N -0.47 0.00 0.00 1.20 5.75 -1.89 -1.15 115.11 118.55 2jtc h GLN 155 Ca -0.44 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.06 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 0.39 0.00 0.30 0.66 -2.65 0.00 0.00 178.83 177.53 2jtc h SER 156 N 0.00 0.00 -2.83 -0.69 4.64 -1.84 -3.39 113.55 109.44 2jtc h SER 156 Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 2jtc h SER 156 Cb 0.33 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.39 2jtc h SER 156 CO 0.00 0.00 0.97 -0.69 -0.87 0.00 0.00 176.83 176.24 2jtc s VAL 157 N -3.71 4.05 0.19 0.95 1.01 -0.03 -3.90 120.40 118.95 2jtc s VAL 157 Ca -0.02 1.27 -0.09 0.00 0.00 0.00 0.00 61.98 63.13 2jtc s VAL 157 Cb 0.06 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 2jtc s VAL 157 CO 0.20 -0.13 0.33 -1.38 0.00 0.00 0.00 175.10 174.11 2jtc s HIS 158 N 3.76 0.44 -0.08 5.22 -3.43 -1.14 -4.94 115.29 115.12 2jtc s HIS 158 Ca 0.61 -0.79 0.01 0.00 -0.80 0.00 0.00 55.06 54.09 2jtc s HIS 158 Cb -0.25 -0.03 -0.02 0.00 -1.43 0.00 0.00 32.58 30.85 2jtc s HIS 158 CO 0.20 -0.79 -0.11 -1.14 -2.00 0.00 0.00 174.74 170.90 2jtc s GLN 159 N -3.99 2.86 0.39 -0.38 0.74 -1.26 -2.76 119.66 115.25 2jtc s GLN 159 Ca 0.20 -0.64 0.06 0.00 0.05 0.00 0.00 55.36 55.03 2jtc s GLN 159 Cb 0.03 -2.53 -0.07 0.00 1.10 0.00 0.00 33.01 31.53 2jtc s GLN 159 CO 0.03 0.52 0.03 0.96 -0.55 0.00 0.00 175.29 176.27 2jtc s ILE 160 N -0.43 1.71 -0.29 -2.34 -4.36 0.15 -4.91 121.20 110.73 2jtc s ILE 160 Ca 0.06 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.45 2jtc s ILE 160 Cb -0.12 -2.91 0.09 0.00 1.25 0.00 0.00 42.46 40.77 2jtc s ILE 160 CO 0.02 0.00 0.04 0.20 0.24 0.00 0.00 174.94 175.44 2jtc s ASN 161 N -3.64 4.08 0.34 4.36 0.02 -1.26 -1.46 114.94 117.37 2jtc s ASN 161 Ca 0.35 -1.58 0.12 0.00 -1.02 0.00 0.00 52.86 50.73 2jtc s ASN 161 Cb 0.09 -1.12 0.98 0.00 0.02 0.00 0.00 41.25 41.23 2jtc s ASN 161 CO 0.17 -0.35 1.71 -0.09 0.02 0.00 0.00 177.10 178.56 2jtc h ARG 162 N 7.95 0.47 0.00 -0.60 9.65 -1.56 1.00 114.38 131.29 2jtc h ARG 162 Ca -0.13 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 58.73 2jtc h ARG 162 Cb 1.04 -0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 29.51 2jtc h ARG 162 CO 0.46 0.31 -0.00 0.78 2.80 0.00 0.00 179.97 184.31 2jtc h GLY 163 N 0.48 0.00 -1.75 2.80 0.00 -1.94 -2.24 103.07 100.42 2jtc h GLY 163 Ca 0.67 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.00 2jtc h GLY 163 CO -0.49 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.27 2jtc n ASP 164 N -4.09 2.98 -4.59 0.19 8.00 0.34 -4.99 116.55 114.40 2jtc n ASP 164 Ca -0.03 -1.87 -0.25 0.00 0.71 0.00 0.00 54.79 53.35 2jtc n ASP 164 Cb 0.09 -0.17 -0.09 0.00 -0.02 0.00 0.00 41.12 40.92 2jtc n ASP 164 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2jtc s PHE 165 N -1.28 2.48 -0.06 1.24 0.40 -0.80 -4.98 117.98 114.98 2jtc s PHE 165 Ca 0.29 -0.42 -0.22 0.00 -0.60 0.00 0.00 56.93 55.97 2jtc s PHE 165 Cb 0.17 -1.37 -0.04 0.00 0.51 0.00 0.00 43.02 42.30 2jtc s PHE 165 CO 0.24 0.55 0.65 -1.54 0.70 0.00 0.00 175.22 175.83 2jtc s SER 166 N -3.65 6.95 0.12 1.36 1.04 -1.26 -4.83 113.70 113.43 2jtc s SER 166 Ca 0.33 1.14 -0.05 0.00 0.48 0.00 0.00 55.95 57.85 2jtc s SER 166 Cb -0.01 -2.39 0.18 0.00 0.10 0.00 0.00 66.02 63.91 2jtc s SER 166 CO 0.18 -0.05 0.73 1.17 0.98 0.00 0.00 173.24 176.24 2jtc n LYS 167 N 3.53 -0.07 0.39 4.02 4.81 -1.26 0.74 118.16 130.32 2jtc n LYS 167 Ca -0.03 0.73 -0.15 0.00 -0.87 0.00 0.00 58.31 57.98 2jtc n LYS 167 Cb 0.51 -1.08 -0.07 0.00 0.02 0.00 0.00 35.03 34.41 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 -0.97 0.00 1.64 7.50 -2.00 -1.56 115.11 119.72 2jtc h GLN 168 Ca 0.20 0.07 0.00 0.00 0.50 0.00 0.00 58.65 59.42 2jtc h GLN 168 Cb 0.32 0.22 0.00 0.00 0.05 0.00 0.00 27.48 28.07 2jtc h GLN 168 CO -0.48 -0.65 0.00 -0.44 -1.50 0.00 0.00 178.83 175.77 2jtc h ASP 169 N -1.21 0.00 0.02 1.46 5.19 -1.06 0.11 116.42 120.94 2jtc h ASP 169 Ca -0.10 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.31 2jtc h ASP 169 Cb 0.77 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.28 2jtc h ASP 169 CO 0.17 0.00 -0.01 -0.25 -3.12 0.00 0.00 179.24 176.03 2jtc h TRP 170 N 0.00 -0.03 -0.23 4.55 2.91 0.65 -3.05 115.95 120.75 2jtc h TRP 170 Ca 0.00 -0.00 -0.14 0.00 1.13 0.00 0.00 58.89 59.88 2jtc h TRP 170 Cb 0.07 0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 28.72 2jtc h TRP 170 CO 0.00 0.65 -0.44 0.93 -1.03 0.00 0.00 178.44 178.55 2jtc h GLU 171 N -0.77 0.57 -0.95 2.65 5.08 -0.68 -2.60 114.58 117.88 2jtc h GLU 171 Ca -0.00 -0.31 0.28 0.00 -1.00 0.00 0.00 59.36 58.32 2jtc h GLU 171 Cb 0.70 0.02 -0.14 0.00 0.50 0.00 0.00 28.75 29.82 2jtc h GLU 171 CO 0.01 0.91 0.45 0.00 -1.00 0.00 0.00 179.01 179.37 2jtc h ALA 172 N 1.05 1.68 -0.62 3.43 0.00 -0.83 1.72 119.26 125.68 2jtc h ALA 172 Ca 0.03 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2jtc h ALA 172 Cb 0.96 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 2jtc h ALA 172 CO 0.09 -0.48 0.38 1.96 0.00 0.00 0.00 179.25 181.20 2jtc h GLN 173 N 0.33 0.83 0.23 0.00 1.08 -1.35 -1.89 115.11 114.34 2jtc h GLN 173 Ca 0.65 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.77 2jtc h GLN 173 Cb 1.39 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 28.64 2jtc h GLN 173 CO -0.60 0.58 -0.11 0.82 -0.95 0.00 0.00 178.83 178.57 2jtc h ILE 174 N 0.83 0.82 -0.58 2.54 2.04 0.22 -3.09 117.51 120.30 2jtc h ILE 174 Ca 0.22 -0.78 0.12 0.00 1.00 0.00 0.00 64.86 65.42 2jtc h ILE 174 Cb -0.04 1.24 -0.10 0.00 -0.74 0.00 0.00 36.82 37.17 2jtc h ILE 174 CO -0.04 0.16 -0.07 0.44 0.00 0.00 0.00 178.15 178.63 2jtc h ASP 175 N -0.74 -0.40 -0.70 1.72 5.19 0.21 0.19 116.42 121.90 2jtc h ASP 175 Ca -0.03 0.16 0.13 0.00 -0.62 0.00 0.00 57.03 56.67 2jtc h ASP 175 Cb 0.50 0.31 -0.09 0.00 0.18 0.00 0.00 39.33 40.22 2jtc h ASP 175 CO 0.05 -0.15 0.24 0.50 -3.12 0.00 0.00 179.24 176.76 2jtc h LYS 176 N 0.05 0.36 0.23 3.56 3.64 -1.38 1.53 116.57 124.57 2jtc h LYS 176 Ca 0.29 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.64 2jtc h LYS 176 Cb 0.45 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 2jtc h LYS 176 CO -0.54 0.24 -0.11 0.93 -2.27 0.00 0.00 179.45 177.69 2jtc h GLU 177 N 0.37 -0.30 0.00 1.90 4.39 -0.61 -2.02 114.58 118.31 2jtc h GLU 177 Ca 0.38 0.02 -0.04 0.00 0.34 0.00 0.00 59.36 60.06 2jtc h GLU 177 Cb 0.57 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 2jtc h GLU 177 CO -0.41 -0.18 -0.17 -0.07 -1.16 0.00 0.00 179.01 177.02 2jtc h LEU 178 N -0.34 0.00 -1.01 1.33 3.38 0.43 0.44 115.31 119.54 2jtc h LEU 178 Ca -0.03 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.11 2jtc h LEU 178 Cb 0.26 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.91 2jtc h LEU 178 CO 0.05 0.17 0.62 0.77 0.09 0.00 0.00 178.44 180.14 2jtc h SER 179 N 0.00 0.82 -0.93 -0.43 4.64 0.29 0.52 113.55 118.46 2jtc h SER 179 Ca -0.00 0.09 -0.56 0.00 -0.47 0.00 0.00 61.79 60.84 2jtc h SER 179 Cb 0.39 -0.06 -0.29 0.00 -0.31 0.00 0.00 62.40 62.13 2jtc h SER 179 CO 0.02 0.32 0.61 0.00 -0.87 0.00 0.00 176.83 176.91 2jtc n GLN 180 N -4.74 2.49 -3.96 4.77 6.02 -0.94 -4.87 117.38 116.15 2jtc n GLN 180 Ca 0.23 -3.22 -0.26 0.00 -0.01 0.00 0.00 57.00 53.73 2jtc n GLN 180 Cb 0.53 -2.20 -0.02 0.00 1.02 0.00 0.00 30.24 29.56 2jtc n GLN 180 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2jtc n ASN 181 N -1.02 -0.42 -3.97 1.08 5.03 0.18 -4.91 115.26 111.22 2jtc n ASN 181 Ca 0.58 -1.02 -0.31 0.00 0.87 0.00 0.00 54.58 54.70 2jtc n ASN 181 Cb 1.12 -2.98 -0.15 0.00 -1.02 0.00 0.00 39.78 36.76 2jtc n ASN 181 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 2jtc s GLN 182 N -6.58 1.60 1.13 3.52 -0.21 0.15 -4.94 119.66 114.32 2jtc s GLN 182 Ca 0.02 -1.41 -0.13 0.00 0.02 0.00 0.00 55.36 53.86 2jtc s GLN 182 Cb -0.01 -2.81 0.26 0.00 1.00 0.00 0.00 33.01 31.45 2jtc s GLN 182 CO 0.89 -0.77 1.04 -1.25 -2.12 0.00 0.00 175.29 173.09 2jtc s PRO 183 N 1.17 -0.61 -0.02 2.91 0.04 -1.25 -1.84 135.00 135.39 2jtc s PRO 183 Ca 0.02 0.82 0.04 0.00 0.04 0.00 0.00 61.00 61.91 2jtc s PRO 183 Cb -0.19 -1.59 -0.01 0.00 0.04 0.00 0.00 34.50 32.75 2jtc s PRO 183 CO -0.09 -3.52 -0.13 0.08 0.04 0.00 0.00 177.00 173.39 2jtc s VAL 184 N -2.56 1.04 -0.19 -0.36 1.01 0.33 -4.48 120.40 115.19 2jtc s VAL 184 Ca 0.68 -0.54 -0.23 0.00 0.00 0.00 0.00 61.98 61.89 2jtc s VAL 184 Cb -0.24 -0.88 -0.02 0.00 0.00 0.00 0.00 36.38 35.24 2jtc s VAL 184 CO 0.63 0.30 0.73 -0.47 0.00 0.00 0.00 175.10 176.29 2jtc s TYR 185 N -0.13 3.39 0.26 5.22 6.14 0.78 0.44 117.35 133.46 2jtc s TYR 185 Ca 0.02 1.08 0.09 0.00 0.64 0.00 0.00 57.07 58.90 2jtc s TYR 185 Cb -0.07 -2.91 -0.05 0.00 0.42 0.00 0.00 41.96 39.35 2jtc s TYR 185 CO 0.00 -0.22 -0.14 -0.47 0.64 0.00 0.00 175.55 175.37 2jtc s TYR 186 N 2.07 2.00 -0.29 4.97 6.14 -0.29 0.17 117.35 132.12 2jtc s TYR 186 Ca 0.33 -0.52 -0.16 0.00 0.64 0.00 0.00 57.07 57.37 2jtc s TYR 186 Cb -0.16 -0.98 0.13 0.00 0.42 0.00 0.00 41.96 41.37 2jtc s TYR 186 CO 0.11 0.48 0.89 1.14 0.64 0.00 0.00 175.55 178.80 2jtc s GLN 187 N -3.62 0.48 -0.23 4.97 -2.07 -1.02 -0.41 119.66 117.76 2jtc s GLN 187 Ca 0.27 0.84 -0.18 0.00 -1.82 0.00 0.00 55.36 54.47 2jtc s GLN 187 Cb -0.01 0.12 -0.03 0.00 -1.09 0.00 0.00 33.01 32.00 2jtc s GLN 187 CO 0.11 -0.10 0.51 0.20 -1.32 0.00 0.00 175.29 174.69 2jtc s GLY 188 N 1.49 1.97 0.68 2.60 0.00 0.10 -3.03 107.32 111.12 2jtc s GLY 188 Ca -0.09 -0.50 -0.06 0.00 0.00 0.00 0.00 44.72 44.06 2jtc s GLY 188 CO -0.17 1.13 0.99 0.14 0.00 0.00 0.00 173.10 175.19 2jtc s VAL 189 N 1.92 2.59 0.00 1.40 1.01 0.74 -0.87 120.40 127.18 2jtc s VAL 189 Ca 0.22 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.99 2jtc s VAL 189 Cb -0.15 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.13 2jtc s VAL 189 CO 0.09 -0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.70 2jtc n GLY 190 N -2.84 1.40 0.12 4.51 0.00 -1.09 -3.47 105.19 103.82 2jtc n GLY 190 Ca 0.07 -0.05 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 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 0.22 0.00 1.61 1.57 -1.86 -3.34 116.57 114.76 2jtc h LYS 191 Ca 0.00 -0.37 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 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 1.04 0.00 -0.39 -0.57 0.00 0.00 179.45 179.53 2jtc h VAL 192 N 0.06 0.00 0.00 0.50 -1.51 -1.96 -3.49 116.25 109.84 2jtc h VAL 192 Ca -0.33 -0.58 0.00 0.00 -1.23 0.00 0.00 66.70 64.56 2jtc h VAL 192 Cb 2.03 1.53 0.00 0.00 -2.13 0.00 0.00 31.29 32.72 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 0.60 0.73 3.50 5.19 0.00 -1.26 -4.69 105.19 109.28 2jtc n GLY 193 Ca 0.03 -2.05 -0.43 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 1.60 0.18 -0.02 0.00 -1.03 -2.67 107.32 105.39 2jtc s GLY 194 Ca 0.00 -1.32 -0.30 0.00 0.00 0.00 0.00 44.72 43.10 2jtc s GLY 194 CO 0.00 1.75 1.21 -1.58 0.00 0.00 0.00 173.10 174.48 2jtc s HIS 195 N 3.25 3.41 0.30 1.90 2.46 -0.05 -4.45 115.29 122.11 2jtc s HIS 195 Ca 0.25 1.40 0.10 0.00 0.47 0.00 0.00 55.06 57.28 2jtc s HIS 195 Cb -0.14 -3.45 -0.06 0.00 -0.13 0.00 0.00 32.58 28.80 2jtc s HIS 195 CO 0.18 -1.27 -0.13 0.00 -2.47 0.00 0.00 174.74 171.05 2jtc s ALA 196 N -0.02 2.69 0.30 1.58 0.00 -1.26 0.01 121.76 125.05 2jtc s ALA 196 Ca 0.53 -1.94 -0.17 0.00 0.00 0.00 0.00 51.96 50.38 2jtc s ALA 196 Cb -0.33 -0.08 0.02 0.00 0.00 0.00 0.00 23.12 22.73 2jtc s ALA 196 CO 0.37 0.12 0.66 -0.59 0.00 0.00 0.00 175.76 176.32 2jtc s PHE 197 N -2.68 0.09 -0.04 0.00 -0.12 0.45 -3.65 117.98 112.03 2jtc s PHE 197 Ca 0.30 -0.56 0.03 0.00 -0.05 0.00 0.00 56.93 56.66 2jtc s PHE 197 Cb -0.00 0.55 -0.03 0.00 -0.63 0.00 0.00 43.02 42.91 2jtc s PHE 197 CO 0.14 -1.24 -0.12 0.08 -0.05 0.00 0.00 175.22 174.03 2jtc s VAL 198 N -3.57 3.22 -0.18 -2.49 1.01 -1.05 -1.14 120.40 116.20 2jtc s VAL 198 Ca 0.16 -0.70 -0.12 0.00 0.00 0.00 0.00 61.98 61.32 2jtc s VAL 198 Cb -0.04 -2.29 -0.05 0.00 0.00 0.00 0.00 36.38 34.00 2jtc s VAL 198 CO 0.09 0.56 0.21 -0.63 0.00 0.00 0.00 175.10 175.34 2jtc s ILE 199 N -0.78 5.36 -0.23 2.22 1.01 0.17 0.16 121.20 129.11 2jtc s ILE 199 Ca 0.12 0.36 0.16 0.00 0.00 0.00 0.00 60.65 61.30 2jtc s ILE 199 Cb -0.11 -3.55 0.39 0.00 0.01 0.00 0.00 42.46 39.21 2jtc s ILE 199 CO 0.01 0.42 1.28 -0.90 0.00 0.00 0.00 174.94 175.76 2jtc n ASP 200 N 3.48 -0.07 0.00 3.58 5.75 -0.07 -0.52 116.55 128.70 2jtc n ASP 200 Ca -0.14 -2.10 0.00 0.00 -0.01 0.00 0.00 54.79 52.54 2jtc n ASP 200 Cb 0.52 0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.73 2jtc n ASP 200 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jtc n GLY 201 N -0.77 -1.54 3.56 6.12 0.00 -1.20 0.29 105.19 111.64 2jtc n GLY 201 Ca -0.08 -1.08 -0.12 0.00 0.00 0.00 0.00 46.02 44.74 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 -1.95 -1.88 -0.28 4.61 0.00 0.48 -0.66 121.76 122.08 2jtc s ALA 202 Ca 0.00 1.47 0.10 0.00 0.00 0.00 0.00 51.96 53.53 2jtc s ALA 202 Cb 0.00 -0.43 0.53 0.00 0.00 0.00 0.00 23.12 23.22 2jtc s ALA 202 CO 0.00 -0.36 1.50 -0.25 0.00 0.00 0.00 175.76 176.65 2jtc n ASP 203 N 0.69 2.91 -1.57 0.00 8.00 -0.18 0.23 116.55 126.63 2jtc n ASP 203 Ca -0.12 -3.59 -0.10 0.00 0.71 0.00 0.00 54.79 51.68 2jtc n ASP 203 Cb 0.58 -0.63 -0.04 0.00 -0.02 0.00 0.00 41.12 41.01 2jtc n ASP 203 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jtc n GLY 204 N -0.99 0.64 2.70 0.44 0.00 -0.87 -4.74 105.19 102.37 2jtc n GLY 204 Ca 0.33 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.28 2jtc n GLY 204 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jtc n ARG 205 N -1.94 1.70 -1.69 1.61 1.74 -1.26 -4.32 116.66 112.50 2jtc n ARG 205 Ca -0.11 -3.50 -0.17 0.00 -0.77 0.00 0.00 57.85 53.30 2jtc n ARG 205 Cb 0.40 -1.54 -0.06 0.00 -1.02 0.00 0.00 32.46 30.25 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 -0.38 -5.06 -4.24 0.55 4.05 -1.26 -4.97 115.26 103.94 2jtc n ASN 206 Ca 0.12 0.32 -0.30 0.00 0.45 0.00 0.00 54.58 55.17 2jtc n ASN 206 Cb 0.81 -4.09 -0.16 0.00 1.23 0.00 0.00 39.78 37.57 2jtc n ASN 206 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 2jtc s PHE 207 N -2.69 2.22 0.37 1.20 0.08 -1.26 -5.02 117.98 112.87 2jtc s PHE 207 Ca 0.00 -0.59 0.08 0.00 0.12 0.00 0.00 56.93 56.54 2jtc s PHE 207 Cb 0.00 -1.45 -0.07 0.00 -0.57 0.00 0.00 43.02 40.93 2jtc s PHE 207 CO 0.00 -0.16 -0.03 0.71 -0.10 0.00 0.00 175.22 175.64 2jtc s TYR 208 N -0.24 2.37 -0.03 0.36 1.51 -1.26 -1.01 117.35 119.05 2jtc s TYR 208 Ca 0.00 -0.64 -0.17 0.00 -1.01 0.00 0.00 57.07 55.25 2jtc s TYR 208 Cb -0.12 -1.52 -0.05 0.00 -0.11 0.00 0.00 41.96 40.15 2jtc s TYR 208 CO 0.02 0.44 0.48 -1.58 -1.11 0.00 0.00 175.55 173.81 2jtc s HIS 209 N -2.76 3.65 -0.04 2.71 5.65 0.16 -1.08 115.29 123.58 2jtc s HIS 209 Ca 0.34 1.02 0.05 0.00 0.25 0.00 0.00 55.06 56.72 2jtc s HIS 209 Cb 0.07 -2.46 -0.01 0.00 -1.18 0.00 0.00 32.58 28.99 2jtc s HIS 209 CO 0.17 0.42 -0.20 0.08 -0.65 0.00 0.00 174.74 174.55 2jtc s VAL 210 N -0.32 1.68 -0.85 0.89 1.01 -1.15 -0.89 120.40 120.77 2jtc s VAL 210 Ca 0.26 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.38 2jtc s VAL 210 Cb -0.17 -1.42 0.22 0.00 0.00 0.00 0.00 36.38 35.00 2jtc s VAL 210 CO 0.14 0.48 0.75 -3.20 0.00 0.00 0.00 175.10 173.26 2jtc n ASN 211 N 2.97 4.02 -3.95 3.32 2.85 0.12 -1.62 115.26 122.97 2jtc n ASN 211 Ca -0.17 -3.19 -0.27 0.00 -0.11 0.00 0.00 54.58 50.84 2jtc n ASN 211 Cb 0.53 -0.97 0.10 0.00 1.24 0.00 0.00 39.78 40.68 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 2.06 -1.60 0.37 1.20 7.02 -1.26 -2.54 117.44 122.68 2jtc n TRP 212 Ca 0.22 0.33 -0.03 0.00 -1.02 0.00 0.00 57.50 57.00 2jtc n TRP 212 Cb 0.37 -1.44 0.09 0.00 -2.42 0.00 0.00 31.31 27.91 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 2.71 2.40 0.00 6.99 0.00 -1.24 -4.78 105.19 111.26 2jtc n GLY 213 Ca 0.01 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 0.09 -0.92 0.00 1.61 7.02 -1.26 -4.38 117.44 119.59 2jtc n TRP 214 Ca 0.14 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.62 2jtc n TRP 214 Cb 0.72 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.61 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 1.21 2.56 6.99 0.00 -1.26 -4.68 105.19 115.02 2jtc n GLY 215 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2jtc n GLY 215 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jtc n GLY 216 N 2.57 3.41 0.00 -0.02 0.00 -1.26 -4.97 105.19 104.92 2jtc n GLY 216 Ca 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.41 0.00 -0.66 1.61 3.14 -1.26 -4.61 118.33 116.14 2jtc n VAL 217 Ca 0.21 0.00 -0.16 0.00 -2.96 0.00 0.00 64.34 61.43 2jtc n VAL 217 Cb 0.80 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 33.54 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 4.16 -4.49 6.55 7.64 -1.26 -4.82 113.62 121.41 2jtc n SER 218 Ca 0.00 -2.22 -0.43 0.00 1.01 0.00 0.00 58.87 57.23 2jtc n SER 218 Cb 0.00 -0.98 -0.08 0.00 -1.01 0.00 0.00 64.21 62.14 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 3.10 6.24 0.00 6.43 1.11 -1.26 -4.48 116.67 127.81 2jtc s ASP 219 Ca 0.38 -0.61 0.00 0.00 0.18 0.00 0.00 52.55 52.49 2jtc s ASP 219 Cb 0.13 -2.26 0.00 0.00 1.07 0.00 0.00 42.92 41.85 2jtc s ASP 219 CO -0.02 -0.68 0.00 0.61 1.18 0.00 0.00 175.17 176.25 2jtc n GLY 220 N 5.10 0.98 3.89 0.21 0.00 -0.64 -4.93 105.19 109.80 2jtc n GLY 220 Ca -0.05 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 2jtc n GLY 220 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jtc s PHE 221 N 0.00 3.49 0.33 1.61 0.40 -1.26 -2.95 117.98 119.60 2jtc s PHE 221 Ca 0.00 0.65 0.06 0.00 -0.60 0.00 0.00 56.93 57.04 2jtc s PHE 221 Cb 0.00 -2.07 -0.01 0.00 0.51 0.00 0.00 43.02 41.45 2jtc s PHE 221 CO 0.00 0.42 0.48 -0.59 0.70 0.00 0.00 175.22 176.23 2jtc s PHE 222 N -1.64 3.15 0.12 0.36 -0.71 -0.24 -4.30 117.98 114.72 2jtc s PHE 222 Ca 0.41 -0.17 0.08 0.00 -1.04 0.00 0.00 56.93 56.21 2jtc s PHE 222 Cb -0.12 -1.98 -0.04 0.00 -1.21 0.00 0.00 43.02 39.67 2jtc s PHE 222 CO 0.23 0.00 -0.19 1.03 -1.34 0.00 0.00 175.22 174.95 2jtc s ARG 223 N -4.19 1.13 -0.13 1.99 0.52 -1.26 -4.79 118.95 112.24 2jtc s ARG 223 Ca 0.44 -1.21 0.02 0.00 -0.52 0.00 0.00 55.73 54.46 2jtc s ARG 223 Cb -0.10 -1.31 -0.09 0.00 0.52 0.00 0.00 34.95 33.97 2jtc s ARG 223 CO 0.31 0.29 -0.09 1.47 0.02 0.00 0.00 175.30 177.30 2jtc n LEU 224 N 0.88 2.55 -0.48 2.53 -0.00 -1.26 -4.55 117.00 116.68 2jtc n LEU 224 Ca -0.18 -0.06 0.12 0.00 -0.00 0.00 0.00 56.01 55.90 2jtc n LEU 224 Cb 0.55 -0.35 0.26 0.00 -0.00 0.00 0.00 43.42 43.87 2jtc n LEU 224 CO 0.24 0.65 0.60 0.47 -0.00 0.00 0.00 177.39 179.35 2jtc n ASP 225 N -2.81 1.71 -3.85 1.45 8.00 -1.26 -4.58 116.55 115.21 2jtc n ASP 225 Ca -0.22 -1.37 -0.29 0.00 0.71 0.00 0.00 54.79 53.62 2jtc n ASP 225 Cb 0.76 0.18 -0.13 0.00 -0.02 0.00 0.00 41.12 41.91 2jtc n ASP 225 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jtc s ALA 226 N -2.31 3.10 -1.53 2.24 0.00 -1.26 -4.88 121.76 117.12 2jtc s ALA 226 Ca 0.26 -3.25 0.26 0.00 0.00 0.00 0.00 51.96 49.23 2jtc s ALA 226 Cb 0.19 -2.07 0.72 0.00 0.00 0.00 0.00 23.12 21.97 2jtc s ALA 226 CO 0.46 -2.05 1.55 1.47 0.00 0.00 0.00 175.76 177.19 2jtc n LEU 227 N 2.83 0.83 -4.26 0.00 -0.00 -1.26 -4.65 117.00 110.49 2jtc n LEU 227 Ca 0.12 -0.16 -0.40 0.00 -0.00 0.00 0.00 56.01 55.57 2jtc n LEU 227 Cb 0.34 -0.17 -0.10 0.00 -0.00 0.00 0.00 43.42 43.49 2jtc n LEU 227 CO 0.28 0.16 -0.13 0.21 -0.00 0.00 0.00 177.39 177.92 2jtc s ASN 228 N -2.64 5.57 0.55 1.45 3.84 -1.26 -4.08 114.94 118.36 2jtc s ASN 228 Ca 0.21 -1.50 0.00 0.00 0.21 0.00 0.00 52.86 51.78 2jtc s ASN 228 Cb 0.19 -1.96 0.00 0.00 -0.55 0.00 0.00 41.25 38.93 2jtc s ASN 228 CO 0.57 -0.51 0.00 -0.81 -2.79 0.00 0.00 177.10 173.56 2jtc n PRO 229 N 4.88 0.30 -1.77 0.43 -0.04 -1.26 -4.90 135.00 132.64 2jtc n PRO 229 Ca -0.10 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.00 2jtc n PRO 229 Cb 0.43 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.87 2jtc n PRO 229 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2jtc n SER 230 N -1.64 7.77 -0.07 3.54 7.64 -1.26 -4.62 113.62 124.97 2jtc n SER 230 Ca 0.00 -3.04 -0.13 0.00 1.01 0.00 0.00 58.87 56.71 2jtc n SER 230 Cb 0.00 -1.37 -0.06 0.00 -1.01 0.00 0.00 64.21 61.77 2jtc n SER 230 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jtc h ALA 231 N 4.31 0.32 -3.00 -0.43 0.00 -2.01 -3.36 119.26 115.09 2jtc h ALA 231 Ca 0.65 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2jtc h ALA 231 Cb 0.42 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2jtc h ALA 231 CO 1.36 0.23 0.00 1.28 0.00 0.00 0.00 179.25 182.13 2jtc n LEU 232 N -4.44 0.00 0.00 0.00 4.77 -1.26 -4.94 117.00 111.12 2jtc n LEU 232 Ca -0.05 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 2jtc n LEU 232 Cb 0.39 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 2jtc n LEU 232 CO 0.41 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 2jtc n GLY 233 N -0.33 0.33 0.00 -0.72 0.00 -1.26 -4.26 105.19 98.96 2jtc n GLY 233 Ca 0.00 -1.80 0.14 0.00 0.00 0.00 0.00 46.02 44.36 2jtc n GLY 233 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2jtc n THR 234 N 0.00 0.00 -1.00 2.61 5.66 -1.26 -4.79 114.28 115.50 2jtc n THR 234 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2jtc n THR 234 Cb 0.00 -0.45 0.00 0.00 -1.55 0.00 0.00 70.33 68.33 2jtc n THR 234 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2jtc n GLY 235 N 0.92 1.24 0.00 1.09 0.00 -1.26 -5.14 105.19 102.04 2jtc n GLY 235 Ca 0.21 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.40 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 7.15 0.00 -0.02 0.00 -1.26 -5.05 105.19 111.00 2jtc n GLY 236 Ca 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.03 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 5.00 4.25 0.28 -0.02 0.00 -1.26 -4.87 105.19 108.58 2jtc n GLY 237 Ca 0.00 -0.62 0.19 0.00 0.00 0.00 0.00 46.02 45.59 2jtc n GLY 237 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jtc h ALA 238 N 0.00 1.00 0.00 4.61 0.00 -2.02 -3.48 119.26 119.37 2jtc h ALA 238 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jtc h ALA 238 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2jtc h ALA 238 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2jtc n GLY 239 N -0.62 0.67 2.68 0.00 0.00 -1.26 -4.99 105.19 101.66 2jtc n GLY 239 Ca -0.01 -2.15 -0.05 0.00 0.00 0.00 0.00 46.02 43.81 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 0.00 -0.65 0.00 -0.02 0.00 -1.26 -4.10 105.19 99.16 2jtc n GLY 240 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.44 2jtc n GLY 240 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2jtc n PHE 241 N 0.15 -1.68 -2.96 1.61 1.16 -1.26 -4.70 117.46 109.78 2jtc n PHE 241 Ca -0.08 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.08 2jtc n PHE 241 Cb 0.73 0.00 0.01 0.00 -1.61 0.00 0.00 39.48 38.61 2jtc n PHE 241 CO 0.00 0.00 0.00 -1.71 -1.87 0.00 0.00 176.76 173.18 2jtc n ASN 242 N -2.43 6.46 -0.03 5.98 4.05 -1.26 -4.00 115.26 124.03 2jtc n ASN 242 Ca 0.00 -3.47 -0.13 0.00 0.45 0.00 0.00 54.58 51.43 2jtc n ASN 242 Cb 0.00 -1.22 -0.10 0.00 1.23 0.00 0.00 39.78 39.68 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 5.15 0.03 -2.86 8.20 0.00 -1.88 -3.47 103.07 108.25 2jtc h GLY 243 Ca 0.25 -0.04 -0.25 0.00 0.00 0.00 0.00 47.33 47.29 2jtc h GLY 243 CO 1.29 0.04 -0.67 -0.19 0.00 0.00 0.00 176.54 177.00 2jtc s TYR 244 N -3.85 1.03 -0.21 5.60 2.02 -1.26 -5.00 117.35 115.67 2jtc s TYR 244 Ca -0.16 -1.01 -0.16 0.00 -0.37 0.00 0.00 57.07 55.36 2jtc s TYR 244 Cb 0.01 -0.59 0.06 0.00 -0.40 0.00 0.00 41.96 41.04 2jtc s TYR 244 CO 0.69 -0.23 0.54 -0.65 -1.57 0.00 0.00 175.55 174.32 2jtc s GLN 245 N -3.90 0.59 0.08 -0.62 -0.21 -1.26 -0.19 119.66 114.15 2jtc s GLN 245 Ca 0.19 0.84 -0.11 0.00 0.02 0.00 0.00 55.36 56.30 2jtc s GLN 245 Cb 0.06 0.21 0.01 0.00 1.00 0.00 0.00 33.01 34.29 2jtc s GLN 245 CO 0.00 -0.11 0.25 -1.54 -2.12 0.00 0.00 175.29 171.77 2jtc s SER 246 N 0.75 0.00 0.08 5.90 1.04 -1.17 -1.40 113.70 118.90 2jtc s SER 246 Ca -0.04 -0.49 0.05 0.00 0.48 0.00 0.00 55.95 55.95 2jtc s SER 246 Cb -0.05 0.36 -0.03 0.00 0.10 0.00 0.00 66.02 66.40 2jtc s SER 246 CO -0.06 -0.72 -0.13 0.00 0.98 0.00 0.00 173.24 173.31 2jtc s ALA 247 N -3.52 1.17 -0.23 5.32 0.00 -0.54 -2.43 121.76 121.52 2jtc s ALA 247 Ca 0.02 -1.04 -0.01 0.00 0.00 0.00 0.00 51.96 50.93 2jtc s ALA 247 Cb 0.03 -0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.10 2jtc s ALA 247 CO -0.09 0.13 -0.10 0.08 0.00 0.00 0.00 175.76 175.77 2jtc s VAL 248 N -1.50 2.65 0.02 0.00 1.01 0.45 -0.67 120.40 122.36 2jtc s VAL 248 Ca -0.00 -1.02 0.07 0.00 0.00 0.00 0.00 61.98 61.03 2jtc s VAL 248 Cb -0.09 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 2jtc s VAL 248 CO 0.02 0.28 -0.21 0.68 0.00 0.00 0.00 175.10 175.87 2jtc s VAL 249 N 1.31 1.68 0.00 2.92 -7.23 -1.11 -0.15 120.40 117.82 2jtc s VAL 249 Ca 0.01 -1.09 0.00 0.00 -1.81 0.00 0.00 61.98 59.08 2jtc s VAL 249 Cb -0.16 -1.44 0.00 0.00 0.56 0.00 0.00 36.38 35.34 2jtc s VAL 249 CO -0.06 0.31 0.00 0.61 -0.31 0.00 0.00 175.10 175.65 2jtc n GLY 250 N 2.11 0.78 3.26 2.32 0.00 -1.25 -2.90 105.19 109.50 2jtc n GLY 250 Ca -0.16 -0.48 -0.43 0.00 0.00 0.00 0.00 46.02 44.95 2jtc n GLY 250 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2jtc n ILE 251 N -0.55 4.24 -3.47 -0.61 5.41 -1.26 -0.85 119.36 122.26 2jtc n ILE 251 Ca 0.00 -5.35 -0.14 0.00 1.00 0.00 0.00 62.75 58.25 2jtc n ILE 251 Cb 0.20 -2.51 -0.04 0.00 -0.71 0.00 0.00 39.64 36.59 2jtc n ILE 251 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 2jtc s LYS 252 N -1.42 1.18 0.00 0.38 -2.85 -1.26 -4.88 119.74 110.89 2jtc s LYS 252 Ca 0.30 -0.19 0.27 0.00 -1.00 0.00 0.00 55.97 55.35 2jtc s LYS 252 Cb -0.08 0.55 1.61 0.00 -2.06 0.00 0.00 37.83 37.85 2jtc s LYS 252 CO -0.08 -0.46 1.96 -0.35 0.10 0.00 0.00 175.35 176.52