#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 -1.11 -3.81 3.69 -0.04 -1.26 -4.65 135.00 127.82 2jtc n PRO 2 Ca 0.00 -1.27 -0.15 0.00 -0.04 0.00 0.00 63.50 62.04 2jtc n PRO 2 Cb 0.00 -0.90 -0.16 0.00 -0.04 0.00 0.00 33.50 32.40 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 -2.75 -0.02 -0.05 0.52 1.01 -1.26 -3.05 120.40 114.80 2jtc s VAL 3 Ca 0.48 0.16 0.04 0.00 0.00 0.00 0.00 61.98 62.65 2jtc s VAL 3 Cb -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 36.38 36.27 2jtc s VAL 3 CO 0.34 0.08 -0.15 -0.69 0.00 0.00 0.00 175.10 174.67 2jtc s VAL 4 N 0.87 1.33 0.96 2.92 1.01 -0.12 -4.83 120.40 122.53 2jtc s VAL 4 Ca -0.07 -0.64 -0.16 0.00 0.00 0.00 0.00 61.98 61.11 2jtc s VAL 4 Cb -0.11 -1.16 0.23 0.00 0.00 0.00 0.00 36.38 35.34 2jtc s VAL 4 CO -0.02 0.39 1.02 0.29 0.00 0.00 0.00 175.10 176.78 2jtc n LYS 5 N 3.38 -2.09 -2.45 2.72 4.76 -1.26 0.26 118.16 123.48 2jtc n LYS 5 Ca -0.20 -1.60 -0.41 0.00 -2.87 0.00 0.00 58.31 53.23 2jtc n LYS 5 Cb 0.53 -1.30 -0.03 0.00 -1.84 0.00 0.00 35.03 32.39 2jtc n LYS 5 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2jtc s SER 6 N -4.50 6.16 0.18 4.39 1.04 -1.19 -3.33 113.70 116.44 2jtc s SER 6 Ca 0.62 0.10 -0.13 0.00 0.48 0.00 0.00 55.95 57.02 2jtc s SER 6 Cb -0.04 -2.55 0.11 0.00 0.10 0.00 0.00 66.02 63.64 2jtc s SER 6 CO 0.46 -1.72 1.80 -0.07 0.98 0.00 0.00 173.24 174.69 2jtc h LEU 7 N 13.00 0.43 -0.83 2.42 3.38 0.31 0.31 115.31 134.33 2jtc h LEU 7 Ca -0.27 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 2jtc h LEU 7 Cb 1.08 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.72 2jtc h LEU 7 CO 1.20 0.30 0.48 -0.07 0.09 0.00 0.00 178.44 180.44 2jtc h LEU 8 N 0.55 1.01 -0.81 1.67 3.38 -1.90 -1.62 115.31 117.60 2jtc h LEU 8 Ca 0.21 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 2jtc h LEU 8 Cb 0.07 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2jtc h LEU 8 CO -0.12 0.80 -0.07 -0.78 0.09 0.00 0.00 178.44 178.35 2jtc h ASP 9 N 1.14 0.80 0.00 -0.43 1.82 -1.59 0.36 116.42 118.53 2jtc h ASP 9 Ca 0.29 -0.23 0.00 0.00 -0.39 0.00 0.00 57.03 56.71 2jtc h ASP 9 Cb -0.01 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 39.78 2jtc h ASP 9 CO -0.05 0.91 0.10 0.77 -1.61 0.00 0.00 179.24 179.36 2jtc h SER 10 N 0.75 0.00 0.00 2.28 4.64 0.57 0.48 113.55 122.26 2jtc h SER 10 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2jtc h SER 10 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 2jtc h SER 10 CO 0.03 0.00 -0.04 0.29 -0.87 0.00 0.00 176.83 176.24 2jtc n LYS 11 N -2.44 1.51 -4.22 4.77 5.02 -0.14 -4.98 118.16 117.69 2jtc n LYS 11 Ca -0.02 -2.13 -0.33 0.00 -2.02 0.00 0.00 58.31 53.81 2jtc n LYS 11 Cb 0.14 -1.27 -0.05 0.00 -0.02 0.00 0.00 35.03 33.83 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 -1.06 -0.28 3.50 0.72 0.00 0.17 -4.64 105.19 103.60 2jtc n GLY 12 Ca 0.10 0.14 -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 -3.78 4.70 -0.36 -0.61 1.01 0.11 -2.47 121.20 119.80 2jtc s ILE 13 Ca 0.34 0.05 0.00 0.00 0.00 0.00 0.00 60.65 61.04 2jtc s ILE 13 Cb -0.19 -4.33 0.12 0.00 0.01 0.00 0.00 42.46 38.07 2jtc s ILE 13 CO 0.95 -0.79 0.16 -1.00 0.00 0.00 0.00 174.94 174.25 2jtc s HIS 14 N 3.12 1.78 0.65 3.97 3.76 0.74 -4.70 115.29 124.61 2jtc s HIS 14 Ca 0.24 -2.01 0.06 0.00 -0.15 0.00 0.00 55.06 53.20 2jtc s HIS 14 Cb -0.15 -1.75 0.12 0.00 1.11 0.00 0.00 32.58 31.91 2jtc s HIS 14 CO 0.18 -0.84 0.90 0.71 -0.85 0.00 0.00 174.74 174.84 2jtc s TYR 15 N 1.10 1.19 0.00 1.40 1.51 -1.25 -3.20 117.35 118.10 2jtc s TYR 15 Ca 0.13 -0.65 0.00 0.00 -1.01 0.00 0.00 57.07 55.55 2jtc s TYR 15 Cb -0.20 -2.46 0.00 0.00 -0.11 0.00 0.00 41.96 39.19 2jtc s TYR 15 CO -0.13 -1.48 0.00 -1.71 -1.11 0.00 0.00 175.55 171.11 2jtc n ASN 16 N -2.51 0.00 0.00 2.29 5.15 -1.26 -4.88 115.26 114.05 2jtc n ASN 16 Ca 0.17 -0.48 0.00 0.00 -0.60 0.00 0.00 54.58 53.67 2jtc n ASN 16 Cb 0.62 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.87 2jtc n ASN 16 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jtc n GLN 17 N 0.00 1.97 -0.02 1.20 6.02 -1.26 -4.73 117.38 120.55 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 -0.89 -0.03 0.00 1.02 0.00 0.00 30.24 30.34 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 2.12 -0.17 0.00 1.08 0.00 -1.26 -0.42 105.19 106.53 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 -2.32 0.00 0.00 1.61 4.05 -1.26 -3.50 115.26 113.84 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 0.63 0.00 0.44 0.00 1.23 0.00 0.00 39.78 42.08 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 0.68 0.09 1.20 -0.04 -1.26 -2.41 135.00 133.26 2jtc n PRO 20 Ca 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.43 2jtc n PRO 20 Cb 0.00 -1.34 -0.06 0.00 -0.04 0.00 0.00 33.50 32.06 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 0.00 -0.57 0.54 -1.99 -1.88 -3.18 116.97 109.88 2jtc h TYR 21 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2jtc h TYR 21 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 2jtc h TYR 21 CO 0.00 0.79 0.00 0.27 -0.00 0.00 0.00 178.16 179.22 2jtc n ASN 22 N -3.29 4.67 0.00 3.88 6.94 -1.01 -4.24 115.26 122.21 2jtc n ASN 22 Ca 0.00 -2.54 0.08 0.00 -0.02 0.00 0.00 54.58 52.10 2jtc n ASN 22 Cb 0.86 -0.59 0.45 0.00 -2.36 0.00 0.00 39.78 38.14 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 0.87 0.00 0.00 -4.53 4.77 -1.20 -2.76 117.00 114.15 2jtc n LEU 23 Ca 0.24 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 2jtc n LEU 23 Cb 0.91 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.83 2jtc n LEU 23 CO 0.24 -0.08 0.05 0.18 -1.33 0.00 0.00 177.39 176.45 2jtc n LEU 24 N -1.17 0.19 -4.58 2.23 4.77 -1.26 -5.01 117.00 112.16 2jtc n LEU 24 Ca 0.10 -0.35 -0.30 0.00 -0.03 0.00 0.00 56.01 55.43 2jtc n LEU 24 Cb 0.10 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.40 2jtc n LEU 24 CO 0.11 0.05 0.60 0.42 -1.33 0.00 0.00 177.39 177.24 2jtc s THR 25 N -0.33 2.06 0.23 -5.08 -4.23 -1.11 -4.86 115.64 102.32 2jtc s THR 25 Ca 0.00 0.02 -0.30 0.00 -1.18 0.00 0.00 61.69 60.23 2jtc s THR 25 Cb 0.00 -2.06 -0.09 0.00 1.34 0.00 0.00 72.50 71.69 2jtc s THR 25 CO 0.00 -0.03 1.26 -2.16 -0.54 0.00 0.00 174.62 173.16 2jtc s PRO 26 N -4.56 4.43 0.38 3.99 0.04 -1.26 -4.58 135.00 133.44 2jtc s PRO 26 Ca 0.67 2.02 -0.19 0.00 0.04 0.00 0.00 61.00 63.55 2jtc s PRO 26 Cb -0.24 -3.18 -0.10 0.00 0.04 0.00 0.00 34.50 31.02 2jtc s PRO 26 CO 0.61 -0.15 0.86 0.08 0.04 0.00 0.00 177.00 178.44 2jtc s VAL 27 N -0.33 4.51 0.48 -0.36 1.01 -1.26 -0.49 120.40 123.95 2jtc s VAL 27 Ca 0.53 1.27 -0.20 0.00 0.00 0.00 0.00 61.98 63.59 2jtc s VAL 27 Cb -0.36 -3.61 -0.09 0.00 0.00 0.00 0.00 36.38 32.32 2jtc s VAL 27 CO 0.41 -0.25 0.99 -0.63 0.00 0.00 0.00 175.10 175.62 2jtc s ILE 28 N -2.09 4.15 0.00 2.22 1.01 0.18 -4.83 121.20 121.85 2jtc s ILE 28 Ca 0.58 1.27 0.00 0.00 0.00 0.00 0.00 60.65 62.50 2jtc s ILE 28 Cb -0.10 -3.55 0.00 0.00 0.01 0.00 0.00 42.46 38.83 2jtc s ILE 28 CO 0.15 -0.36 0.00 -0.62 0.00 0.00 0.00 174.94 174.11 2jtc n GLU 29 N -1.00 1.90 -4.55 2.79 1.02 -1.09 0.04 120.64 119.75 2jtc n GLU 29 Ca 0.08 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.96 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 -1.50 1.85 0.10 3.49 1.02 0.84 -4.81 119.74 120.72 2jtc s LYS 30 Ca 0.00 -2.05 0.08 0.00 0.02 0.00 0.00 55.97 54.01 2jtc s LYS 30 Cb 0.00 -1.25 -0.04 0.00 -0.52 0.00 0.00 37.83 36.03 2jtc s LYS 30 CO 0.00 -0.16 -0.14 0.08 -0.92 0.00 0.00 175.35 174.22 2jtc s VAL 31 N -3.00 3.13 -0.08 3.17 1.01 -1.24 -4.26 120.40 119.13 2jtc s VAL 31 Ca 0.33 -1.35 -0.25 0.00 0.00 0.00 0.00 61.98 60.71 2jtc s VAL 31 Cb 0.08 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 2jtc s VAL 31 CO 0.16 0.12 0.77 -0.75 0.00 0.00 0.00 175.10 175.40 2jtc s LYS 32 N -2.12 4.42 -0.14 2.72 2.20 -1.21 -4.71 119.74 120.89 2jtc s LYS 32 Ca 0.20 0.99 -0.29 0.00 -0.36 0.00 0.00 55.97 56.50 2jtc s LYS 32 Cb -0.11 -3.48 -0.03 0.00 -1.51 0.00 0.00 37.83 32.69 2jtc s LYS 32 CO 0.12 -0.05 1.54 -1.25 -0.36 0.00 0.00 175.35 175.34 2jtc s PRO 33 N 1.18 4.06 0.00 4.03 0.04 -1.26 -2.14 135.00 140.91 2jtc s PRO 33 Ca 0.40 1.87 0.00 0.00 0.04 0.00 0.00 61.00 63.31 2jtc s PRO 33 Cb -0.18 -3.95 0.00 0.00 0.04 0.00 0.00 34.50 30.41 2jtc s PRO 33 CO 0.18 -0.97 0.00 0.41 0.04 0.00 0.00 177.00 176.66 2jtc n GLY 34 N 4.19 1.21 2.93 0.56 0.00 -1.26 -5.09 105.19 107.73 2jtc n GLY 34 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.55 0.62 -1.92 1.61 4.07 -0.91 -5.17 120.64 117.39 2jtc n GLU 35 Ca 0.00 -2.42 -0.30 0.00 -0.06 0.00 0.00 57.16 54.39 2jtc n GLU 35 Cb 0.00 2.34 0.17 0.00 -0.06 0.00 0.00 31.44 33.90 2jtc n GLU 35 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 2jtc s GLN 36 N -2.68 0.80 0.01 5.31 -0.21 -1.26 -4.82 119.66 116.82 2jtc s GLN 36 Ca 0.25 -0.34 -0.26 0.00 0.02 0.00 0.00 55.36 55.04 2jtc s GLN 36 Cb -0.01 -1.86 -0.05 0.00 1.00 0.00 0.00 33.01 32.10 2jtc s GLN 36 CO 0.18 -2.32 0.79 0.45 -2.12 0.00 0.00 175.29 172.27 2jtc s SER 37 N -4.84 7.19 -0.12 5.90 0.15 -1.26 -4.36 113.70 116.37 2jtc s SER 37 Ca 0.72 1.43 0.15 0.00 0.70 0.00 0.00 55.95 58.95 2jtc s SER 37 Cb -0.05 -2.47 0.27 0.00 -1.71 0.00 0.00 66.02 62.05 2jtc s SER 37 CO 0.52 -0.06 1.14 0.49 1.20 0.00 0.00 173.24 176.53 2jtc n PHE 38 N 3.22 0.00 -2.18 3.44 3.72 -1.26 -5.02 117.46 119.38 2jtc n PHE 38 Ca -0.01 -0.89 -0.41 0.00 -0.05 0.00 0.00 57.45 56.10 2jtc n PHE 38 Cb 0.51 -0.15 -0.03 0.00 -0.94 0.00 0.00 39.48 38.87 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 -2.36 2.88 0.00 -4.37 1.01 -1.26 -1.90 120.40 114.41 2jtc s VAL 39 Ca 0.28 0.86 0.00 0.00 0.00 0.00 0.00 61.98 63.12 2jtc s VAL 39 Cb 0.25 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 33.08 2jtc s VAL 39 CO 0.00 0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.91 2jtc n GLY 40 N 1.10 0.90 3.71 4.51 0.00 0.11 -4.91 105.19 110.61 2jtc n GLY 40 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.04 4.44 -0.36 1.61 -0.21 -0.80 -4.71 119.66 119.60 2jtc s GLN 41 Ca 0.00 0.92 -0.29 0.00 0.02 0.00 0.00 55.36 56.01 2jtc s GLN 41 Cb 0.00 -3.45 -0.00 0.00 1.00 0.00 0.00 33.01 30.56 2jtc s GLN 41 CO 0.00 0.05 1.48 -1.01 -2.12 0.00 0.00 175.29 173.69 2jtc s HIS 42 N 0.85 2.31 0.88 0.91 3.76 -1.26 0.50 115.29 123.24 2jtc s HIS 42 Ca 0.38 0.68 -0.14 0.00 -0.15 0.00 0.00 55.06 55.84 2jtc s HIS 42 Cb -0.18 -4.18 0.02 0.00 1.11 0.00 0.00 32.58 29.35 2jtc s HIS 42 CO 0.19 -2.21 0.49 0.00 -0.85 0.00 0.00 174.74 172.35 2jtc n ALA 43 N 8.83 -2.15 -1.50 -1.40 0.00 0.35 -4.87 120.51 119.76 2jtc n ALA 43 Ca 0.18 -0.49 -0.29 0.00 0.00 0.00 0.00 53.44 52.83 2jtc n ALA 43 Cb 0.47 -1.84 0.13 0.00 0.00 0.00 0.00 19.45 18.22 2jtc n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jtc s ALA 44 N -2.25 1.75 0.07 0.00 0.00 -0.88 -4.63 121.76 115.81 2jtc s ALA 44 Ca 0.60 -0.47 -0.03 0.00 0.00 0.00 0.00 51.96 52.06 2jtc s ALA 44 Cb -0.25 -3.05 -0.28 0.00 0.00 0.00 0.00 23.12 19.54 2jtc s ALA 44 CO 0.64 -2.27 1.10 1.79 0.00 0.00 0.00 175.76 177.02 2jtc h THR 45 N -1.49 1.46 0.00 0.00 1.35 -1.06 -3.40 112.91 109.77 2jtc h THR 45 Ca -0.50 -3.05 0.00 0.00 -0.55 0.00 0.00 66.41 62.31 2jtc h THR 45 Cb 1.33 2.91 0.00 0.00 -1.73 0.00 0.00 68.15 70.65 2jtc h THR 45 CO 0.61 0.88 0.00 0.61 -0.25 0.00 0.00 175.52 177.38 2jtc n GLY 46 N 1.54 2.22 0.16 5.82 0.00 -1.24 -4.36 105.19 109.33 2jtc n GLY 46 Ca -0.09 -1.46 -0.08 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.36 -0.54 1.61 4.64 -1.90 0.13 113.55 117.14 2jtc h SER 47 Ca 0.00 0.09 0.10 0.00 -0.47 0.00 0.00 61.79 61.50 2jtc h SER 47 Cb 0.00 0.20 -0.11 0.00 -0.31 0.00 0.00 62.40 62.18 2jtc h SER 47 CO 0.00 -0.14 -0.32 0.58 -0.87 0.00 0.00 176.83 176.08 2jtc h VAL 48 N -0.09 0.20 0.12 0.95 2.07 -1.81 1.30 116.25 118.99 2jtc h VAL 48 Ca 0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.64 2jtc h VAL 48 Cb 0.26 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 2jtc h VAL 48 CO -0.27 0.00 -0.12 0.00 0.02 0.00 0.00 177.57 177.21 2jtc h ALA 49 N 0.98 -0.23 -0.34 1.67 0.00 -1.43 -1.44 119.26 118.47 2jtc h ALA 49 Ca 0.22 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 2jtc h ALA 49 Cb 0.54 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2jtc h ALA 49 CO -0.64 -0.64 0.03 1.15 0.00 0.00 0.00 179.25 179.15 2jtc h THR 50 N -0.26 1.19 -0.68 0.00 2.02 0.72 0.68 112.91 116.58 2jtc h THR 50 Ca 0.01 -0.71 -0.04 0.00 0.77 0.00 0.00 66.41 66.43 2jtc h THR 50 Cb 0.25 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 2jtc h THR 50 CO -0.03 0.25 0.26 0.00 0.37 0.00 0.00 175.52 176.36 2jtc h ALA 51 N 1.54 0.89 -0.01 6.16 0.00 0.22 -1.01 119.26 127.04 2jtc h ALA 51 Ca 0.11 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2jtc h ALA 51 Cb 0.28 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2jtc h ALA 51 CO 0.01 0.52 -0.09 1.15 0.00 0.00 0.00 179.25 180.83 2jtc h THR 52 N 0.97 1.56 -0.89 0.00 2.02 -0.52 -3.07 112.91 112.98 2jtc h THR 52 Ca 0.23 -1.76 0.14 0.00 0.77 0.00 0.00 66.41 65.79 2jtc h THR 52 Cb 0.23 2.70 -0.09 0.00 -1.74 0.00 0.00 68.15 69.25 2jtc h THR 52 CO -0.02 0.47 0.49 0.00 0.37 0.00 0.00 175.52 176.83 2jtc h ALA 53 N 0.29 1.36 0.17 6.16 0.00 0.47 1.49 119.26 129.19 2jtc h ALA 53 Ca -0.01 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2jtc h ALA 53 Cb 0.82 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2jtc h ALA 53 CO 0.02 -0.03 -0.08 1.96 0.00 0.00 0.00 179.25 181.12 2jtc h GLN 54 N 0.71 -0.21 0.00 0.00 4.20 -1.24 0.67 115.11 119.24 2jtc h GLN 54 Ca 0.48 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 59.17 2jtc h GLN 54 Cb 0.64 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.47 2jtc h GLN 54 CO -0.34 -0.14 -0.15 0.82 -0.67 0.00 0.00 178.83 178.35 2jtc h ILE 55 N -0.23 0.92 -0.31 2.54 2.04 -1.02 0.87 117.51 122.31 2jtc h ILE 55 Ca -0.02 -0.56 -0.11 0.00 1.00 0.00 0.00 64.86 65.16 2jtc h ILE 55 Cb 0.18 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 2jtc h ILE 55 CO 0.04 0.15 -0.27 0.24 0.00 0.00 0.00 178.15 178.31 2jtc h MET 56 N 0.00 0.63 0.02 2.37 2.86 0.38 -2.49 114.93 118.70 2jtc h MET 56 Ca -0.00 -0.26 -0.21 0.00 -2.06 0.00 0.00 59.70 57.17 2jtc h MET 56 Cb 0.31 -0.03 0.02 0.00 0.06 0.00 0.00 31.60 31.96 2jtc h MET 56 CO 0.02 0.84 -0.82 -0.22 1.06 0.00 0.00 176.91 177.79 2jtc h LYS 57 N 0.55 0.52 -0.64 1.72 1.63 0.28 0.70 116.57 121.32 2jtc h LYS 57 Ca 0.07 -0.58 0.19 0.00 -0.85 0.00 0.00 60.65 59.47 2jtc h LYS 57 Cb 0.74 0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 32.52 2jtc h LYS 57 CO 0.06 1.21 0.47 -0.92 -3.45 0.00 0.00 179.45 176.83 2jtc h TYR 58 N 0.07 0.00 0.00 1.91 5.03 0.85 -1.81 116.97 123.02 2jtc h TYR 58 Ca -0.11 0.00 -0.16 0.00 2.58 0.00 0.00 58.73 61.04 2jtc h TYR 58 Cb 1.52 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 39.77 2jtc h TYR 58 CO 0.13 0.00 -1.89 0.72 -1.32 0.00 0.00 178.16 175.80 2jtc n HIS 59 N -4.29 0.00 -3.91 -3.82 8.25 -0.96 -5.00 115.22 105.50 2jtc n HIS 59 Ca 0.12 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.20 2jtc n HIS 59 Cb 0.73 -0.58 0.03 0.00 1.12 0.00 0.00 29.99 31.28 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 -2.34 -4.31 0.00 0.41 4.13 0.24 -4.90 115.26 108.49 2jtc n ASN 60 Ca -0.15 -1.16 0.00 0.00 1.68 0.00 0.00 54.58 54.94 2jtc n ASN 60 Cb 0.75 -2.49 0.00 0.00 -1.54 0.00 0.00 39.78 36.50 2jtc n ASN 60 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2jtc n TYR 61 N -4.63 0.00 -1.92 3.10 9.36 -1.25 -4.70 117.16 117.11 2jtc n TYR 61 Ca -0.12 0.00 -0.32 0.00 3.32 0.00 0.00 57.90 60.78 2jtc n TYR 61 Cb 0.59 -0.39 -0.04 0.00 -0.63 0.00 0.00 39.34 38.87 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 -0.98 2.42 0.57 2.98 0.04 -1.26 -4.72 135.00 134.05 2jtc s PRO 62 Ca 0.00 0.46 0.35 0.00 0.04 0.00 0.00 61.00 61.86 2jtc s PRO 62 Cb 0.00 -4.65 1.55 0.00 0.04 0.00 0.00 34.50 31.44 2jtc s PRO 62 CO 0.00 -3.17 2.06 -0.91 0.04 0.00 0.00 177.00 175.02 2jtc h ASN 63 N 14.43 0.00 -3.93 6.66 4.21 -1.84 -3.40 115.58 131.72 2jtc h ASN 63 Ca -0.13 0.00 -0.33 0.00 1.21 0.00 0.00 56.30 57.05 2jtc h ASN 63 Cb 1.12 0.00 -0.28 0.00 -1.12 0.00 0.00 38.32 38.03 2jtc h ASN 63 CO 1.19 0.02 -0.76 -0.75 -1.29 0.00 0.00 177.43 175.84 2jtc s LYS 64 N -3.78 0.46 0.48 0.81 2.20 -1.26 -0.99 119.74 117.66 2jtc s LYS 64 Ca -0.00 -0.21 -0.23 0.00 -0.36 0.00 0.00 55.97 55.17 2jtc s LYS 64 Cb 0.10 -0.44 -0.07 0.00 -1.51 0.00 0.00 37.83 35.90 2jtc s LYS 64 CO 0.52 0.12 1.29 0.41 -0.36 0.00 0.00 175.35 177.33 2jtc n GLY 65 N 2.93 0.59 0.07 5.54 0.00 -1.03 -4.90 105.19 108.38 2jtc n GLY 65 Ca -0.13 0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 2jtc n GLY 65 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2jtc h LEU 66 N 1.73 0.00 -7.58 0.99 6.46 -1.62 -3.38 115.31 111.91 2jtc h LEU 66 Ca -0.49 -0.52 -0.17 0.00 -0.12 0.00 0.00 57.88 56.58 2jtc h LEU 66 Cb 1.30 0.00 -0.25 0.00 -0.73 0.00 0.00 40.66 40.98 2jtc h LEU 66 CO 0.58 0.93 -0.49 -0.75 -0.62 0.00 0.00 178.44 178.09 2jtc s LYS 67 N -2.07 0.29 1.12 1.25 2.20 -1.17 -4.47 119.74 116.89 2jtc s LYS 67 Ca -0.15 0.10 -0.14 0.00 -0.36 0.00 0.00 55.97 55.42 2jtc s LYS 67 Cb 0.00 0.13 0.25 0.00 -1.51 0.00 0.00 37.83 36.70 2jtc s LYS 67 CO 0.43 -0.05 1.06 -0.51 -0.36 0.00 0.00 175.35 175.92 2jtc s ASP 68 N -0.27 1.56 0.16 1.43 1.01 -1.26 -3.49 116.67 115.80 2jtc s ASP 68 Ca -0.04 1.16 -0.10 0.00 0.71 0.00 0.00 52.55 54.29 2jtc s ASP 68 Cb -0.03 -1.80 -0.00 0.00 1.01 0.00 0.00 42.92 42.10 2jtc s ASP 68 CO 0.01 -3.79 0.30 -0.47 0.21 0.00 0.00 175.17 171.43 2jtc s TYR 69 N -2.77 0.29 0.06 4.23 6.14 -0.75 -4.81 117.35 119.73 2jtc s TYR 69 Ca 0.67 -0.66 -0.27 0.00 0.64 0.00 0.00 57.07 57.45 2jtc s TYR 69 Cb -0.19 0.01 0.09 0.00 0.42 0.00 0.00 41.96 42.28 2jtc s TYR 69 CO 0.60 -0.72 0.87 -0.08 0.64 0.00 0.00 175.55 176.85 2jtc s THR 70 N -3.94 0.00 -0.07 4.34 -1.32 -1.26 -0.24 115.64 113.15 2jtc s THR 70 Ca 0.14 -0.18 -0.29 0.00 -1.21 0.00 0.00 61.69 60.15 2jtc s THR 70 Cb 0.03 -1.25 0.11 0.00 -1.51 0.00 0.00 72.50 69.87 2jtc s THR 70 CO -0.02 0.00 0.89 -0.72 -2.21 0.00 0.00 174.62 172.56 2jtc s TYR 71 N -3.25 -0.40 -0.03 9.09 1.13 -0.58 -4.96 117.35 118.34 2jtc s TYR 71 Ca 0.06 0.51 -0.16 0.00 -1.41 0.00 0.00 57.07 56.07 2jtc s TYR 71 Cb -0.01 0.49 -0.05 0.00 -1.10 0.00 0.00 41.96 41.28 2jtc s TYR 71 CO -0.07 -0.48 0.42 0.99 -2.51 0.00 0.00 175.55 173.91 2jtc s THR 72 N -2.08 5.07 0.63 -3.49 2.01 -1.26 -0.64 115.64 115.88 2jtc s THR 72 Ca -0.00 0.86 -0.18 0.00 0.31 0.00 0.00 61.69 62.69 2jtc s THR 72 Cb -0.01 -3.74 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 2jtc s THR 72 CO -0.02 0.51 0.86 -0.11 -0.69 0.00 0.00 174.62 175.17 2jtc n LEU 73 N 2.37 3.06 -4.77 4.42 7.94 0.29 -4.89 117.00 125.42 2jtc n LEU 73 Ca -0.12 0.75 -0.40 0.00 -1.11 0.00 0.00 56.01 55.12 2jtc n LEU 73 Cb 0.52 -1.35 0.00 0.00 0.53 0.00 0.00 43.42 43.13 2jtc n LEU 73 CO 0.39 -2.18 1.07 -0.55 -1.11 0.00 0.00 177.39 175.01 2jtc s SER 74 N -1.34 6.17 0.00 1.96 0.15 -1.26 -4.81 113.70 114.58 2jtc s SER 74 Ca 0.74 2.92 0.14 0.00 0.70 0.00 0.00 55.95 60.45 2jtc s SER 74 Cb -0.40 -2.66 0.78 0.00 -1.71 0.00 0.00 66.02 62.04 2jtc s SER 74 CO 0.49 -0.97 1.34 -0.24 1.20 0.00 0.00 173.24 175.06 2jtc n SER 75 N 0.17 0.00 -0.26 5.45 2.88 -1.26 -1.52 113.62 119.07 2jtc n SER 75 Ca 0.03 -0.15 0.11 0.00 -1.33 0.00 0.00 58.87 57.53 2jtc n SER 75 Cb 0.41 -0.16 -0.05 0.00 -0.75 0.00 0.00 64.21 63.66 2jtc n SER 75 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2jtc n ASN 76 N -1.16 1.53 -4.60 -3.46 4.13 -1.26 -4.89 115.26 105.55 2jtc n ASN 76 Ca 0.09 -1.26 -0.43 0.00 1.68 0.00 0.00 54.58 54.66 2jtc n ASN 76 Cb 0.09 0.71 -0.03 0.00 -1.54 0.00 0.00 39.78 39.01 2jtc n ASN 76 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 2jtc s ASN 77 N -2.73 6.01 -0.07 6.41 3.84 -0.58 -4.84 114.94 123.00 2jtc s ASN 77 Ca 0.14 1.17 0.08 0.00 0.21 0.00 0.00 52.86 54.45 2jtc s ASN 77 Cb 0.17 -2.53 0.34 0.00 -0.55 0.00 0.00 41.25 38.68 2jtc s ASN 77 CO 0.71 -1.64 1.13 -0.81 -2.79 0.00 0.00 177.10 173.71 2jtc n PRO 78 N 8.34 2.38 -0.04 0.43 -0.04 -1.26 -3.96 135.00 140.84 2jtc n PRO 78 Ca 0.21 -1.33 -0.01 0.00 -0.04 0.00 0.00 63.50 62.33 2jtc n PRO 78 Cb 0.47 -1.62 -0.11 0.00 -0.04 0.00 0.00 33.50 32.20 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 0.35 0.00 -4.46 0.54 4.01 -1.26 -3.35 117.16 113.00 2jtc n TYR 79 Ca 0.12 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.61 2jtc n TYR 79 Cb 0.53 -0.55 -0.10 0.00 -0.31 0.00 0.00 39.34 38.91 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 -2.59 2.42 0.00 -0.72 0.40 -1.25 0.29 117.98 116.52 2jtc s PHE 80 Ca -0.06 -0.40 0.00 0.00 -0.60 0.00 0.00 56.93 55.87 2jtc s PHE 80 Cb 0.06 -1.25 0.00 0.00 0.51 0.00 0.00 43.02 42.34 2jtc s PHE 80 CO 0.58 0.62 0.52 0.09 0.70 0.00 0.00 175.22 177.73 2jtc n ASN 81 N -0.77 0.00 0.00 1.36 3.02 -1.26 -4.91 115.26 112.70 2jtc n ASN 81 Ca -0.05 0.52 0.00 0.00 -0.03 0.00 0.00 54.58 55.02 2jtc n ASN 81 Cb 0.62 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.76 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 -0.93 0.00 -1.02 3.10 8.25 -1.26 -4.95 115.22 118.41 2jtc n HIS 82 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.20 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 2.71 -3.57 -0.41 -0.04 -1.26 -4.20 135.00 128.23 2jtc n PRO 83 Ca 0.00 -1.62 -0.41 0.00 -0.04 0.00 0.00 63.50 61.43 2jtc n PRO 83 Cb 0.00 -2.46 -0.09 0.00 -0.04 0.00 0.00 33.50 30.91 2jtc n PRO 83 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2jtc s LYS 84 N 2.27 2.65 -0.16 0.54 2.47 -1.26 -4.96 119.74 121.28 2jtc s LYS 84 Ca 0.58 -1.47 -0.08 0.00 -1.56 0.00 0.00 55.97 53.43 2jtc s LYS 84 Cb 0.18 -3.85 -0.04 0.00 -1.46 0.00 0.00 37.83 32.66 2jtc s LYS 84 CO -0.04 -0.99 0.12 -0.80 0.16 0.00 0.00 175.35 173.81 2jtc s ASN 85 N 2.25 6.20 -0.11 1.43 0.01 -1.26 0.11 114.94 123.56 2jtc s ASN 85 Ca 0.03 0.31 -0.03 0.00 -0.71 0.00 0.00 52.86 52.46 2jtc s ASN 85 Cb -0.23 -2.05 -0.03 0.00 0.41 0.00 0.00 41.25 39.34 2jtc s ASN 85 CO 0.03 0.27 0.01 -0.76 -1.51 0.00 0.00 177.10 175.14 2jtc s LEU 86 N -0.21 3.62 -0.06 0.60 1.02 0.19 -4.92 118.68 118.93 2jtc s LEU 86 Ca 0.10 0.12 0.03 0.00 0.02 0.00 0.00 54.13 54.40 2jtc s LEU 86 Cb -0.11 -1.85 0.01 0.00 0.02 0.00 0.00 46.19 44.25 2jtc s LEU 86 CO 0.01 0.33 -0.13 0.12 0.02 0.00 0.00 176.35 176.69 2jtc s PHE 87 N -0.56 1.46 -0.30 0.29 5.36 -1.26 -1.53 117.98 121.44 2jtc s PHE 87 Ca 0.10 -0.50 -0.07 0.00 -0.96 0.00 0.00 56.93 55.50 2jtc s PHE 87 Cb -0.12 -1.05 0.01 0.00 -0.34 0.00 0.00 43.02 41.52 2jtc s PHE 87 CO 0.02 -0.24 0.09 0.00 -1.46 0.00 0.00 175.22 173.63 2jtc s ALA 88 N 0.50 3.08 -0.11 11.12 0.00 0.66 -4.96 121.76 132.05 2jtc s ALA 88 Ca -0.12 -1.46 -0.04 0.00 0.00 0.00 0.00 51.96 50.34 2jtc s ALA 88 Cb -0.14 -2.17 -0.17 0.00 0.00 0.00 0.00 23.12 20.63 2jtc s ALA 88 CO 0.03 -0.94 2.58 0.00 0.00 0.00 0.00 175.76 177.44 2jtc n ALA 89 N 4.88 4.71 0.02 0.00 0.00 -1.26 -1.80 120.51 127.05 2jtc n ALA 89 Ca -0.14 -1.35 -0.10 0.00 0.00 0.00 0.00 53.44 51.84 2jtc n ALA 89 Cb 0.48 -2.38 -0.04 0.00 0.00 0.00 0.00 19.45 17.51 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 2.43 0.36 -0.97 0.00 2.04 -1.89 0.47 117.51 119.95 2jtc h ILE 90 Ca 0.18 0.00 0.28 0.00 1.00 0.00 0.00 64.86 66.32 2jtc h ILE 90 Cb 0.94 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 2jtc h ILE 90 CO 0.44 0.00 0.94 0.77 0.00 0.00 0.00 178.15 180.31 2jtc h SER 91 N -0.37 0.00 -0.40 1.72 4.64 -1.73 2.52 113.55 119.92 2jtc h SER 91 Ca 0.09 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.22 2jtc h SER 91 Cb 0.50 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.48 2jtc h SER 91 CO -0.31 0.00 -0.00 0.35 -0.87 0.00 0.00 176.83 176.00 2jtc n THR 92 N -3.61 2.59 -2.96 2.95 -2.24 0.15 -4.51 114.28 106.65 2jtc n THR 92 Ca 0.21 -2.56 -0.32 0.00 -2.27 0.00 0.00 64.05 59.11 2jtc n THR 92 Cb 1.25 -0.33 -0.06 0.00 -2.10 0.00 0.00 70.33 69.10 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 -3.20 4.05 -0.62 -0.78 1.81 0.85 -4.90 118.95 116.15 2jtc s ARG 93 Ca 0.46 0.82 0.02 0.00 -1.72 0.00 0.00 55.73 55.31 2jtc s ARG 93 Cb 0.41 -2.32 0.16 0.00 -0.45 0.00 0.00 34.95 32.74 2jtc s ARG 93 CO 0.02 0.05 0.41 -1.14 -0.68 0.00 0.00 175.30 173.95 2jtc s GLN 94 N -3.20 2.36 -0.97 3.54 -0.44 -1.26 -2.48 119.66 117.20 2jtc s GLN 94 Ca 0.57 -2.84 -0.23 0.00 -2.50 0.00 0.00 55.36 50.36 2jtc s GLN 94 Cb -0.10 -3.50 0.05 0.00 -1.64 0.00 0.00 33.01 27.82 2jtc s GLN 94 CO 0.18 -1.18 1.40 0.71 0.50 0.00 0.00 175.29 176.90 2jtc s TYR 95 N -0.62 2.54 -1.00 1.67 2.02 -0.16 -4.92 117.35 116.88 2jtc s TYR 95 Ca 0.20 -0.78 -0.23 0.00 -0.37 0.00 0.00 57.07 55.89 2jtc s TYR 95 Cb -0.18 -4.66 0.04 0.00 -0.40 0.00 0.00 41.96 36.77 2jtc s TYR 95 CO -0.06 -1.92 1.46 1.21 -1.57 0.00 0.00 175.55 174.67 2jtc s ASN 96 N 4.71 6.43 0.00 2.29 3.84 -1.26 -4.53 114.94 126.41 2jtc s ASN 96 Ca 0.43 -1.36 0.02 0.00 0.21 0.00 0.00 52.86 52.16 2jtc s ASN 96 Cb -0.02 -2.57 0.07 0.00 -0.55 0.00 0.00 41.25 38.19 2jtc s ASN 96 CO -0.07 -1.58 1.01 0.79 -2.79 0.00 0.00 177.10 174.46 2jtc n TRP 97 N 9.12 0.00 0.58 0.43 5.03 -1.26 0.49 117.44 131.83 2jtc n TRP 97 Ca 0.32 0.00 0.12 0.00 3.03 0.00 0.00 57.50 60.96 2jtc n TRP 97 Cb 0.51 -0.45 0.12 0.00 -1.03 0.00 0.00 31.31 30.46 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 0.66 -0.11 -0.99 3.02 -1.26 -3.97 115.26 111.16 2jtc n ASN 98 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.43 2jtc n ASN 98 Cb 0.02 0.38 -0.15 0.00 -0.61 0.00 0.00 39.78 39.42 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 -2.05 0.61 -4.55 6.41 4.13 0.18 -4.79 115.26 115.20 2jtc n ASN 99 Ca 0.03 -0.04 -0.36 0.00 1.68 0.00 0.00 54.58 55.89 2jtc n ASN 99 Cb 0.44 0.59 -0.04 0.00 -1.54 0.00 0.00 39.78 39.23 2jtc n ASN 99 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2jtc s ILE 100 N -2.50 3.54 0.58 2.41 1.01 -0.34 -4.59 121.20 121.32 2jtc s ILE 100 Ca -0.17 -0.05 -0.17 0.00 0.00 0.00 0.00 60.65 60.26 2jtc s ILE 100 Cb 0.07 -4.32 -0.04 0.00 0.01 0.00 0.00 42.46 38.18 2jtc s ILE 100 CO 0.76 -1.26 1.08 -0.76 0.00 0.00 0.00 174.94 174.75 2jtc s LEU 101 N 8.07 3.58 0.12 2.97 1.43 -1.26 -4.92 118.68 128.66 2jtc s LEU 101 Ca 0.58 1.95 0.03 0.00 -1.03 0.00 0.00 54.13 55.66 2jtc s LEU 101 Cb -0.08 -4.55 -0.18 0.00 0.03 0.00 0.00 46.19 41.41 2jtc s LEU 101 CO 0.09 -1.22 1.27 1.55 0.23 0.00 0.00 176.35 178.27 2jtc h PRO 102 N 0.67 0.11 -4.04 1.29 0.13 -1.82 -3.45 132.00 124.88 2jtc h PRO 102 Ca -0.48 -0.17 -0.33 0.00 -0.87 0.00 0.00 66.00 64.16 2jtc h PRO 102 Cb 1.23 0.06 -0.31 0.00 0.13 0.00 0.00 31.00 32.12 2jtc h PRO 102 CO 0.57 1.04 -0.75 -0.08 -0.23 0.00 0.00 178.00 178.55 2jtc s THR 103 N -2.80 0.31 -0.01 1.56 -1.32 -1.03 0.26 115.64 112.61 2jtc s THR 103 Ca -0.01 -0.10 0.08 0.00 -1.21 0.00 0.00 61.69 60.45 2jtc s THR 103 Cb 0.09 -0.31 -0.02 0.00 -1.51 0.00 0.00 72.50 70.75 2jtc s THR 103 CO 0.84 0.12 -0.26 -0.31 -2.21 0.00 0.00 174.62 172.80 2jtc s TYR 104 N 0.32 2.31 -2.48 9.09 1.51 -1.20 -4.90 117.35 122.01 2jtc s TYR 104 Ca -0.03 -0.43 0.21 0.00 -1.01 0.00 0.00 57.07 55.80 2jtc s TYR 104 Cb -0.06 -1.48 0.13 0.00 -0.11 0.00 0.00 41.96 40.44 2jtc s TYR 104 CO -0.01 -0.02 1.14 -1.13 -1.11 0.00 0.00 175.55 174.43 2jtc n SER 105 N 2.35 2.58 0.00 2.29 3.41 -1.26 -4.92 113.62 118.07 2jtc n SER 105 Ca -0.16 -1.79 0.00 0.00 -0.26 0.00 0.00 58.87 56.66 2jtc n SER 105 Cb 0.51 0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 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 1.23 0.66 0.05 5.00 0.00 -1.26 -4.83 105.19 106.04 2jtc n GLY 106 Ca 0.12 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.66 1.01 -0.78 1.61 -4.01 -1.26 -4.98 116.66 105.59 2jtc n ARG 107 Ca 0.00 -0.45 -0.29 0.00 -1.04 0.00 0.00 57.85 56.08 2jtc n ARG 107 Cb 0.00 -0.91 0.21 0.00 -3.04 0.00 0.00 32.46 28.72 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 -0.37 -0.17 1.36 2.89 8.01 -1.26 -5.00 118.70 124.17 2jtc s GLU 108 Ca 0.01 0.84 -0.23 0.00 0.01 0.00 0.00 54.97 55.61 2jtc s GLU 108 Cb 0.01 -1.64 0.35 0.00 -4.31 0.00 0.00 34.13 28.54 2jtc s GLU 108 CO 0.03 -3.22 1.00 -1.54 0.01 0.00 0.00 175.26 171.54 2jtc s SER 109 N -2.85 -0.49 -0.02 -0.19 1.04 -1.26 -4.87 113.70 105.06 2jtc s SER 109 Ca 0.67 0.67 -0.14 0.00 0.48 0.00 0.00 55.95 57.63 2jtc s SER 109 Cb -0.22 -0.91 -0.33 0.00 0.10 0.00 0.00 66.02 64.66 2jtc s SER 109 CO 0.61 -4.99 0.81 0.78 0.98 0.00 0.00 173.24 171.43 2jtc h ASN 110 N -3.17 0.70 -0.25 7.02 2.35 -1.98 -3.02 115.58 117.22 2jtc h ASN 110 Ca -0.42 -0.93 0.06 0.00 -0.55 0.00 0.00 56.30 54.47 2jtc h ASN 110 Cb 1.32 -0.23 -0.07 0.00 0.05 0.00 0.00 38.32 39.39 2jtc h ASN 110 CO 0.27 1.73 -0.20 0.58 -1.65 0.00 0.00 177.43 178.16 2jtc h VAL 111 N 0.07 0.46 -0.62 2.81 2.07 -1.99 0.94 116.25 119.99 2jtc h VAL 111 Ca -0.30 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 2jtc h VAL 111 Cb 2.09 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 32.29 2jtc h VAL 111 CO 0.21 0.00 0.24 1.56 0.02 0.00 0.00 177.57 179.60 2jtc h GLN 112 N -0.19 0.94 -0.64 1.57 7.50 -1.81 -2.00 115.11 120.47 2jtc h GLN 112 Ca 0.14 -0.18 -0.01 0.00 0.50 0.00 0.00 58.65 59.10 2jtc h GLN 112 Cb 0.41 -0.15 -0.03 0.00 0.05 0.00 0.00 27.48 27.76 2jtc h GLN 112 CO -0.37 0.80 0.35 0.87 -1.50 0.00 0.00 178.83 178.98 2jtc h LYS 113 N 0.88 0.88 -0.42 1.46 1.57 -1.02 -2.20 116.57 117.71 2jtc h LYS 113 Ca 0.21 -0.09 0.01 0.00 -1.87 0.00 0.00 60.65 58.91 2jtc h LYS 113 Cb 0.22 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 2jtc h LYS 113 CO -0.01 0.64 0.26 1.98 -0.57 0.00 0.00 179.45 181.75 2jtc h MET 114 N 0.89 0.51 0.08 3.15 4.05 0.16 0.17 114.93 123.93 2jtc h MET 114 Ca 0.23 -0.03 0.01 0.00 -0.28 0.00 0.00 59.70 59.62 2jtc h MET 114 Cb 0.02 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 30.69 2jtc h MET 114 CO -0.04 0.34 -0.11 0.00 0.23 0.00 0.00 176.91 177.33 2jtc h ALA 115 N 1.18 -0.19 -0.26 0.39 0.00 -0.99 0.33 119.26 119.73 2jtc h ALA 115 Ca 0.16 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 2jtc h ALA 115 Cb -0.01 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2jtc h ALA 115 CO -0.07 -0.63 -0.17 0.97 0.00 0.00 0.00 179.25 179.36 2jtc h ILE 116 N -0.23 1.30 -0.91 0.00 6.09 -1.35 0.28 117.51 122.69 2jtc h ILE 116 Ca 0.02 -1.28 0.14 0.00 -1.37 0.00 0.00 64.86 62.37 2jtc h ILE 116 Cb 0.24 1.58 -0.09 0.00 0.47 0.00 0.00 36.82 39.02 2jtc h ILE 116 CO -0.06 0.40 0.52 0.77 -3.07 0.00 0.00 178.15 176.72 2jtc h SER 117 N 0.29 0.69 -0.16 2.19 4.64 -0.51 0.36 113.55 121.05 2jtc h SER 117 Ca 0.05 0.08 -0.07 0.00 -0.47 0.00 0.00 61.79 61.38 2jtc h SER 117 Cb 0.69 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.74 2jtc h SER 117 CO 0.05 0.31 -0.18 -0.08 -0.87 0.00 0.00 176.83 176.06 2jtc h GLU 118 N 0.76 0.41 -0.21 4.77 4.57 -0.71 0.93 114.58 125.10 2jtc h GLU 118 Ca 0.49 -0.22 0.06 0.00 -1.18 0.00 0.00 59.36 58.50 2jtc h GLU 118 Cb 0.63 0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 29.16 2jtc h GLU 118 CO -0.33 0.79 -0.30 1.25 -1.18 0.00 0.00 179.01 179.24 2jtc h LEU 119 N 0.05 -0.95 -0.62 1.64 5.85 0.11 2.18 115.31 123.58 2jtc h LEU 119 Ca 0.02 0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.91 2jtc h LEU 119 Cb 0.73 0.42 -0.03 0.00 0.37 0.00 0.00 40.66 42.15 2jtc h LEU 119 CO 0.04 -0.33 0.41 0.24 -0.34 0.00 0.00 178.44 178.46 2jtc h MET 120 N -0.33 0.80 -0.69 1.25 2.86 -0.33 1.64 114.93 120.13 2jtc h MET 120 Ca 0.12 -0.05 -0.07 0.00 -2.06 0.00 0.00 59.70 57.64 2jtc h MET 120 Cb 0.52 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.97 2jtc h MET 120 CO -0.40 0.53 0.14 0.00 1.06 0.00 0.00 176.91 178.24 2jtc h ALA 121 N 1.23 0.94 -0.30 6.32 0.00 0.96 2.34 119.26 130.75 2jtc h ALA 121 Ca 0.23 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 2jtc h ALA 121 Cb -0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 2jtc h ALA 121 CO -0.06 0.67 -0.18 -0.44 0.00 0.00 0.00 179.25 179.25 2jtc h ASP 122 N 1.06 0.68 0.37 0.00 3.32 0.43 -1.03 116.42 121.25 2jtc h ASP 122 Ca 0.21 -0.42 -0.02 0.00 0.02 0.00 0.00 57.03 56.82 2jtc h ASP 122 Cb 0.41 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.77 2jtc h ASP 122 CO 0.01 0.96 -0.18 0.58 -1.72 0.00 0.00 179.24 178.89 2jtc h VAL 123 N 0.41 0.00 -0.82 -1.35 2.07 0.29 0.25 116.25 117.10 2jtc h VAL 123 Ca 0.06 -0.42 0.20 0.00 0.82 0.00 0.00 66.70 67.37 2jtc h VAL 123 Cb 0.71 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.35 2jtc h VAL 123 CO 0.05 0.00 0.18 1.23 0.02 0.00 0.00 177.57 179.05 2jtc h GLY 124 N -0.92 1.19 0.77 2.17 0.00 0.39 0.20 103.07 106.87 2jtc h GLY 124 Ca -0.05 -0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.24 2jtc h GLY 124 CO 0.08 -0.31 -0.28 -2.22 0.00 0.00 0.00 176.54 173.82 2jtc h ILE 125 N 0.21 0.30 -1.34 2.60 2.04 -1.21 0.91 117.51 121.02 2jtc h ILE 125 Ca 0.49 -0.32 0.39 0.00 1.00 0.00 0.00 64.86 66.42 2jtc h ILE 125 Cb 0.94 0.40 -0.05 0.00 -0.74 0.00 0.00 36.82 37.36 2jtc h ILE 125 CO -0.62 0.04 0.99 0.77 0.00 0.00 0.00 178.15 179.33 2jtc h SER 126 N -1.02 0.00 -0.94 1.72 4.64 0.17 0.84 113.55 118.97 2jtc h SER 126 Ca -0.08 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.63 2jtc h SER 126 Cb 0.66 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 62.45 2jtc h SER 126 CO 0.13 0.00 0.59 1.33 -0.87 0.00 0.00 176.83 178.01 2jtc n VAL 127 N -4.06 3.38 -4.23 0.95 0.24 0.49 -4.60 118.33 110.50 2jtc n VAL 127 Ca 0.29 -2.90 -0.36 0.00 -2.04 0.00 0.00 64.34 59.33 2jtc n VAL 127 Cb 1.42 -1.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.73 2jtc n VAL 127 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2jtc n ASP 128 N -0.95 -1.78 -4.65 -1.34 9.92 0.29 -4.20 116.55 113.86 2jtc n ASP 128 Ca 0.59 -0.98 -0.48 0.00 -0.53 0.00 0.00 54.79 53.39 2jtc n ASP 128 Cb 0.89 -1.57 -0.05 0.00 -0.64 0.00 0.00 41.12 39.76 2jtc n ASP 128 CO 0.00 0.00 0.00 0.80 0.13 0.00 0.00 177.20 178.13 2jtc n MET 129 N -3.84 1.82 -2.61 -1.24 1.56 0.31 -4.67 117.12 108.45 2jtc n MET 129 Ca 0.10 0.66 -0.43 0.00 -0.27 0.00 0.00 57.70 57.76 2jtc n MET 129 Cb 0.46 -2.39 -0.02 0.00 2.15 0.00 0.00 33.22 33.41 2jtc n MET 129 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 2jtc s ASP 130 N 1.05 7.13 -0.26 6.12 2.15 0.23 -4.84 116.67 128.24 2jtc s ASP 130 Ca 0.82 1.54 -0.08 0.00 0.43 0.00 0.00 52.55 55.26 2jtc s ASP 130 Cb -0.77 -2.55 -0.03 0.00 -0.30 0.00 0.00 42.92 39.27 2jtc s ASP 130 CO 0.42 -0.59 0.10 -0.31 -0.17 0.00 0.00 175.17 174.62 2jtc s TYR 131 N 2.65 3.11 0.00 -5.34 2.02 -1.26 -1.77 117.35 116.77 2jtc s TYR 131 Ca 0.49 -0.38 0.00 0.00 -0.37 0.00 0.00 57.07 56.80 2jtc s TYR 131 Cb -0.18 -2.27 0.00 0.00 -0.40 0.00 0.00 41.96 39.11 2jtc s TYR 131 CO 0.14 -0.35 0.00 0.41 -1.57 0.00 0.00 175.55 174.18 2jtc n GLY 132 N 4.95 3.74 0.26 0.71 0.00 -1.26 -4.88 105.19 108.70 2jtc n GLY 132 Ca -0.16 -1.17 0.06 0.00 0.00 0.00 0.00 46.02 44.75 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 0.13 -6.01 1.61 0.13 -1.90 -2.35 132.00 123.61 2jtc h PRO 133 Ca 0.00 -0.01 -0.68 0.00 -0.87 0.00 0.00 66.00 64.44 2jtc h PRO 133 Cb 0.00 -0.02 -0.20 0.00 0.13 0.00 0.00 31.00 30.90 2jtc h PRO 133 CO 0.00 0.16 -0.70 -1.54 -0.23 0.00 0.00 178.00 175.69 2jtc s SER 134 N -6.96 4.58 -0.30 1.44 1.04 -1.26 -3.73 113.70 108.52 2jtc s SER 134 Ca -0.05 -0.06 -0.02 0.00 0.48 0.00 0.00 55.95 56.29 2jtc s SER 134 Cb 0.16 -1.24 0.05 0.00 0.10 0.00 0.00 66.02 65.09 2jtc s SER 134 CO 0.70 0.33 -0.00 -0.44 0.98 0.00 0.00 173.24 174.80 2jtc s SER 135 N -0.60 4.86 -0.12 7.02 0.01 -1.26 -4.66 113.70 118.95 2jtc s SER 135 Ca 0.09 -1.22 -0.03 0.00 1.31 0.00 0.00 55.95 56.09 2jtc s SER 135 Cb -0.12 -1.72 -0.03 0.00 0.21 0.00 0.00 66.02 64.36 2jtc s SER 135 CO 0.02 -0.25 0.00 -0.83 0.41 0.00 0.00 173.24 172.59 2jtc s GLY 136 N 1.27 1.83 0.00 3.44 0.00 -0.73 -3.67 107.32 109.46 2jtc s GLY 136 Ca -0.05 -0.80 0.00 0.00 0.00 0.00 0.00 44.72 43.88 2jtc s GLY 136 CO -0.01 -0.32 0.00 -1.26 0.00 0.00 0.00 173.10 171.51 2jtc n SER 137 N 2.77 1.82 -0.09 1.64 2.88 -1.26 0.74 113.62 122.12 2jtc n SER 137 Ca -0.18 -0.38 -0.13 0.00 -1.33 0.00 0.00 58.87 56.86 2jtc n SER 137 Cb 0.53 0.00 -0.06 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 0.67 0.00 -1.46 0.00 -1.26 -2.94 120.51 112.52 2jtc n ALA 138 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.89 2jtc n ALA 138 Cb 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.30 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 1.51 0.39 0.17 0.00 0.00 -1.26 -2.18 105.19 103.81 2jtc n GLY 139 Ca -0.20 -1.01 -0.06 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.54 -1.15 1.61 0.02 -1.93 1.23 113.55 112.78 2jtc h SER 140 Ca 0.00 0.06 0.33 0.00 -0.84 0.00 0.00 61.79 61.33 2jtc h SER 140 Cb 0.00 0.20 -0.09 0.00 0.14 0.00 0.00 62.40 62.64 2jtc h SER 140 CO 0.00 -0.19 0.76 0.77 -1.14 0.00 0.00 176.83 177.03 2jtc h SER 141 N -0.26 0.31 0.05 3.07 4.64 -1.97 0.84 113.55 120.22 2jtc h SER 141 Ca -0.00 0.08 -0.07 0.00 -0.47 0.00 0.00 61.79 61.33 2jtc h SER 141 Cb 0.26 0.04 0.01 0.00 -0.31 0.00 0.00 62.40 62.40 2jtc h SER 141 CO -0.09 0.00 -0.31 0.03 -0.87 0.00 0.00 176.83 175.59 2jtc h ARG 142 N 0.24 0.12 0.59 4.77 2.47 -1.72 -2.89 114.38 117.97 2jtc h ARG 142 Ca 0.65 -0.20 -0.03 0.00 -1.26 0.00 0.00 59.98 59.15 2jtc h ARG 142 Cb 1.95 0.07 0.01 0.00 -1.65 0.00 0.00 29.97 30.35 2jtc h ARG 142 CO -0.27 1.08 -0.28 0.28 0.56 0.00 0.00 179.97 181.33 2jtc h VAL 143 N -0.73 0.00 -0.42 2.04 2.07 0.40 0.87 116.25 120.48 2jtc h VAL 143 Ca -0.05 -0.33 0.12 0.00 0.82 0.00 0.00 66.70 67.25 2jtc h VAL 143 Cb 1.22 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 2jtc h VAL 143 CO 0.06 0.00 0.30 0.06 0.02 0.00 0.00 177.57 178.01 2jtc h GLN 144 N -1.13 0.02 0.08 1.57 -0.00 0.37 0.56 115.11 116.58 2jtc h GLN 144 Ca -0.08 -0.00 -0.25 0.00 -0.00 0.00 0.00 58.65 58.32 2jtc h GLN 144 Cb 0.61 -0.00 0.02 0.00 -0.00 0.00 0.00 27.48 28.11 2jtc h GLN 144 CO 0.13 0.01 -1.02 -0.09 -0.00 0.00 0.00 178.83 177.87 2jtc h ARG 145 N 0.02 0.55 -0.27 0.06 2.43 -1.36 -3.15 114.38 112.67 2jtc h ARG 145 Ca 0.20 -0.70 -0.15 0.00 -0.81 0.00 0.00 59.98 58.52 2jtc h ARG 145 Cb 0.78 0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 30.54 2jtc h ARG 145 CO -0.01 1.30 -0.45 0.00 -1.51 0.00 0.00 179.97 179.30 2jtc h ALA 146 N 0.28 0.70 0.23 2.80 0.00 0.28 0.44 119.26 123.99 2jtc h ALA 146 Ca -0.15 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.29 2jtc h ALA 146 Cb 1.72 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 2jtc h ALA 146 CO 0.20 0.67 -0.19 -0.07 0.00 0.00 0.00 179.25 179.86 2jtc h LEU 147 N 0.56 -0.50 0.03 0.00 3.38 -0.05 0.12 115.31 118.85 2jtc h LEU 147 Ca 0.03 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2jtc h LEU 147 Cb 1.00 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2jtc h LEU 147 CO 0.09 -0.29 -0.02 0.11 0.09 0.00 0.00 178.44 178.43 2jtc h LYS 148 N -0.43 -0.04 -0.27 1.13 1.57 -1.56 0.22 116.57 117.18 2jtc h LYS 148 Ca -0.01 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 2jtc h LYS 148 Cb 0.39 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 2jtc h LYS 148 CO -0.02 0.62 -0.00 0.93 -0.57 0.00 0.00 179.45 180.41 2jtc h GLU 149 N -0.92 0.48 0.04 3.15 5.08 -0.98 -1.13 114.58 120.30 2jtc h GLU 149 Ca -0.00 -0.15 -0.35 0.00 -1.00 0.00 0.00 59.36 57.85 2jtc h GLU 149 Cb 0.68 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.85 2jtc h GLU 149 CO 0.01 0.64 -1.98 0.09 -1.00 0.00 0.00 179.01 176.77 2jtc n ASN 150 N -4.60 1.98 -1.91 1.42 5.03 -0.22 -4.21 115.26 112.76 2jtc n ASN 150 Ca -0.03 0.24 0.07 0.00 0.87 0.00 0.00 54.58 55.73 2jtc n ASN 150 Cb 0.25 -0.80 0.41 0.00 -1.02 0.00 0.00 39.78 38.62 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 -3.90 2.11 -3.06 3.10 3.72 -0.14 -2.28 117.46 117.00 2jtc n PHE 151 Ca -0.40 -0.73 -0.22 0.00 -0.05 0.00 0.00 57.45 56.05 2jtc n PHE 151 Cb 0.89 -0.52 -0.04 0.00 -0.94 0.00 0.00 39.48 38.87 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 0.63 -0.22 3.68 1.37 0.00 0.10 -4.65 105.19 106.11 2jtc n GLY 152 Ca 0.28 0.04 -0.31 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 -2.15 1.87 0.47 1.61 1.51 0.56 -4.85 117.35 116.37 2jtc s TYR 153 Ca 0.43 1.65 -0.21 0.00 -1.01 0.00 0.00 57.07 57.93 2jtc s TYR 153 Cb -0.25 -3.24 -0.11 0.00 -0.11 0.00 0.00 41.96 38.25 2jtc s TYR 153 CO 0.53 -2.63 0.55 -1.71 -1.11 0.00 0.00 175.55 171.18 2jtc n ASN 154 N -4.10 -0.88 0.24 2.29 2.85 0.25 -4.58 115.26 111.33 2jtc n ASN 154 Ca 0.10 0.85 0.12 0.00 -0.11 0.00 0.00 54.58 55.55 2jtc n ASN 154 Cb 0.53 -1.14 0.65 0.00 1.24 0.00 0.00 39.78 41.05 2jtc n ASN 154 CO 0.00 0.00 0.00 1.56 -2.11 0.00 0.00 177.26 176.71 2jtc h GLN 155 N 0.65 0.00 0.00 1.20 1.08 -1.88 -1.23 115.11 114.92 2jtc h GLN 155 Ca -0.42 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.78 2jtc h GLN 155 Cb 1.40 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.83 2jtc h GLN 155 CO 0.50 0.00 0.26 0.66 -0.95 0.00 0.00 178.83 179.30 2jtc h SER 156 N 0.00 0.00 -2.96 1.46 4.64 -1.84 -3.40 113.55 111.44 2jtc h SER 156 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 2jtc h SER 156 Cb 0.44 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.55 2jtc h SER 156 CO 0.00 0.00 0.76 -0.69 -0.87 0.00 0.00 176.83 176.03 2jtc s VAL 157 N -3.51 3.31 0.27 0.95 1.01 -0.47 -4.39 120.40 117.57 2jtc s VAL 157 Ca -0.02 0.91 -0.08 0.00 0.00 0.00 0.00 61.98 62.78 2jtc s VAL 157 Cb 0.05 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.85 2jtc s VAL 157 CO 0.16 0.06 0.44 -1.38 0.00 0.00 0.00 175.10 174.38 2jtc s HIS 158 N 1.38 0.66 -0.06 5.22 -3.43 -1.13 -4.98 115.29 112.94 2jtc s HIS 158 Ca 0.65 -0.97 0.05 0.00 -0.80 0.00 0.00 55.06 53.99 2jtc s HIS 158 Cb -0.37 0.04 -0.02 0.00 -1.43 0.00 0.00 32.58 30.80 2jtc s HIS 158 CO 0.30 -1.01 -0.20 -1.14 -2.00 0.00 0.00 174.74 170.69 2jtc s GLN 159 N -3.71 2.61 0.38 -0.38 0.74 -1.26 -2.54 119.66 115.50 2jtc s GLN 159 Ca 0.27 -0.82 0.06 0.00 0.05 0.00 0.00 55.36 54.91 2jtc s GLN 159 Cb 0.00 -2.28 -0.07 0.00 1.10 0.00 0.00 33.01 31.76 2jtc s GLN 159 CO 0.13 0.44 0.03 0.96 -0.55 0.00 0.00 175.29 176.30 2jtc s ILE 160 N -0.30 1.65 -0.31 -2.34 -4.36 0.12 -4.90 121.20 110.78 2jtc s ILE 160 Ca 0.01 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.42 2jtc s ILE 160 Cb -0.13 -2.89 0.09 0.00 1.25 0.00 0.00 42.46 40.78 2jtc s ILE 160 CO 0.03 0.00 0.03 0.20 0.24 0.00 0.00 174.94 175.43 2jtc s ASN 161 N -3.63 4.40 0.34 4.36 0.01 -1.26 -0.77 114.94 118.39 2jtc s ASN 161 Ca 0.35 -1.79 0.13 0.00 -0.71 0.00 0.00 52.86 50.84 2jtc s ASN 161 Cb 0.09 -1.36 1.01 0.00 0.41 0.00 0.00 41.25 41.40 2jtc s ASN 161 CO 0.17 -0.35 1.71 -0.09 -1.51 0.00 0.00 177.10 177.03 2jtc h ARG 162 N 7.80 0.44 0.00 -0.60 9.65 -1.51 0.91 114.38 131.07 2jtc h ARG 162 Ca -0.10 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.75 2jtc h ARG 162 Cb 1.03 -0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 29.51 2jtc h ARG 162 CO 0.48 0.29 -0.03 0.78 2.80 0.00 0.00 179.97 184.30 2jtc h GLY 163 N 0.45 0.00 -3.56 2.80 0.00 -1.94 -2.68 103.07 98.15 2jtc h GLY 163 Ca 0.67 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 47.50 2jtc h GLY 163 CO -0.48 0.00 0.41 1.22 0.00 0.00 0.00 176.54 177.69 2jtc n ASP 164 N -4.44 4.89 -4.09 0.19 8.00 0.31 -4.99 116.55 116.44 2jtc n ASP 164 Ca -0.03 -3.73 -0.12 0.00 0.71 0.00 0.00 54.79 51.62 2jtc n ASP 164 Cb 0.11 -0.79 -0.09 0.00 -0.02 0.00 0.00 41.12 40.33 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 -3.50 1.11 -0.10 1.24 0.40 -1.01 -4.90 117.98 111.22 2jtc s PHE 165 Ca 0.56 -1.32 -0.12 0.00 -0.60 0.00 0.00 56.93 55.45 2jtc s PHE 165 Cb 0.47 -0.47 -0.05 0.00 0.51 0.00 0.00 43.02 43.48 2jtc s PHE 165 CO 0.04 -0.71 0.28 -1.54 0.70 0.00 0.00 175.22 173.99 2jtc s SER 166 N -3.16 6.53 0.19 1.36 1.04 -1.26 -4.87 113.70 113.53 2jtc s SER 166 Ca 0.37 0.63 -0.08 0.00 0.48 0.00 0.00 55.95 57.35 2jtc s SER 166 Cb 0.06 -2.17 0.28 0.00 0.10 0.00 0.00 66.02 64.29 2jtc s SER 166 CO 0.13 0.25 1.15 1.17 0.98 0.00 0.00 173.24 176.93 2jtc n LYS 167 N 2.60 -0.11 0.26 4.02 4.81 -1.26 0.14 118.16 128.63 2jtc n LYS 167 Ca -0.15 1.15 -0.15 0.00 -0.87 0.00 0.00 58.31 58.29 2jtc n LYS 167 Cb 0.53 -1.71 -0.08 0.00 0.02 0.00 0.00 35.03 33.79 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 -0.63 0.00 1.64 7.50 -2.00 -1.71 115.11 119.91 2jtc h GLN 168 Ca 0.32 0.04 -0.01 0.00 0.50 0.00 0.00 58.65 59.51 2jtc h GLN 168 Cb 0.50 0.14 -0.00 0.00 0.05 0.00 0.00 27.48 28.18 2jtc h GLN 168 CO -0.75 -0.34 -0.04 -0.44 -1.50 0.00 0.00 178.83 175.76 2jtc h ASP 169 N -0.87 0.00 -0.11 1.46 5.19 -1.15 -0.99 116.42 119.96 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 0.59 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.10 2jtc h ASP 169 CO 0.11 0.04 -0.26 -0.25 -3.12 0.00 0.00 179.24 175.75 2jtc h TRP 170 N 0.00 0.47 0.00 4.55 2.91 0.16 -2.98 115.95 121.06 2jtc h TRP 170 Ca -0.00 -0.18 -0.07 0.00 1.13 0.00 0.00 58.89 59.77 2jtc h TRP 170 Cb 0.18 -0.08 -0.01 0.00 -0.51 0.00 0.00 29.16 28.74 2jtc h TRP 170 CO 0.00 0.88 -0.35 0.93 -1.03 0.00 0.00 178.44 178.87 2jtc h GLU 171 N -0.06 0.00 -0.58 2.65 5.08 -0.71 -2.87 114.58 118.09 2jtc h GLU 171 Ca -0.00 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 2jtc h GLU 171 Cb 0.87 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.07 2jtc h GLU 171 CO 0.06 0.35 0.30 0.00 -1.00 0.00 0.00 179.01 178.72 2jtc h ALA 172 N 1.65 0.75 -0.90 3.43 0.00 -1.06 1.66 119.26 124.80 2jtc h ALA 172 Ca -0.00 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2jtc h ALA 172 Cb 0.81 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 2jtc h ALA 172 CO 0.04 -0.03 0.52 1.96 0.00 0.00 0.00 179.25 181.74 2jtc h GLN 173 N 0.58 1.23 0.14 0.00 1.08 -1.39 -0.08 115.11 116.65 2jtc h GLN 173 Ca 0.26 -0.12 -0.01 0.00 -1.45 0.00 0.00 58.65 57.33 2jtc h GLN 173 Cb 0.16 -0.25 0.00 0.00 -0.05 0.00 0.00 27.48 27.34 2jtc h GLN 173 CO -0.17 0.87 -0.07 0.82 -0.95 0.00 0.00 178.83 179.34 2jtc h ILE 174 N 1.24 0.60 -0.70 2.54 2.04 -1.06 -3.00 117.51 119.16 2jtc h ILE 174 Ca 0.32 -1.18 0.15 0.00 1.00 0.00 0.00 64.86 65.15 2jtc h ILE 174 Cb -0.02 1.06 -0.10 0.00 -0.74 0.00 0.00 36.82 37.01 2jtc h ILE 174 CO -0.06 0.18 0.16 -0.78 0.00 0.00 0.00 178.15 177.65 2jtc h ASP 175 N -0.97 0.00 -0.68 1.72 3.58 0.24 0.41 116.42 120.71 2jtc h ASP 175 Ca -0.02 0.14 0.12 0.00 0.42 0.00 0.00 57.03 57.69 2jtc h ASP 175 Cb 0.43 0.19 -0.09 0.00 1.72 0.00 0.00 39.33 41.58 2jtc h ASP 175 CO 0.03 -0.03 0.24 0.50 -2.88 0.00 0.00 179.24 177.11 2jtc h LYS 176 N 0.26 0.38 -0.18 0.28 3.64 -1.09 1.56 116.57 121.43 2jtc h LYS 176 Ca 0.39 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.75 2jtc h LYS 176 Cb 0.64 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 2jtc h LYS 176 CO -0.49 0.25 0.11 0.93 -2.27 0.00 0.00 179.45 177.98 2jtc h GLU 177 N 0.39 0.21 0.00 1.90 4.39 -0.13 -1.39 114.58 119.96 2jtc h GLU 177 Ca 0.36 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.99 2jtc h GLU 177 Cb 0.52 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 2jtc h GLU 177 CO -0.38 0.14 -0.29 -0.07 -1.16 0.00 0.00 179.01 177.25 2jtc h LEU 178 N 0.22 0.00 -0.85 1.33 3.38 0.92 0.65 115.31 120.97 2jtc h LEU 178 Ca 0.07 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.20 2jtc h LEU 178 Cb -0.01 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.64 2jtc h LEU 178 CO -0.03 0.29 0.41 0.77 0.09 0.00 0.00 178.44 179.98 2jtc h SER 179 N 0.00 0.46 -0.93 -0.43 4.64 0.33 0.64 113.55 118.26 2jtc h SER 179 Ca -0.00 0.10 -0.61 0.00 -0.47 0.00 0.00 61.79 60.81 2jtc h SER 179 Cb 0.61 0.04 -0.27 0.00 -0.31 0.00 0.00 62.40 62.46 2jtc h SER 179 CO 0.04 0.17 0.79 0.00 -0.87 0.00 0.00 176.83 176.96 2jtc n GLN 180 N -4.92 2.52 -4.17 4.77 6.02 -1.05 -4.84 117.38 115.71 2jtc n GLN 180 Ca 0.18 -3.03 -0.29 0.00 -0.01 0.00 0.00 57.00 53.84 2jtc n GLN 180 Cb 0.47 -2.19 -0.07 0.00 1.02 0.00 0.00 30.24 29.47 2jtc n GLN 180 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2jtc n ASN 181 N -0.80 0.46 -4.01 1.08 3.02 0.22 -4.90 115.26 110.33 2jtc n ASN 181 Ca 0.58 -1.17 -0.31 0.00 -0.03 0.00 0.00 54.58 53.66 2jtc n ASN 181 Cb 0.78 -2.17 -0.16 0.00 -0.61 0.00 0.00 39.78 37.62 2jtc n ASN 181 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2jtc s GLN 182 N -7.06 2.11 1.09 3.52 -0.21 0.23 -4.94 119.66 114.39 2jtc s GLN 182 Ca 0.00 -0.89 -0.13 0.00 0.02 0.00 0.00 55.36 54.37 2jtc s GLN 182 Cb -0.00 -2.47 0.24 0.00 1.00 0.00 0.00 33.01 31.78 2jtc s GLN 182 CO 0.96 -0.43 1.06 -1.25 -2.12 0.00 0.00 175.29 173.51 2jtc s PRO 183 N 1.36 -0.28 -0.07 2.91 0.04 -1.26 -1.66 135.00 136.05 2jtc s PRO 183 Ca -0.02 0.65 0.03 0.00 0.04 0.00 0.00 61.00 61.71 2jtc s PRO 183 Cb -0.16 -1.64 0.00 0.00 0.04 0.00 0.00 34.50 32.74 2jtc s PRO 183 CO -0.08 -3.24 -0.17 0.08 0.04 0.00 0.00 177.00 173.63 2jtc s VAL 184 N -2.73 1.47 -0.23 -0.36 1.01 0.20 -4.51 120.40 115.25 2jtc s VAL 184 Ca 0.67 -0.69 -0.26 0.00 0.00 0.00 0.00 61.98 61.69 2jtc s VAL 184 Cb -0.22 -1.29 0.00 0.00 0.00 0.00 0.00 36.38 34.87 2jtc s VAL 184 CO 0.61 0.43 0.91 -0.47 0.00 0.00 0.00 175.10 176.58 2jtc s TYR 185 N 0.40 3.33 0.27 5.22 6.14 -0.28 -0.19 117.35 132.24 2jtc s TYR 185 Ca -0.13 1.28 0.09 0.00 0.64 0.00 0.00 57.07 58.95 2jtc s TYR 185 Cb -0.15 -3.14 -0.05 0.00 0.42 0.00 0.00 41.96 39.04 2jtc s TYR 185 CO 0.05 -0.43 -0.14 -0.47 0.64 0.00 0.00 175.55 175.20 2jtc s TYR 186 N 2.96 2.08 -0.29 4.97 6.14 0.10 0.33 117.35 133.65 2jtc s TYR 186 Ca 0.39 -0.50 -0.16 0.00 0.64 0.00 0.00 57.07 57.43 2jtc s TYR 186 Cb -0.15 -1.03 0.13 0.00 0.42 0.00 0.00 41.96 41.32 2jtc s TYR 186 CO 0.07 0.50 0.89 1.14 0.64 0.00 0.00 175.55 178.80 2jtc s GLN 187 N -3.61 0.46 -0.20 4.97 -2.07 -1.07 0.46 119.66 118.60 2jtc s GLN 187 Ca 0.28 0.83 -0.17 0.00 -1.82 0.00 0.00 55.36 54.48 2jtc s GLN 187 Cb -0.01 0.14 -0.04 0.00 -1.09 0.00 0.00 33.01 32.02 2jtc s GLN 187 CO 0.12 -0.10 0.45 0.20 -1.32 0.00 0.00 175.29 174.64 2jtc s GLY 188 N 1.54 2.08 0.75 2.60 0.00 0.26 -2.87 107.32 111.69 2jtc s GLY 188 Ca -0.09 -0.47 -0.09 0.00 0.00 0.00 0.00 44.72 44.07 2jtc s GLY 188 CO -0.16 0.93 1.09 0.14 0.00 0.00 0.00 173.10 175.10 2jtc s VAL 189 N 1.45 2.15 0.00 1.40 1.01 0.31 0.08 120.40 126.81 2jtc s VAL 189 Ca 0.21 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.03 2jtc s VAL 189 Cb -0.15 -2.99 0.00 0.00 0.00 0.00 0.00 36.38 33.24 2jtc s VAL 189 CO 0.09 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.80 2jtc n GLY 190 N -3.11 1.54 0.08 4.51 0.00 -0.94 -3.53 105.19 103.74 2jtc n GLY 190 Ca 0.08 -0.14 -0.07 0.00 0.00 0.00 0.00 46.02 45.89 2jtc n GLY 190 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jtc h LYS 191 N 0.00 0.00 0.00 1.61 1.57 -1.95 -3.33 116.57 114.47 2jtc h LYS 191 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2jtc h LYS 191 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2jtc h LYS 191 CO 0.00 0.58 -0.14 1.33 -0.57 0.00 0.00 179.45 180.66 2jtc n VAL 192 N -3.10 0.55 0.00 0.50 0.24 -1.26 -5.04 118.33 110.22 2jtc n VAL 192 Ca -0.12 -0.28 0.00 0.00 -2.04 0.00 0.00 64.34 61.90 2jtc n VAL 192 Cb 1.00 -0.49 0.00 0.00 -1.47 0.00 0.00 33.84 32.88 2jtc n VAL 192 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jtc n GLY 193 N 1.31 0.77 3.51 7.63 0.00 -1.25 -4.67 105.19 112.49 2jtc n GLY 193 Ca 0.05 -2.04 -0.43 0.00 0.00 0.00 0.00 46.02 43.60 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 1.50 0.15 -0.02 0.00 -0.92 -2.21 107.32 105.81 2jtc s GLY 194 Ca 0.00 -1.28 -0.30 0.00 0.00 0.00 0.00 44.72 43.14 2jtc s GLY 194 CO 0.00 1.91 1.27 -1.58 0.00 0.00 0.00 173.10 174.70 2jtc s HIS 195 N 3.62 3.34 0.34 1.90 2.46 0.11 -4.42 115.29 122.65 2jtc s HIS 195 Ca 0.28 1.24 0.09 0.00 0.47 0.00 0.00 55.06 57.14 2jtc s HIS 195 Cb -0.14 -3.53 -0.06 0.00 -0.13 0.00 0.00 32.58 28.72 2jtc s HIS 195 CO 0.19 -1.65 -0.09 0.00 -2.47 0.00 0.00 174.74 170.72 2jtc s ALA 196 N 0.47 2.89 0.22 1.58 0.00 -1.26 0.92 121.76 126.57 2jtc s ALA 196 Ca 0.58 -2.07 -0.23 0.00 0.00 0.00 0.00 51.96 50.23 2jtc s ALA 196 Cb -0.34 -0.01 0.04 0.00 0.00 0.00 0.00 23.12 22.81 2jtc s ALA 196 CO 0.34 0.06 0.80 -0.59 0.00 0.00 0.00 175.76 176.37 2jtc s PHE 197 N -2.66 -0.20 -0.07 0.00 -0.12 0.17 -3.91 117.98 111.19 2jtc s PHE 197 Ca 0.32 -0.18 0.02 0.00 -0.05 0.00 0.00 56.93 57.05 2jtc s PHE 197 Cb 0.03 0.67 -0.02 0.00 -0.63 0.00 0.00 43.02 43.06 2jtc s PHE 197 CO 0.16 -1.04 -0.14 0.08 -0.05 0.00 0.00 175.22 174.23 2jtc s VAL 198 N -3.65 3.04 -0.23 -2.49 1.01 -1.16 0.01 120.40 116.93 2jtc s VAL 198 Ca 0.11 -0.71 -0.09 0.00 0.00 0.00 0.00 61.98 61.28 2jtc s VAL 198 Cb -0.04 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 2jtc s VAL 198 CO 0.03 0.57 0.12 -0.63 0.00 0.00 0.00 175.10 175.20 2jtc s ILE 199 N -0.38 5.08 -0.06 2.22 1.01 0.74 0.41 121.20 130.22 2jtc s ILE 199 Ca 0.04 0.08 0.22 0.00 0.00 0.00 0.00 60.65 60.99 2jtc s ILE 199 Cb -0.12 -3.35 0.43 0.00 0.01 0.00 0.00 42.46 39.42 2jtc s ILE 199 CO 0.02 0.37 1.18 -0.90 0.00 0.00 0.00 174.94 175.62 2jtc n ASP 200 N 4.18 1.21 0.00 3.58 5.68 -1.00 0.60 116.55 130.80 2jtc n ASP 200 Ca -0.16 -2.49 0.00 0.00 -0.50 0.00 0.00 54.79 51.64 2jtc n ASP 200 Cb 0.52 -0.36 0.00 0.00 -1.14 0.00 0.00 41.12 40.14 2jtc n ASP 200 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jtc n GLY 201 N 0.07 0.80 3.14 6.12 0.00 -1.21 0.25 105.19 114.35 2jtc n GLY 201 Ca 0.10 -0.74 -0.09 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.00 -0.04 0.00 4.61 0.00 0.73 0.32 121.76 125.38 2jtc s ALA 202 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.31 2jtc s ALA 202 Cb 0.00 0.32 0.00 0.00 0.00 0.00 0.00 23.12 23.44 2jtc s ALA 202 CO 0.00 -0.38 0.45 -0.40 0.00 0.00 0.00 175.76 175.43 2jtc n ASP 203 N 0.43 0.91 0.00 0.00 5.75 0.88 -0.95 116.55 123.58 2jtc n ASP 203 Ca -0.17 -0.97 0.00 0.00 -0.01 0.00 0.00 54.79 53.64 2jtc n ASP 203 Cb 0.60 0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.74 2jtc n ASP 203 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jtc n GLY 204 N 0.05 2.89 1.57 6.12 0.00 -1.17 -4.82 105.19 109.83 2jtc n GLY 204 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 2jtc n GLY 204 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jtc n ARG 205 N -0.47 1.58 -1.30 1.61 1.74 -1.26 -4.67 116.66 113.88 2jtc n ARG 205 Ca 0.00 -1.39 -0.09 0.00 -0.77 0.00 0.00 57.85 55.60 2jtc n ARG 205 Cb 0.00 -1.54 -0.04 0.00 -1.02 0.00 0.00 32.46 29.86 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 -0.26 -4.03 -4.35 0.55 2.85 -1.26 -5.00 115.26 103.75 2jtc n ASN 206 Ca 0.28 0.21 -0.32 0.00 -0.11 0.00 0.00 54.58 54.64 2jtc n ASN 206 Cb 1.04 -2.37 -0.15 0.00 1.24 0.00 0.00 39.78 39.54 2jtc n ASN 206 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2jtc s PHE 207 N -2.34 2.62 0.38 1.20 0.08 -1.26 -4.80 117.98 113.86 2jtc s PHE 207 Ca 0.00 -0.55 0.07 0.00 0.12 0.00 0.00 56.93 56.58 2jtc s PHE 207 Cb 0.00 -1.68 -0.07 0.00 -0.57 0.00 0.00 43.02 40.70 2jtc s PHE 207 CO 0.00 -0.10 -0.02 0.71 -0.10 0.00 0.00 175.22 175.71 2jtc s TYR 208 N -0.18 2.40 0.16 0.36 1.51 -1.26 -0.08 117.35 120.27 2jtc s TYR 208 Ca -0.02 -0.66 -0.11 0.00 -1.01 0.00 0.00 57.07 55.28 2jtc s TYR 208 Cb -0.14 -1.59 -0.07 0.00 -0.11 0.00 0.00 41.96 40.06 2jtc s TYR 208 CO 0.03 0.43 0.51 -1.58 -1.11 0.00 0.00 175.55 173.84 2jtc s HIS 209 N -2.76 3.53 -0.01 2.71 5.65 0.15 -1.99 115.29 122.57 2jtc s HIS 209 Ca 0.34 0.91 0.00 0.00 0.25 0.00 0.00 55.06 56.57 2jtc s HIS 209 Cb 0.08 -2.27 0.01 0.00 -1.18 0.00 0.00 32.58 29.21 2jtc s HIS 209 CO 0.17 0.39 -0.01 0.08 -0.65 0.00 0.00 174.74 174.72 2jtc s VAL 210 N -1.59 0.11 -0.99 0.89 1.01 0.64 -2.38 120.40 118.09 2jtc s VAL 210 Ca 0.40 -0.01 -0.04 0.00 0.00 0.00 0.00 61.98 62.33 2jtc s VAL 210 Cb -0.13 -0.13 0.25 0.00 0.00 0.00 0.00 36.38 36.37 2jtc s VAL 210 CO 0.20 0.06 0.98 -3.20 0.00 0.00 0.00 175.10 173.13 2jtc n ASN 211 N 3.32 4.90 -4.19 3.32 2.85 0.17 0.00 115.26 125.63 2jtc n ASN 211 Ca -0.16 -3.13 -0.35 0.00 -0.11 0.00 0.00 54.58 50.83 2jtc n ASN 211 Cb 0.57 -1.19 0.09 0.00 1.24 0.00 0.00 39.78 40.50 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 2.30 -2.47 -0.37 1.20 5.03 -1.26 -3.01 117.44 118.86 2jtc n TRP 212 Ca 0.23 0.22 -0.08 0.00 3.03 0.00 0.00 57.50 60.90 2jtc n TRP 212 Cb 0.38 -1.56 0.17 0.00 -1.03 0.00 0.00 31.31 29.27 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 2.55 3.18 0.00 6.99 0.00 -1.25 -4.87 105.19 111.78 2jtc n GLY 213 Ca 0.01 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.19 -1.71 0.00 1.61 5.03 -1.26 -4.69 117.44 116.22 2jtc n TRP 214 Ca 0.31 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.84 2jtc n TRP 214 Cb 1.11 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 31.39 2jtc n TRP 214 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 2jtc n GLY 215 N 5.00 1.81 2.56 6.99 0.00 -1.26 -4.83 105.19 115.46 2jtc n GLY 215 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 2jtc n GLY 215 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jtc n GLY 216 N 2.87 3.63 0.00 -0.02 0.00 -1.26 -4.98 105.19 105.43 2jtc n GLY 216 Ca 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.07 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 -0.13 0.00 -0.45 1.61 3.14 -1.26 -4.80 118.33 116.43 2jtc n VAL 217 Ca 0.23 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.49 2jtc n VAL 217 Cb 0.69 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 33.45 2jtc n VAL 217 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2jtc n SER 218 N 0.00 2.90 -4.37 6.55 7.64 -1.26 -4.77 113.62 120.32 2jtc n SER 218 Ca 0.00 -2.12 -0.45 0.00 1.01 0.00 0.00 58.87 57.30 2jtc n SER 218 Cb 0.00 -0.80 -0.04 0.00 -1.01 0.00 0.00 64.21 62.36 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 3.65 6.39 0.00 6.43 1.11 -1.26 -4.61 116.67 128.38 2jtc s ASP 219 Ca 0.25 -1.87 0.00 0.00 0.18 0.00 0.00 52.55 51.11 2jtc s ASP 219 Cb 0.08 -2.28 0.00 0.00 1.07 0.00 0.00 42.92 41.78 2jtc s ASP 219 CO -0.02 -0.95 0.00 0.61 1.18 0.00 0.00 175.17 175.99 2jtc n GLY 220 N 5.00 -0.74 3.73 0.21 0.00 0.10 -4.87 105.19 108.63 2jtc n GLY 220 Ca 0.01 0.25 -0.39 0.00 0.00 0.00 0.00 46.02 45.88 2jtc n GLY 220 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2jtc n PHE 221 N 0.00 2.20 -3.58 1.61 -1.74 -1.26 0.24 117.46 114.93 2jtc n PHE 221 Ca 0.00 0.45 0.00 0.00 -0.56 0.00 0.00 57.45 57.34 2jtc n PHE 221 Cb 0.00 -2.36 0.00 0.00 1.52 0.00 0.00 39.48 38.64 2jtc n PHE 221 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 2jtc n PHE 222 N -0.82 -0.20 -3.60 2.97 7.35 -0.84 -4.74 117.46 117.58 2jtc n PHE 222 Ca 0.09 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.78 2jtc n PHE 222 Cb 0.43 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.26 2jtc n PHE 222 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2jtc n ARG 223 N -0.07 1.55 -0.03 -4.13 1.74 -1.26 -4.69 116.66 109.76 2jtc n ARG 223 Ca 0.00 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.01 2jtc n ARG 223 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.41 2jtc n ARG 223 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2jtc n LEU 224 N 0.00 0.99 -1.22 0.55 4.77 -1.26 -4.67 117.00 116.16 2jtc n LEU 224 Ca 0.00 0.06 0.11 0.00 -0.03 0.00 0.00 56.01 56.15 2jtc n LEU 224 Cb 0.00 -0.21 0.28 0.00 -2.33 0.00 0.00 43.42 41.16 2jtc n LEU 224 CO 0.00 0.24 0.74 0.47 -1.33 0.00 0.00 177.39 177.51 2jtc n ASP 225 N -3.19 3.56 -3.86 -1.43 8.00 -1.26 -4.63 116.55 113.75 2jtc n ASP 225 Ca -0.13 -1.99 -0.29 0.00 0.71 0.00 0.00 54.79 53.09 2jtc n ASP 225 Cb 0.60 -0.39 -0.13 0.00 -0.02 0.00 0.00 41.12 41.19 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 -1.23 3.34 -2.08 2.24 0.00 -1.26 -4.88 121.76 117.89 2jtc s ALA 226 Ca 0.44 -3.46 0.25 0.00 0.00 0.00 0.00 51.96 49.19 2jtc s ALA 226 Cb 0.24 -2.10 0.54 0.00 0.00 0.00 0.00 23.12 21.79 2jtc s ALA 226 CO 0.31 -2.06 1.43 1.28 0.00 0.00 0.00 175.76 176.73 2jtc n LEU 227 N 2.51 1.58 -4.93 0.00 4.32 -1.26 -4.34 117.00 114.88 2jtc n LEU 227 Ca 0.15 -0.51 -0.25 0.00 -0.02 0.00 0.00 56.01 55.37 2jtc n LEU 227 Cb 0.35 -0.06 -0.01 0.00 -1.62 0.00 0.00 43.42 42.08 2jtc n LEU 227 CO 0.28 0.28 0.25 0.20 -1.22 0.00 0.00 177.39 177.18 2jtc s ASN 228 N -2.36 6.31 0.64 -1.43 0.01 -1.26 -4.51 114.94 112.33 2jtc s ASN 228 Ca 0.25 0.62 -0.11 0.00 -0.71 0.00 0.00 52.86 52.91 2jtc s ASN 228 Cb 0.19 -2.11 -0.03 0.00 0.41 0.00 0.00 41.25 39.72 2jtc s ASN 228 CO 0.48 -0.36 1.04 -2.16 -1.51 0.00 0.00 177.10 174.59 2jtc s PRO 229 N -4.32 3.39 -0.22 -0.60 0.04 -1.26 -5.02 135.00 127.01 2jtc s PRO 229 Ca 0.43 0.84 0.02 0.00 0.04 0.00 0.00 61.00 62.32 2jtc s PRO 229 Cb -0.10 -2.05 -0.15 0.00 0.04 0.00 0.00 34.50 32.24 2jtc s PRO 229 CO 0.38 -0.74 -0.20 -1.13 0.04 0.00 0.00 177.00 175.35 2jtc n SER 230 N -2.81 2.23 -4.58 6.66 3.41 -1.26 -4.84 113.62 112.43 2jtc n SER 230 Ca 0.07 -0.12 -0.42 0.00 -0.26 0.00 0.00 58.87 58.14 2jtc n SER 230 Cb 0.54 -0.34 -0.03 0.00 -0.26 0.00 0.00 64.21 64.13 2jtc n SER 230 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jtc s ALA 231 N -2.45 2.82 -0.01 7.33 0.00 -1.26 -4.89 121.76 123.30 2jtc s ALA 231 Ca -0.30 -0.34 -0.13 0.00 0.00 0.00 0.00 51.96 51.19 2jtc s ALA 231 Cb 0.08 -4.06 -0.07 0.00 0.00 0.00 0.00 23.12 19.07 2jtc s ALA 231 CO 0.52 -2.82 0.71 -0.07 0.00 0.00 0.00 175.76 174.10 2jtc h LEU 232 N 13.29 -0.39 0.00 0.00 3.38 -1.89 -3.50 115.31 126.20 2jtc h LEU 232 Ca -0.28 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2jtc h LEU 232 Cb 1.12 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2jtc h LEU 232 CO 1.13 -0.12 0.00 0.61 0.09 0.00 0.00 178.44 180.15 2jtc n GLY 233 N 0.16 -1.08 0.47 0.83 0.00 -1.26 -4.39 105.19 99.91 2jtc n GLY 233 Ca -0.06 -2.19 -0.15 0.00 0.00 0.00 0.00 46.02 43.62 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 -0.11 0.83 0.19 2.61 -1.04 -1.26 -4.48 114.28 111.02 2jtc n THR 234 Ca 0.00 -0.23 0.04 0.00 -2.04 0.00 0.00 64.05 61.82 2jtc n THR 234 Cb 0.00 -1.61 0.19 0.00 -1.82 0.00 0.00 70.33 67.09 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 2.16 1.99 0.37 3.41 0.00 -1.26 -4.30 105.19 107.56 2jtc n GLY 235 Ca -0.29 -0.44 -0.02 0.00 0.00 0.00 0.00 46.02 45.26 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 0.42 -0.31 2.60 -0.02 0.00 -1.26 -4.49 105.19 102.12 2jtc n GLY 236 Ca 0.13 -0.08 -0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 2.17 0.24 0.03 -0.02 0.00 -1.26 -4.89 105.19 101.45 2jtc n GLY 237 Ca -0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.36 0.00 4.61 0.00 -1.93 -3.47 119.26 118.10 2jtc h ALA 238 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2jtc h ALA 238 Cb 0.62 0.70 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2jtc h ALA 238 CO 0.01 -0.38 0.00 0.41 0.00 0.00 0.00 179.25 179.30 2jtc n GLY 239 N -1.03 1.53 0.00 0.00 0.00 -1.26 -4.82 105.19 99.62 2jtc n GLY 239 Ca -0.00 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.80 3.53 -0.02 0.00 -1.26 -4.88 105.19 100.76 2jtc n GLY 240 Ca 0.00 0.71 -0.25 0.00 0.00 0.00 0.00 46.02 46.48 2jtc n GLY 240 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2jtc s PHE 241 N 0.00 2.24 -0.50 1.61 -0.12 -1.26 -5.03 117.98 114.91 2jtc s PHE 241 Ca 0.00 -0.76 0.06 0.00 -0.05 0.00 0.00 56.93 56.18 2jtc s PHE 241 Cb 0.00 -1.48 0.21 0.00 -0.63 0.00 0.00 43.02 41.12 2jtc s PHE 241 CO 0.00 0.28 0.51 -1.71 -0.05 0.00 0.00 175.22 174.25 2jtc n ASN 242 N -0.80 1.21 -0.02 1.98 4.05 -1.26 -4.75 115.26 115.67 2jtc n ASN 242 Ca -0.04 -2.84 -0.11 0.00 0.45 0.00 0.00 54.58 52.04 2jtc n ASN 242 Cb 0.66 -0.64 -0.09 0.00 1.23 0.00 0.00 39.78 40.94 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 4.77 -0.08 -3.02 8.20 0.00 -1.91 -3.47 103.07 107.56 2jtc h GLY 243 Ca 0.17 0.03 -0.28 0.00 0.00 0.00 0.00 47.33 47.25 2jtc h GLY 243 CO 0.56 -0.03 -0.71 -0.19 0.00 0.00 0.00 176.54 176.17 2jtc s TYR 244 N -2.78 1.09 -0.13 5.60 1.51 -1.26 -5.00 117.35 116.38 2jtc s TYR 244 Ca -0.13 -0.81 -0.18 0.00 -1.01 0.00 0.00 57.07 54.94 2jtc s TYR 244 Cb -0.01 -0.58 0.04 0.00 -0.11 0.00 0.00 41.96 41.30 2jtc s TYR 244 CO 0.51 -0.02 0.47 -0.65 -1.11 0.00 0.00 175.55 174.75 2jtc s GLN 245 N -3.65 0.65 0.16 -0.62 -0.21 -1.26 0.12 119.66 114.85 2jtc s GLN 245 Ca 0.13 0.43 -0.17 0.00 0.02 0.00 0.00 55.36 55.76 2jtc s GLN 245 Cb 0.03 0.31 0.04 0.00 1.00 0.00 0.00 33.01 34.38 2jtc s GLN 245 CO -0.02 -0.13 0.48 -1.54 -2.12 0.00 0.00 175.29 171.96 2jtc s SER 246 N -0.28 -0.29 0.03 5.90 1.04 -1.14 -1.33 113.70 117.63 2jtc s SER 246 Ca -0.04 -0.35 0.02 0.00 0.48 0.00 0.00 55.95 56.05 2jtc s SER 246 Cb -0.03 0.53 -0.02 0.00 0.10 0.00 0.00 66.02 66.60 2jtc s SER 246 CO 0.03 -0.95 -0.06 0.00 0.98 0.00 0.00 173.24 173.23 2jtc s ALA 247 N -3.83 0.44 -0.21 5.32 0.00 0.05 -2.60 121.76 120.93 2jtc s ALA 247 Ca 0.06 -0.62 -0.04 0.00 0.00 0.00 0.00 51.96 51.35 2jtc s ALA 247 Cb 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.15 2jtc s ALA 247 CO -0.08 -0.03 -0.02 0.08 0.00 0.00 0.00 175.76 175.71 2jtc s VAL 248 N -1.16 3.61 0.04 0.00 1.01 0.15 0.16 120.40 124.21 2jtc s VAL 248 Ca -0.09 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.51 2jtc s VAL 248 Cb -0.08 -2.64 -0.02 0.00 0.00 0.00 0.00 36.38 33.63 2jtc s VAL 248 CO 0.00 0.42 -0.11 0.68 0.00 0.00 0.00 175.10 176.09 2jtc s VAL 249 N 1.31 0.82 0.00 2.92 -7.23 -1.05 -1.12 120.40 116.04 2jtc s VAL 249 Ca 0.04 -0.92 0.00 0.00 -1.81 0.00 0.00 61.98 59.29 2jtc s VAL 249 Cb -0.14 -0.78 0.00 0.00 0.56 0.00 0.00 36.38 36.02 2jtc s VAL 249 CO -0.01 -0.12 0.00 0.61 -0.31 0.00 0.00 175.10 175.28 2jtc n GLY 250 N 1.89 0.68 3.30 2.32 0.00 -1.26 -2.86 105.19 109.25 2jtc n GLY 250 Ca -0.19 -0.38 -0.45 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.88 5.13 -0.19 -0.61 1.01 -1.26 -2.03 121.20 121.36 2jtc s ILE 251 Ca 0.00 -1.75 -0.28 0.00 0.00 0.00 0.00 60.65 58.62 2jtc s ILE 251 Cb 0.00 -4.27 0.09 0.00 0.01 0.00 0.00 42.46 38.29 2jtc s ILE 251 CO 0.00 -0.89 0.81 -1.59 0.00 0.00 0.00 174.94 173.27 2jtc s LYS 252 N 1.26 0.80 0.00 2.79 -2.85 -1.26 -4.93 119.74 115.55 2jtc s LYS 252 Ca 0.07 0.58 0.32 0.00 -1.00 0.00 0.00 55.97 55.93 2jtc s LYS 252 Cb -0.25 0.39 1.88 0.00 -2.06 0.00 0.00 37.83 37.78 2jtc s LYS 252 CO 0.00 -0.17 2.21 -0.35 0.10 0.00 0.00 175.35 177.13