#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 2.67 -0.06 3.69 0.04 -1.26 -4.54 135.00 135.55 2jtc s PRO 2 Ca 0.00 0.57 -0.04 0.00 0.04 0.00 0.00 61.00 61.57 2jtc s PRO 2 Cb 0.00 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 2jtc s PRO 2 CO 0.00 -1.19 0.15 0.08 0.04 0.00 0.00 177.00 176.08 2jtc s VAL 3 N -3.26 5.39 -0.03 -0.36 1.01 -1.26 -3.64 120.40 118.25 2jtc s VAL 3 Ca 0.59 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.55 2jtc s VAL 3 Cb -0.12 -3.44 0.02 0.00 0.00 0.00 0.00 36.38 32.84 2jtc s VAL 3 CO 0.53 0.46 -0.03 -0.69 0.00 0.00 0.00 175.10 175.36 2jtc s VAL 4 N -1.18 0.38 0.94 2.92 1.01 0.89 -4.85 120.40 120.52 2jtc s VAL 4 Ca 0.22 -0.07 -0.16 0.00 0.00 0.00 0.00 61.98 61.97 2jtc s VAL 4 Cb -0.12 -0.42 0.22 0.00 0.00 0.00 0.00 36.38 36.06 2jtc s VAL 4 CO 0.12 0.18 1.09 0.29 0.00 0.00 0.00 175.10 176.78 2jtc n LYS 5 N 3.88 -1.80 -2.49 2.72 4.76 -1.26 0.01 118.16 123.99 2jtc n LYS 5 Ca -0.24 -1.70 -0.42 0.00 -2.87 0.00 0.00 58.31 53.07 2jtc n LYS 5 Cb 0.52 -1.29 -0.02 0.00 -1.84 0.00 0.00 35.03 32.39 2jtc n LYS 5 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2jtc s SER 6 N -4.83 6.32 0.14 4.39 0.15 -1.22 -3.61 113.70 115.04 2jtc s SER 6 Ca 0.65 0.25 -0.18 0.00 0.70 0.00 0.00 55.95 57.37 2jtc s SER 6 Cb -0.03 -2.55 0.03 0.00 -1.71 0.00 0.00 66.02 61.75 2jtc s SER 6 CO 0.47 -1.56 1.74 -0.07 1.20 0.00 0.00 173.24 175.02 2jtc h LEU 7 N 12.39 0.03 -0.84 3.45 3.38 0.22 0.64 115.31 134.58 2jtc h LEU 7 Ca -0.26 0.04 0.10 0.00 0.09 0.00 0.00 57.88 57.86 2jtc h LEU 7 Cb 1.07 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.81 2jtc h LEU 7 CO 1.17 0.05 0.48 -0.07 0.09 0.00 0.00 178.44 180.16 2jtc h LEU 8 N 0.18 0.68 -0.51 1.67 3.38 -1.90 -0.31 115.31 118.51 2jtc h LEU 8 Ca 0.14 0.05 -0.11 0.00 0.09 0.00 0.00 57.88 58.05 2jtc h LEU 8 Cb 0.14 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2jtc h LEU 8 CO -0.17 0.38 -0.10 -0.78 0.09 0.00 0.00 178.44 177.86 2jtc h ASP 9 N 0.80 0.96 0.00 -0.43 1.82 -1.32 0.51 116.42 118.76 2jtc h ASP 9 Ca 0.41 -0.35 0.00 0.00 -0.39 0.00 0.00 57.03 56.70 2jtc h ASP 9 Cb 0.38 -0.26 0.00 0.00 0.68 0.00 0.00 39.33 40.13 2jtc h ASP 9 CO -0.25 1.09 0.07 0.77 -1.61 0.00 0.00 179.24 179.31 2jtc h SER 10 N 0.82 0.00 -0.10 2.28 4.64 0.20 0.58 113.55 121.97 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 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 2jtc h SER 10 CO 0.05 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.30 2jtc n LYS 11 N -2.35 2.19 -4.09 4.77 5.02 -0.61 -4.95 118.16 118.14 2jtc n LYS 11 Ca -0.02 -2.37 -0.34 0.00 -2.02 0.00 0.00 58.31 53.56 2jtc n LYS 11 Cb 0.11 -1.46 -0.02 0.00 -0.02 0.00 0.00 35.03 33.64 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 -0.83 -0.46 3.53 0.72 0.00 0.20 -4.71 105.19 103.65 2jtc n GLY 12 Ca 0.14 0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.85 2jtc n GLY 12 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jtc s ILE 13 N -3.20 4.82 -0.46 -0.61 1.01 0.17 -2.63 121.20 120.29 2jtc s ILE 13 Ca 0.70 0.21 0.03 0.00 0.00 0.00 0.00 60.65 61.59 2jtc s ILE 13 Cb -0.38 -4.20 0.16 0.00 0.01 0.00 0.00 42.46 38.05 2jtc s ILE 13 CO 0.85 -0.57 0.33 -1.00 0.00 0.00 0.00 174.94 174.56 2jtc s HIS 14 N 2.85 1.63 0.80 3.97 3.76 0.73 -4.56 115.29 124.46 2jtc s HIS 14 Ca 0.24 -2.42 -0.04 0.00 -0.15 0.00 0.00 55.06 52.68 2jtc s HIS 14 Cb -0.14 -1.39 0.16 0.00 1.11 0.00 0.00 32.58 32.32 2jtc s HIS 14 CO 0.19 -0.77 1.09 0.71 -0.85 0.00 0.00 174.74 175.11 2jtc s TYR 15 N -0.03 1.34 0.00 1.40 2.02 -1.25 -3.59 117.35 117.24 2jtc s TYR 15 Ca 0.27 -0.23 0.00 0.00 -0.37 0.00 0.00 57.07 56.74 2jtc s TYR 15 Cb -0.06 -3.26 0.00 0.00 -0.40 0.00 0.00 41.96 38.24 2jtc s TYR 15 CO -0.13 -2.05 0.00 -1.71 -1.57 0.00 0.00 175.55 170.09 2jtc n ASN 16 N -3.10 0.00 0.00 2.29 5.15 -1.26 -5.01 115.26 113.33 2jtc n ASN 16 Ca 0.16 -0.32 0.00 0.00 -0.60 0.00 0.00 54.58 53.82 2jtc n ASN 16 Cb 0.60 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.85 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 1.67 -0.03 1.20 6.02 -1.26 -4.68 117.38 120.30 2jtc n GLN 17 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.96 2jtc n GLN 17 Cb 0.00 -0.88 -0.03 0.00 1.02 0.00 0.00 30.24 30.35 2jtc n GLN 17 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jtc n GLY 18 N 1.94 -0.16 0.00 1.08 0.00 -1.26 -0.62 105.19 106.17 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 -2.43 0.00 0.00 1.61 4.05 -1.26 -3.47 115.26 113.76 2jtc n ASN 19 Ca -0.09 0.00 0.07 0.00 0.45 0.00 0.00 54.58 55.00 2jtc n ASN 19 Cb 0.63 0.00 0.40 0.00 1.23 0.00 0.00 39.78 42.04 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 0.75 0.09 1.20 -0.04 -1.26 -2.84 135.00 132.90 2jtc n PRO 20 Ca 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.32 2jtc n PRO 20 Cb 0.00 -1.28 -0.14 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 0.40 -0.29 0.54 -1.99 -1.87 -3.16 116.97 110.60 2jtc h TYR 21 Ca 0.00 -0.29 0.00 0.00 2.00 0.00 0.00 58.73 60.44 2jtc h TYR 21 Cb 0.00 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 38.71 2jtc h TYR 21 CO 0.00 1.24 0.00 0.27 -0.00 0.00 0.00 178.16 179.67 2jtc n ASN 22 N -3.49 2.52 0.00 3.88 6.94 -1.13 -4.03 115.26 119.95 2jtc n ASN 22 Ca -0.08 -2.23 0.08 0.00 -0.02 0.00 0.00 54.58 52.33 2jtc n ASN 22 Cb 1.01 -0.43 0.38 0.00 -2.36 0.00 0.00 39.78 38.39 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 0.36 0.00 0.00 -4.53 4.77 -1.19 -2.77 117.00 113.64 2jtc n LEU 23 Ca 0.12 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 2jtc n LEU 23 Cb 0.50 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 2jtc n LEU 23 CO 0.11 -0.15 0.06 0.18 -1.33 0.00 0.00 177.39 176.27 2jtc n LEU 24 N -1.30 0.24 -4.59 2.23 4.77 -1.26 -5.01 117.00 112.09 2jtc n LEU 24 Ca 0.07 -0.41 -0.30 0.00 -0.03 0.00 0.00 56.01 55.35 2jtc n LEU 24 Cb 0.13 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.42 2jtc n LEU 24 CO 0.12 0.06 0.60 0.42 -1.33 0.00 0.00 177.39 177.26 2jtc s THR 25 N -0.33 2.09 0.24 -5.08 -4.23 -1.11 -4.84 115.64 102.37 2jtc s THR 25 Ca 0.00 0.03 -0.30 0.00 -1.18 0.00 0.00 61.69 60.24 2jtc s THR 25 Cb 0.00 -2.09 -0.09 0.00 1.34 0.00 0.00 72.50 71.66 2jtc s THR 25 CO 0.00 -0.04 1.28 -2.16 -0.54 0.00 0.00 174.62 173.16 2jtc s PRO 26 N -4.57 4.41 0.44 3.99 0.04 -1.26 -4.60 135.00 133.45 2jtc s PRO 26 Ca 0.67 2.06 -0.22 0.00 0.04 0.00 0.00 61.00 63.55 2jtc s PRO 26 Cb -0.24 -3.17 -0.09 0.00 0.04 0.00 0.00 34.50 31.05 2jtc s PRO 26 CO 0.61 -0.18 1.03 0.08 0.04 0.00 0.00 177.00 178.58 2jtc s VAL 27 N -0.33 3.87 0.46 -0.36 1.01 -1.26 -1.18 120.40 122.60 2jtc s VAL 27 Ca 0.53 1.28 -0.20 0.00 0.00 0.00 0.00 61.98 63.59 2jtc s VAL 27 Cb -0.37 -3.59 -0.10 0.00 0.00 0.00 0.00 36.38 32.33 2jtc s VAL 27 CO 0.42 -0.14 0.98 -0.63 0.00 0.00 0.00 175.10 175.74 2jtc s ILE 28 N -1.87 4.19 0.00 2.22 1.01 0.11 -4.84 121.20 122.02 2jtc s ILE 28 Ca 0.62 1.33 0.00 0.00 0.00 0.00 0.00 60.65 62.60 2jtc s ILE 28 Cb -0.18 -3.55 0.00 0.00 0.01 0.00 0.00 42.46 38.74 2jtc s ILE 28 CO 0.22 -0.32 0.00 -0.62 0.00 0.00 0.00 174.94 174.22 2jtc n GLU 29 N -0.85 1.98 -4.54 2.79 1.02 -0.07 -0.24 120.64 120.74 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 -0.87 -0.11 0.00 -0.02 0.00 0.00 31.44 30.98 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 -1.57 1.81 0.01 3.49 1.02 0.76 -4.80 119.74 120.47 2jtc s LYS 30 Ca 0.00 -1.95 0.05 0.00 0.02 0.00 0.00 55.97 54.09 2jtc s LYS 30 Cb 0.00 -1.62 -0.03 0.00 -0.52 0.00 0.00 37.83 35.66 2jtc s LYS 30 CO 0.00 0.09 -0.15 0.08 -0.92 0.00 0.00 175.35 174.45 2jtc s VAL 31 N -2.68 3.02 0.69 3.17 1.01 -1.23 -4.29 120.40 120.10 2jtc s VAL 31 Ca 0.33 -0.99 -0.12 0.00 0.00 0.00 0.00 61.98 61.20 2jtc s VAL 31 Cb 0.04 -2.26 0.01 0.00 0.00 0.00 0.00 36.38 34.17 2jtc s VAL 31 CO 0.16 0.41 1.07 -0.54 0.00 0.00 0.00 175.10 176.20 2jtc s LYS 32 N -1.26 2.85 -0.39 2.72 -0.14 -1.26 -4.84 119.74 117.42 2jtc s LYS 32 Ca 0.14 1.05 -0.28 0.00 -1.36 0.00 0.00 55.97 55.53 2jtc s LYS 32 Cb -0.11 -1.98 0.02 0.00 -1.68 0.00 0.00 37.83 34.09 2jtc s LYS 32 CO 0.05 -1.17 1.03 -1.25 -0.76 0.00 0.00 175.35 173.24 2jtc s PRO 33 N -4.83 3.86 0.00 -1.68 0.04 -1.26 -3.16 135.00 127.98 2jtc s PRO 33 Ca 0.60 0.70 0.00 0.00 0.04 0.00 0.00 61.00 62.34 2jtc s PRO 33 Cb -0.15 -3.82 0.00 0.00 0.04 0.00 0.00 34.50 30.57 2jtc s PRO 33 CO 0.52 -1.06 0.00 0.41 0.04 0.00 0.00 177.00 176.91 2jtc n GLY 34 N 4.38 0.72 3.47 0.56 0.00 -1.26 -5.07 105.19 107.98 2jtc n GLY 34 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.87 1.65 1.36 1.61 2.56 -1.19 -5.13 118.70 118.70 2jtc s GLU 35 Ca 0.00 -1.78 -0.20 0.00 0.00 0.00 0.00 54.97 52.99 2jtc s GLU 35 Cb 0.00 -1.61 0.35 0.00 2.00 0.00 0.00 34.13 34.87 2jtc s GLU 35 CO 0.00 0.24 0.95 -0.65 -0.56 0.00 0.00 175.26 175.24 2jtc s GLN 36 N -3.57 -2.44 0.08 4.30 -1.52 -1.26 -4.68 119.66 110.57 2jtc s GLN 36 Ca 0.29 0.39 -0.28 0.00 -1.95 0.00 0.00 55.36 53.81 2jtc s GLN 36 Cb -0.02 -1.41 -0.06 0.00 -0.22 0.00 0.00 33.01 31.30 2jtc s GLN 36 CO 0.14 -4.62 0.89 0.45 -0.25 0.00 0.00 175.29 171.90 2jtc s SER 37 N -2.85 7.38 -0.04 5.90 0.15 -1.26 -4.49 113.70 118.49 2jtc s SER 37 Ca 0.68 1.65 0.07 0.00 0.70 0.00 0.00 55.95 59.06 2jtc s SER 37 Cb -0.18 -2.54 0.13 0.00 -1.71 0.00 0.00 66.02 61.72 2jtc s SER 37 CO 0.61 -0.04 1.09 0.49 1.20 0.00 0.00 173.24 176.58 2jtc n PHE 38 N 2.85 0.10 -1.91 3.44 3.72 -1.26 -5.00 117.46 119.39 2jtc n PHE 38 Ca 0.01 -0.64 -0.41 0.00 -0.05 0.00 0.00 57.45 56.36 2jtc n PHE 38 Cb 0.50 -0.08 -0.01 0.00 -0.94 0.00 0.00 39.48 38.94 2jtc n PHE 38 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2jtc s VAL 39 N -1.55 2.31 0.00 -4.37 1.01 -1.26 -1.09 120.40 115.45 2jtc s VAL 39 Ca 0.13 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.40 2jtc s VAL 39 Cb 0.10 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.29 2jtc s VAL 39 CO 0.03 0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.81 2jtc n GLY 40 N 0.93 0.91 3.76 4.51 0.00 0.67 -4.89 105.19 111.08 2jtc n GLY 40 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.01 4.31 -0.36 1.61 -0.21 -0.25 -4.72 119.66 120.02 2jtc s GLN 41 Ca 0.00 0.68 -0.29 0.00 0.02 0.00 0.00 55.36 55.77 2jtc s GLN 41 Cb 0.00 -3.36 0.00 0.00 1.00 0.00 0.00 33.01 30.65 2jtc s GLN 41 CO 0.00 0.33 1.49 -1.01 -2.12 0.00 0.00 175.29 173.97 2jtc s HIS 42 N -0.03 2.30 0.97 0.91 3.76 -1.26 0.08 115.29 122.02 2jtc s HIS 42 Ca 0.30 0.68 -0.13 0.00 -0.15 0.00 0.00 55.06 55.75 2jtc s HIS 42 Cb -0.18 -4.19 0.04 0.00 1.11 0.00 0.00 32.58 29.36 2jtc s HIS 42 CO 0.16 -2.22 0.35 0.00 -0.85 0.00 0.00 174.74 172.19 2jtc n ALA 43 N 8.88 -2.80 -1.73 -1.40 0.00 -0.33 -4.87 120.51 118.27 2jtc n ALA 43 Ca 0.18 -0.69 -0.29 0.00 0.00 0.00 0.00 53.44 52.64 2jtc n ALA 43 Cb 0.47 -1.76 0.09 0.00 0.00 0.00 0.00 19.45 18.25 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 2.43 0.08 0.00 0.00 -0.70 -4.65 121.76 116.54 2jtc s ALA 44 Ca 0.57 -0.43 -0.01 0.00 0.00 0.00 0.00 51.96 52.08 2jtc s ALA 44 Cb -0.20 -3.03 -0.27 0.00 0.00 0.00 0.00 23.12 19.62 2jtc s ALA 44 CO 0.67 -1.68 1.15 1.79 0.00 0.00 0.00 175.76 177.69 2jtc h THR 45 N -1.05 1.52 0.00 0.00 1.35 -1.19 -3.41 112.91 110.12 2jtc h THR 45 Ca -0.47 -3.13 0.00 0.00 -0.55 0.00 0.00 66.41 62.26 2jtc h THR 45 Cb 1.29 2.90 0.00 0.00 -1.73 0.00 0.00 68.15 70.62 2jtc h THR 45 CO 0.63 0.90 0.00 0.61 -0.25 0.00 0.00 175.52 177.41 2jtc n GLY 46 N 1.50 2.27 0.15 5.82 0.00 -1.24 -4.31 105.19 109.39 2jtc n GLY 46 Ca -0.07 -1.53 -0.06 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.06 -0.54 1.61 4.64 -1.88 0.19 113.55 117.50 2jtc h SER 47 Ca 0.00 0.07 0.10 0.00 -0.47 0.00 0.00 61.79 61.49 2jtc h SER 47 Cb 0.00 0.11 -0.11 0.00 -0.31 0.00 0.00 62.40 62.09 2jtc h SER 47 CO 0.00 0.00 -0.28 0.58 -0.87 0.00 0.00 176.83 176.27 2jtc h VAL 48 N 0.14 0.25 -0.16 0.95 2.07 -1.80 1.70 116.25 119.41 2jtc h VAL 48 Ca 0.16 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.67 2jtc h VAL 48 Cb 0.21 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 2jtc h VAL 48 CO -0.25 0.00 0.04 0.00 0.02 0.00 0.00 177.57 177.38 2jtc h ALA 49 N 1.11 0.21 0.00 1.67 0.00 -1.43 -1.84 119.26 118.98 2jtc h ALA 49 Ca 0.23 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2jtc h ALA 49 Cb 0.52 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2jtc h ALA 49 CO -0.62 -0.16 -0.14 1.15 0.00 0.00 0.00 179.25 179.48 2jtc h THR 50 N 0.06 1.04 -0.15 0.00 2.02 0.86 1.13 112.91 117.88 2jtc h THR 50 Ca 0.05 -0.47 -0.04 0.00 0.77 0.00 0.00 66.41 66.72 2jtc h THR 50 Cb 0.25 1.26 -0.00 0.00 -1.74 0.00 0.00 68.15 67.91 2jtc h THR 50 CO -0.00 0.13 -0.05 0.00 0.37 0.00 0.00 175.52 175.97 2jtc h ALA 51 N 1.86 0.21 -0.00 6.16 0.00 0.29 -2.36 119.26 125.42 2jtc h ALA 51 Ca -0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 2jtc h ALA 51 Cb 0.25 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2jtc h ALA 51 CO 0.02 -0.02 -0.12 1.15 0.00 0.00 0.00 179.25 180.29 2jtc h THR 52 N -0.02 1.59 -0.90 0.00 2.02 -0.65 -2.96 112.91 111.99 2jtc h THR 52 Ca 0.04 -1.89 0.22 0.00 0.77 0.00 0.00 66.41 65.54 2jtc h THR 52 Cb 0.50 2.83 -0.06 0.00 -1.74 0.00 0.00 68.15 69.68 2jtc h THR 52 CO 0.02 0.50 0.61 0.00 0.37 0.00 0.00 175.52 177.02 2jtc h ALA 53 N 0.24 2.34 0.02 6.16 0.00 0.12 2.19 119.26 130.33 2jtc h ALA 53 Ca -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jtc h ALA 53 Cb 0.89 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2jtc h ALA 53 CO 0.02 -0.63 -0.01 1.96 0.00 0.00 0.00 179.25 180.60 2jtc h GLN 54 N 0.32 -0.03 0.00 0.00 4.20 -1.43 0.40 115.11 118.57 2jtc h GLN 54 Ca 0.47 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 59.16 2jtc h GLN 54 Cb 1.30 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 29.08 2jtc h GLN 54 CO -0.15 0.38 -0.10 0.82 -0.67 0.00 0.00 178.83 179.11 2jtc h ILE 55 N -0.45 0.47 -0.13 2.54 2.04 -0.52 0.59 117.51 122.05 2jtc h ILE 55 Ca -0.00 -0.49 -0.18 0.00 1.00 0.00 0.00 64.86 65.18 2jtc h ILE 55 Cb 0.42 1.34 -0.00 0.00 -0.74 0.00 0.00 36.82 37.83 2jtc h ILE 55 CO 0.01 0.10 -0.66 0.24 0.00 0.00 0.00 178.15 177.83 2jtc h MET 56 N 0.00 0.52 -0.16 2.37 2.86 0.41 -2.48 114.93 118.46 2jtc h MET 56 Ca -0.00 -0.39 -0.11 0.00 -2.06 0.00 0.00 59.70 57.15 2jtc h MET 56 Cb 0.33 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.06 2jtc h MET 56 CO 0.01 1.01 -0.32 -0.22 1.06 0.00 0.00 176.91 178.45 2jtc h LYS 57 N 0.38 0.49 -0.68 1.72 1.63 0.24 1.54 116.57 121.88 2jtc h LYS 57 Ca -0.02 -0.32 0.19 0.00 -0.85 0.00 0.00 60.65 59.65 2jtc h LYS 57 Cb 1.24 0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 32.88 2jtc h LYS 57 CO 0.12 0.93 0.49 -0.92 -3.45 0.00 0.00 179.45 176.62 2jtc h TYR 58 N 0.12 0.07 0.00 1.91 5.03 0.18 -2.15 116.97 122.13 2jtc h TYR 58 Ca 0.00 0.00 -0.08 0.00 2.58 0.00 0.00 58.73 61.23 2jtc h TYR 58 Cb 0.92 -0.02 -0.02 0.00 1.55 0.00 0.00 36.73 39.16 2jtc h TYR 58 CO 0.10 0.02 -1.70 0.72 -1.32 0.00 0.00 178.16 175.98 2jtc n HIS 59 N -4.36 0.00 -4.10 -3.82 8.25 -0.95 -5.00 115.22 105.24 2jtc n HIS 59 Ca 0.13 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.15 2jtc n HIS 59 Cb 0.72 -0.41 0.01 0.00 1.12 0.00 0.00 29.99 31.42 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 -2.14 -3.41 0.00 0.41 0.23 0.52 -4.88 115.26 105.99 2jtc n ASN 60 Ca -0.09 -1.26 0.00 0.00 -0.53 0.00 0.00 54.58 52.70 2jtc n ASN 60 Cb 0.55 -1.52 0.00 0.00 -2.08 0.00 0.00 39.78 36.73 2jtc n ASN 60 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2jtc n TYR 61 N -4.90 0.00 -2.15 -2.53 9.36 -1.26 -4.75 117.16 110.93 2jtc n TYR 61 Ca -0.13 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.67 2jtc n TYR 61 Cb 0.55 -0.16 -0.03 0.00 -0.63 0.00 0.00 39.34 39.08 2jtc n TYR 61 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 2jtc s PRO 62 N -0.45 3.35 0.45 2.98 0.04 -1.26 -4.79 135.00 135.31 2jtc s PRO 62 Ca 0.00 1.11 0.20 0.00 0.04 0.00 0.00 61.00 62.35 2jtc s PRO 62 Cb 0.00 -4.15 1.06 0.00 0.04 0.00 0.00 34.50 31.45 2jtc s PRO 62 CO 0.00 -1.85 1.94 -0.91 0.04 0.00 0.00 177.00 176.22 2jtc h ASN 63 N 12.20 0.00 -3.45 6.66 4.21 -1.85 -3.39 115.58 129.96 2jtc h ASN 63 Ca -0.30 0.00 -0.50 0.00 1.21 0.00 0.00 56.30 56.71 2jtc h ASN 63 Cb 1.14 0.00 -0.33 0.00 -1.12 0.00 0.00 38.32 38.01 2jtc h ASN 63 CO 1.08 0.24 -0.81 -0.75 -1.29 0.00 0.00 177.43 175.90 2jtc s LYS 64 N -4.14 1.55 1.12 0.81 2.20 -1.26 -0.45 119.74 119.57 2jtc s LYS 64 Ca -0.02 -0.37 -0.14 0.00 -0.36 0.00 0.00 55.97 55.07 2jtc s LYS 64 Cb 0.13 -1.31 0.20 0.00 -1.51 0.00 0.00 37.83 35.34 2jtc s LYS 64 CO 0.65 0.02 0.67 0.41 -0.36 0.00 0.00 175.35 176.75 2jtc n GLY 65 N 3.80 -1.99 0.13 5.54 0.00 -0.70 -4.83 105.19 107.14 2jtc n GLY 65 Ca -0.23 -0.98 -0.18 0.00 0.00 0.00 0.00 46.02 44.63 2jtc n GLY 65 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2jtc n LEU 66 N -3.59 2.51 -3.70 0.99 0.00 0.41 -4.10 117.00 109.52 2jtc n LEU 66 Ca 0.04 0.02 -0.11 0.00 0.00 0.00 0.00 56.01 55.96 2jtc n LEU 66 Cb 0.56 -0.81 -0.10 0.00 0.00 0.00 0.00 43.42 43.07 2jtc n LEU 66 CO 0.54 0.85 0.10 -0.75 0.00 0.00 0.00 177.39 178.13 2jtc s LYS 67 N -2.54 0.46 1.15 1.96 2.20 -0.01 -4.38 119.74 118.58 2jtc s LYS 67 Ca -0.27 0.79 -0.12 0.00 -0.36 0.00 0.00 55.97 56.01 2jtc s LYS 67 Cb 0.08 0.06 0.28 0.00 -1.51 0.00 0.00 37.83 36.74 2jtc s LYS 67 CO 0.69 -0.13 1.04 -0.51 -0.36 0.00 0.00 175.35 176.07 2jtc s ASP 68 N 1.14 1.03 -0.14 1.43 1.11 -1.26 -3.17 116.67 116.81 2jtc s ASP 68 Ca -0.07 1.61 -0.16 0.00 0.18 0.00 0.00 52.55 54.12 2jtc s ASP 68 Cb -0.07 -2.36 0.04 0.00 1.07 0.00 0.00 42.92 41.60 2jtc s ASP 68 CO -0.10 -4.18 0.42 -0.47 1.18 0.00 0.00 175.17 172.02 2jtc s TYR 69 N -2.45 -0.44 0.03 4.23 6.14 0.33 -4.79 117.35 120.40 2jtc s TYR 69 Ca 0.68 1.03 -0.06 0.00 0.64 0.00 0.00 57.07 59.36 2jtc s TYR 69 Cb -0.25 0.16 -0.01 0.00 0.42 0.00 0.00 41.96 42.29 2jtc s TYR 69 CO 0.64 -0.27 0.12 -0.08 0.64 0.00 0.00 175.55 176.61 2jtc s THR 70 N -0.05 0.12 0.07 4.34 -1.32 -1.26 0.13 115.64 117.67 2jtc s THR 70 Ca -0.02 -0.96 -0.17 0.00 -1.21 0.00 0.00 61.69 59.33 2jtc s THR 70 Cb -0.03 -0.77 0.03 0.00 -1.51 0.00 0.00 72.50 70.22 2jtc s THR 70 CO 0.02 -0.53 0.39 -0.72 -2.21 0.00 0.00 174.62 171.57 2jtc s TYR 71 N -2.27 -0.22 -0.17 9.09 1.13 -0.50 -4.94 117.35 119.47 2jtc s TYR 71 Ca -0.08 0.07 -0.17 0.00 -1.41 0.00 0.00 57.07 55.48 2jtc s TYR 71 Cb -0.03 0.21 -0.04 0.00 -1.10 0.00 0.00 41.96 41.01 2jtc s TYR 71 CO -0.03 -0.61 0.45 0.99 -2.51 0.00 0.00 175.55 173.84 2jtc s THR 72 N -2.98 5.18 0.55 -3.49 2.01 -1.26 -0.81 115.64 114.84 2jtc s THR 72 Ca -0.02 0.85 -0.18 0.00 0.31 0.00 0.00 61.69 62.65 2jtc s THR 72 Cb 0.00 -3.78 -0.11 0.00 0.01 0.00 0.00 72.50 68.62 2jtc s THR 72 CO -0.06 0.27 0.20 -0.11 -0.69 0.00 0.00 174.62 174.23 2jtc n LEU 73 N 4.18 -1.40 -4.77 4.42 7.94 0.37 -4.84 117.00 122.91 2jtc n LEU 73 Ca -0.07 0.68 -0.40 0.00 -1.11 0.00 0.00 56.01 55.12 2jtc n LEU 73 Cb 0.51 -1.02 0.01 0.00 0.53 0.00 0.00 43.42 43.46 2jtc n LEU 73 CO 0.42 -3.91 1.04 -0.94 -1.11 0.00 0.00 177.39 172.88 2jtc s SER 74 N -1.10 5.97 0.00 1.96 1.04 -1.26 -4.80 113.70 115.51 2jtc s SER 74 Ca 0.63 2.85 0.16 0.00 0.48 0.00 0.00 55.95 60.06 2jtc s SER 74 Cb -0.46 -2.65 0.89 0.00 0.10 0.00 0.00 66.02 63.90 2jtc s SER 74 CO 0.60 -1.10 1.39 -1.54 0.98 0.00 0.00 173.24 173.57 2jtc n SER 75 N -0.14 0.00 -0.17 7.02 3.41 -1.26 -1.80 113.62 120.67 2jtc n SER 75 Ca 0.05 -0.29 0.10 0.00 -0.26 0.00 0.00 58.87 58.47 2jtc n SER 75 Cb 0.42 -0.10 -0.07 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 -1.10 1.35 -4.61 4.04 5.15 -1.26 -4.89 115.26 113.93 2jtc n ASN 76 Ca 0.10 -1.17 -0.43 0.00 -0.60 0.00 0.00 54.58 52.48 2jtc n ASN 76 Cb 0.08 0.81 -0.02 0.00 -0.53 0.00 0.00 39.78 40.11 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 -2.82 6.20 0.00 1.20 3.84 -0.75 -4.84 114.94 117.77 2jtc s ASN 77 Ca 0.12 1.34 0.10 0.00 0.21 0.00 0.00 52.86 54.63 2jtc s ASN 77 Cb 0.17 -2.53 0.33 0.00 -0.55 0.00 0.00 41.25 38.67 2jtc s ASN 77 CO 0.76 -1.45 1.26 -0.81 -2.79 0.00 0.00 177.10 174.07 2jtc n PRO 78 N 8.02 1.59 -0.00 0.43 -0.04 -1.26 -3.89 135.00 139.84 2jtc n PRO 78 Ca 0.20 -0.91 0.08 0.00 -0.04 0.00 0.00 63.50 62.83 2jtc n PRO 78 Cb 0.46 -1.23 -0.11 0.00 -0.04 0.00 0.00 33.50 32.59 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 0.22 0.00 -4.31 0.54 4.01 -1.26 -3.50 117.16 112.85 2jtc n TYR 79 Ca 0.10 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.67 2jtc n TYR 79 Cb 0.22 -0.15 -0.10 0.00 -0.31 0.00 0.00 39.34 39.00 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 -2.77 1.56 0.00 -0.72 0.40 -1.25 0.27 117.98 115.46 2jtc s PHE 80 Ca 0.01 -0.62 0.00 0.00 -0.60 0.00 0.00 56.93 55.72 2jtc s PHE 80 Cb 0.12 -0.75 0.00 0.00 0.51 0.00 0.00 43.02 42.90 2jtc s PHE 80 CO 0.67 0.26 0.52 0.09 0.70 0.00 0.00 175.22 177.47 2jtc n ASN 81 N -0.26 0.00 0.00 1.36 3.02 -1.26 -4.90 115.26 113.23 2jtc n ASN 81 Ca -0.09 0.52 0.00 0.00 -0.03 0.00 0.00 54.58 54.98 2jtc n ASN 81 Cb 0.60 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.75 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 -0.90 0.00 -1.03 3.10 8.25 -1.26 -4.96 115.22 118.43 2jtc n HIS 82 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.19 2jtc n HIS 82 Cb 0.00 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.06 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 2.75 -3.58 -0.41 -0.04 -1.26 -4.18 135.00 128.28 2jtc n PRO 83 Ca 0.00 -1.66 -0.41 0.00 -0.04 0.00 0.00 63.50 61.39 2jtc n PRO 83 Cb 0.00 -2.49 -0.10 0.00 -0.04 0.00 0.00 33.50 30.87 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 2.36 2.65 -0.18 0.54 2.47 -1.26 -4.96 119.74 121.35 2jtc s LYS 84 Ca 0.57 -1.44 -0.09 0.00 -1.56 0.00 0.00 55.97 53.45 2jtc s LYS 84 Cb 0.18 -3.82 -0.05 0.00 -1.46 0.00 0.00 37.83 32.68 2jtc s LYS 84 CO -0.04 -0.96 0.12 -0.80 0.16 0.00 0.00 175.35 173.84 2jtc s ASN 85 N 2.16 6.18 -0.03 1.43 0.01 -1.26 0.14 114.94 123.57 2jtc s ASN 85 Ca 0.03 0.27 -0.01 0.00 -0.71 0.00 0.00 52.86 52.44 2jtc s ASN 85 Cb -0.23 -2.07 -0.04 0.00 0.41 0.00 0.00 41.25 39.33 2jtc s ASN 85 CO 0.03 0.23 0.04 -0.76 -1.51 0.00 0.00 177.10 175.12 2jtc s LEU 86 N 0.05 3.72 -0.06 0.60 1.02 0.01 -4.90 118.68 119.12 2jtc s LEU 86 Ca 0.09 0.12 0.02 0.00 0.02 0.00 0.00 54.13 54.38 2jtc s LEU 86 Cb -0.11 -2.05 0.02 0.00 0.02 0.00 0.00 46.19 44.06 2jtc s LEU 86 CO -0.01 0.31 -0.09 0.12 0.02 0.00 0.00 176.35 176.71 2jtc s PHE 87 N -1.06 1.19 -0.30 0.29 5.36 -1.26 -1.41 117.98 120.79 2jtc s PHE 87 Ca 0.19 -0.43 -0.05 0.00 -0.96 0.00 0.00 56.93 55.68 2jtc s PHE 87 Cb -0.12 -0.93 0.03 0.00 -0.34 0.00 0.00 43.02 41.66 2jtc s PHE 87 CO 0.09 -0.27 0.05 0.00 -1.46 0.00 0.00 175.22 173.63 2jtc s ALA 88 N 0.86 2.95 -0.43 11.12 0.00 0.34 -4.95 121.76 131.65 2jtc s ALA 88 Ca -0.11 -1.62 -0.05 0.00 0.00 0.00 0.00 51.96 50.17 2jtc s ALA 88 Cb -0.15 -2.08 -0.14 0.00 0.00 0.00 0.00 23.12 20.75 2jtc s ALA 88 CO 0.01 -1.13 2.56 0.00 0.00 0.00 0.00 175.76 177.20 2jtc n ALA 89 N 4.77 5.06 0.11 0.00 0.00 -1.26 -0.51 120.51 128.67 2jtc n ALA 89 Ca -0.14 -1.72 -0.14 0.00 0.00 0.00 0.00 53.44 51.44 2jtc n ALA 89 Cb 0.46 -2.61 -0.07 0.00 0.00 0.00 0.00 19.45 17.23 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 2.69 0.20 -1.57 0.00 2.04 -1.87 0.31 117.51 119.31 2jtc h ILE 90 Ca 0.32 0.00 0.46 0.00 1.00 0.00 0.00 64.86 66.63 2jtc h ILE 90 Cb 0.72 0.20 -0.06 0.00 -0.74 0.00 0.00 36.82 36.94 2jtc h ILE 90 CO 0.79 0.00 1.15 0.77 0.00 0.00 0.00 178.15 180.86 2jtc h SER 91 N -0.62 0.00 -0.50 1.72 4.64 -1.69 1.74 113.55 118.84 2jtc h SER 91 Ca 0.03 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.04 2jtc h SER 91 Cb 0.65 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 62.55 2jtc h SER 91 CO -0.24 0.00 -0.13 0.35 -0.87 0.00 0.00 176.83 175.95 2jtc n THR 92 N -4.01 2.67 -2.27 2.95 -2.24 -0.01 -3.80 114.28 107.58 2jtc n THR 92 Ca 0.35 -3.08 -0.30 0.00 -2.27 0.00 0.00 64.05 58.75 2jtc n THR 92 Cb 1.64 -0.57 -0.01 0.00 -2.10 0.00 0.00 70.33 69.29 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 -3.39 3.69 -0.75 -0.78 1.81 0.59 -4.82 118.95 115.29 2jtc s ARG 93 Ca 0.48 0.65 0.02 0.00 -1.72 0.00 0.00 55.73 55.16 2jtc s ARG 93 Cb 0.42 -2.19 0.18 0.00 -0.45 0.00 0.00 34.95 32.91 2jtc s ARG 93 CO 0.00 -0.36 0.58 -0.65 -0.68 0.00 0.00 175.30 174.19 2jtc s GLN 94 N -4.68 2.73 -1.01 3.54 -1.52 -1.26 -2.95 119.66 114.52 2jtc s GLN 94 Ca 0.54 -3.22 -0.22 0.00 -1.95 0.00 0.00 55.36 50.51 2jtc s GLN 94 Cb -0.11 -3.63 0.06 0.00 -0.22 0.00 0.00 33.01 29.12 2jtc s GLN 94 CO 0.44 -1.26 1.40 0.71 -0.25 0.00 0.00 175.29 176.34 2jtc s TYR 95 N -1.24 2.62 -0.98 0.91 2.02 0.40 -4.92 117.35 116.17 2jtc s TYR 95 Ca 0.25 -0.93 -0.23 0.00 -0.37 0.00 0.00 57.07 55.78 2jtc s TYR 95 Cb -0.08 -4.63 0.04 0.00 -0.40 0.00 0.00 41.96 36.88 2jtc s TYR 95 CO -0.13 -1.87 1.50 1.21 -1.57 0.00 0.00 175.55 174.69 2jtc s ASN 96 N 4.76 6.31 0.00 2.29 2.47 -1.26 -4.56 114.94 124.95 2jtc s ASN 96 Ca 0.44 -1.27 0.00 0.00 0.42 0.00 0.00 52.86 52.45 2jtc s ASN 96 Cb -0.01 -2.57 0.01 0.00 -1.45 0.00 0.00 41.25 37.23 2jtc s ASN 96 CO -0.10 -1.68 0.91 0.79 -3.72 0.00 0.00 177.10 173.30 2jtc n TRP 97 N 9.53 0.00 0.28 0.43 7.02 -1.26 0.57 117.44 134.00 2jtc n TRP 97 Ca 0.31 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.91 2jtc n TRP 97 Cb 0.50 -0.41 0.05 0.00 -2.42 0.00 0.00 31.31 29.04 2jtc n TRP 97 CO 0.00 0.00 0.00 -0.97 -2.02 0.00 0.00 177.69 174.70 2jtc h ASN 98 N 0.00 0.00 0.01 -0.99 -1.24 -2.01 -3.33 115.58 108.01 2jtc h ASN 98 Ca 0.00 -0.09 -0.37 0.00 0.71 0.00 0.00 56.30 56.55 2jtc h ASN 98 Cb 0.00 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 38.98 2jtc h ASN 98 CO 0.00 0.05 -2.38 0.59 -1.29 0.00 0.00 177.43 174.39 2jtc n ASN 99 N -2.47 0.27 -3.52 1.15 4.13 0.19 -4.57 115.26 110.45 2jtc n ASN 99 Ca 0.01 -0.01 -0.38 0.00 1.68 0.00 0.00 54.58 55.89 2jtc n ASN 99 Cb 0.51 0.79 -0.03 0.00 -1.54 0.00 0.00 39.78 39.51 2jtc n ASN 99 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 2jtc n ILE 100 N -2.82 2.58 -1.40 2.41 5.41 0.26 -4.54 119.36 121.25 2jtc n ILE 100 Ca -0.34 -1.99 -0.39 0.00 1.00 0.00 0.00 62.75 61.03 2jtc n ILE 100 Cb 1.14 -2.38 0.02 0.00 -0.71 0.00 0.00 39.64 37.71 2jtc n ILE 100 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2jtc n LEU 101 N 6.06 -0.71 0.18 1.39 4.77 -1.26 -4.85 117.00 122.57 2jtc n LEU 101 Ca 0.52 0.75 0.07 0.00 -0.03 0.00 0.00 56.01 57.32 2jtc n LEU 101 Cb 0.32 -1.06 0.17 0.00 -2.33 0.00 0.00 43.42 40.52 2jtc n LEU 101 CO 0.92 -3.54 0.65 1.55 -1.33 0.00 0.00 177.39 175.64 2jtc h PRO 102 N 0.27 0.00 -3.75 3.23 0.13 -1.84 -3.44 132.00 126.60 2jtc h PRO 102 Ca -0.43 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.35 2jtc h PRO 102 Cb 1.42 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 32.21 2jtc h PRO 102 CO 0.46 0.28 -0.75 -0.08 -0.23 0.00 0.00 178.00 177.68 2jtc s THR 103 N -3.18 0.20 0.03 1.56 -1.32 -1.08 0.26 115.64 112.11 2jtc s THR 103 Ca 0.04 0.06 0.07 0.00 -1.21 0.00 0.00 61.69 60.66 2jtc s THR 103 Cb 0.07 -0.28 -0.03 0.00 -1.51 0.00 0.00 72.50 70.75 2jtc s THR 103 CO 0.70 0.14 -0.20 -0.31 -2.21 0.00 0.00 174.62 172.75 2jtc s TYR 104 N 0.96 2.52 -0.35 9.09 2.02 -1.24 -4.93 117.35 125.43 2jtc s TYR 104 Ca -0.10 -0.28 0.21 0.00 -0.37 0.00 0.00 57.07 56.53 2jtc s TYR 104 Cb -0.13 -1.47 -0.29 0.00 -0.40 0.00 0.00 41.96 39.67 2jtc s TYR 104 CO -0.01 0.21 0.61 -1.13 -1.57 0.00 0.00 175.55 173.65 2jtc n SER 105 N 1.70 0.42 0.00 2.29 3.41 -1.26 -4.96 113.62 115.21 2jtc n SER 105 Ca -0.16 -0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.11 2jtc n SER 105 Cb 0.52 1.64 0.00 0.00 -0.26 0.00 0.00 64.21 66.12 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 1.36 0.39 0.00 5.00 0.00 -1.26 -4.89 105.19 105.80 2jtc n GLY 106 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2jtc n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jtc n ARG 107 N -2.00 1.87 -0.71 1.61 1.74 -1.26 -4.91 116.66 113.00 2jtc n ARG 107 Ca 0.00 -1.21 -0.30 0.00 -0.77 0.00 0.00 57.85 55.57 2jtc n ARG 107 Cb 0.00 -1.00 0.26 0.00 -1.02 0.00 0.00 32.46 30.71 2jtc n ARG 107 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2jtc s GLU 108 N -0.72 -1.97 1.04 5.56 8.01 -1.26 -4.99 118.70 124.38 2jtc s GLU 108 Ca 0.00 0.11 -0.13 0.00 0.01 0.00 0.00 54.97 54.96 2jtc s GLU 108 Cb 0.00 -1.49 0.21 0.00 -4.31 0.00 0.00 34.13 28.54 2jtc s GLU 108 CO 0.00 -4.24 1.09 -1.54 0.01 0.00 0.00 175.26 170.58 2jtc s SER 109 N -3.42 2.23 0.08 -0.19 1.04 -1.26 -4.89 113.70 107.28 2jtc s SER 109 Ca 0.69 1.11 -0.11 0.00 0.48 0.00 0.00 55.95 58.13 2jtc s SER 109 Cb -0.13 -1.74 -0.22 0.00 0.10 0.00 0.00 66.02 64.04 2jtc s SER 109 CO 0.58 -3.37 1.19 0.78 0.98 0.00 0.00 173.24 173.40 2jtc h ASN 110 N -2.06 0.78 -0.03 7.02 4.21 -1.98 -2.82 115.58 120.70 2jtc h ASN 110 Ca -0.54 -0.66 0.03 0.00 1.21 0.00 0.00 56.30 56.34 2jtc h ASN 110 Cb 1.33 -0.24 -0.06 0.00 -1.12 0.00 0.00 38.32 38.23 2jtc h ASN 110 CO 0.55 1.47 -0.39 0.58 -1.29 0.00 0.00 177.43 178.34 2jtc h VAL 111 N 0.30 0.19 -0.81 2.81 2.07 -1.99 1.21 116.25 120.02 2jtc h VAL 111 Ca -0.14 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 2jtc h VAL 111 Cb 1.76 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.67 2jtc h VAL 111 CO 0.21 0.00 0.39 1.56 0.02 0.00 0.00 177.57 179.74 2jtc h GLN 112 N -0.53 1.17 -0.77 1.57 7.50 -1.80 -1.96 115.11 120.30 2jtc h GLN 112 Ca 0.06 -0.18 -0.03 0.00 0.50 0.00 0.00 58.65 59.00 2jtc h GLN 112 Cb 0.63 -0.21 -0.04 0.00 0.05 0.00 0.00 27.48 27.91 2jtc h GLN 112 CO -0.33 0.91 0.35 0.87 -1.50 0.00 0.00 178.83 179.13 2jtc h LYS 113 N 1.16 1.11 -0.67 1.46 1.57 -0.94 -2.31 116.57 117.95 2jtc h LYS 113 Ca 0.28 -0.17 0.01 0.00 -1.87 0.00 0.00 60.65 58.90 2jtc h LYS 113 Cb 0.13 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 2jtc h LYS 113 CO -0.03 0.87 0.44 1.98 -0.57 0.00 0.00 179.45 182.14 2jtc h MET 114 N 1.10 0.88 0.12 3.15 4.05 0.22 0.20 114.93 124.64 2jtc h MET 114 Ca 0.26 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.63 2jtc h MET 114 Cb 0.14 -0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 30.74 2jtc h MET 114 CO -0.03 0.58 -0.12 0.00 0.23 0.00 0.00 176.91 177.57 2jtc h ALA 115 N 1.25 -0.23 -0.38 0.39 0.00 -0.85 -1.34 119.26 118.11 2jtc h ALA 115 Ca 0.25 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.97 2jtc h ALA 115 Cb -0.10 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2jtc h ALA 115 CO -0.06 -0.65 -0.36 0.97 0.00 0.00 0.00 179.25 179.16 2jtc h ILE 116 N -0.26 1.28 -0.85 0.00 6.09 -1.37 -2.70 117.51 119.69 2jtc h ILE 116 Ca 0.00 -1.53 0.05 0.00 -1.37 0.00 0.00 64.86 62.02 2jtc h ILE 116 Cb 0.25 1.36 -0.06 0.00 0.47 0.00 0.00 36.82 38.84 2jtc h ILE 116 CO -0.03 0.51 0.53 0.77 -3.07 0.00 0.00 178.15 176.87 2jtc h SER 117 N 0.73 0.85 -0.36 2.19 4.64 -0.76 -0.09 113.55 120.76 2jtc h SER 117 Ca 0.07 0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 61.26 2jtc h SER 117 Cb 0.94 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.85 2jtc h SER 117 CO 0.09 0.56 -0.29 -0.08 -0.87 0.00 0.00 176.83 176.23 2jtc h GLU 118 N 0.99 0.88 -0.09 4.77 4.81 -1.19 0.46 114.58 125.22 2jtc h GLU 118 Ca 0.36 -0.41 0.03 0.00 -0.13 0.00 0.00 59.36 59.22 2jtc h GLU 118 Cb 0.13 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 2jtc h GLU 118 CO -0.16 1.05 -0.09 1.25 -0.73 0.00 0.00 179.01 180.33 2jtc h LEU 119 N 0.74 -0.29 -0.52 1.64 5.85 -0.94 2.07 115.31 123.87 2jtc h LEU 119 Ca 0.08 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.87 2jtc h LEU 119 Cb 0.86 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 42.00 2jtc h LEU 119 CO 0.08 -0.13 0.34 0.24 -0.34 0.00 0.00 178.44 178.62 2jtc h MET 120 N -0.12 0.66 -0.46 1.25 2.86 -0.83 1.80 114.93 120.10 2jtc h MET 120 Ca 0.07 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.61 2jtc h MET 120 Cb 0.21 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 2jtc h MET 120 CO -0.16 0.44 0.03 0.00 1.06 0.00 0.00 176.91 178.28 2jtc h ALA 121 N 1.20 1.21 0.13 6.32 0.00 0.15 2.41 119.26 130.67 2jtc h ALA 121 Ca 0.19 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2jtc h ALA 121 Cb -0.06 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2jtc h ALA 121 CO -0.05 0.53 -0.06 -0.44 0.00 0.00 0.00 179.25 179.22 2jtc h ASP 122 N 0.69 -0.15 0.50 0.00 3.32 0.47 -0.49 116.42 120.77 2jtc h ASP 122 Ca 0.14 -0.35 -0.02 0.00 0.02 0.00 0.00 57.03 56.82 2jtc h ASP 122 Cb 0.38 0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.97 2jtc h ASP 122 CO 0.01 0.31 -0.24 0.58 -1.72 0.00 0.00 179.24 178.18 2jtc h VAL 123 N -0.65 0.37 -0.72 -1.35 2.07 0.30 0.54 116.25 116.82 2jtc h VAL 123 Ca -0.02 -0.41 0.15 0.00 0.82 0.00 0.00 66.70 67.24 2jtc h VAL 123 Cb 0.49 0.51 -0.13 0.00 -1.52 0.00 0.00 31.29 30.64 2jtc h VAL 123 CO 0.03 0.05 -0.10 1.23 0.02 0.00 0.00 177.57 178.80 2jtc h GLY 124 N -0.97 0.64 0.81 2.17 0.00 0.40 0.58 103.07 106.69 2jtc h GLY 124 Ca -0.07 0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.41 2jtc h GLY 124 CO 0.11 -0.28 -0.32 -2.22 0.00 0.00 0.00 176.54 173.84 2jtc h ILE 125 N 0.04 0.21 -1.28 2.60 2.04 -0.98 0.52 117.51 120.65 2jtc h ILE 125 Ca 0.37 -0.25 0.37 0.00 1.00 0.00 0.00 64.86 66.35 2jtc h ILE 125 Cb 0.60 0.26 -0.05 0.00 -0.74 0.00 0.00 36.82 36.89 2jtc h ILE 125 CO -0.70 0.02 0.92 0.77 0.00 0.00 0.00 178.15 179.17 2jtc h SER 126 N -1.10 0.01 -0.97 1.72 4.64 0.18 0.81 113.55 118.84 2jtc h SER 126 Ca -0.09 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.61 2jtc h SER 126 Cb 0.73 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 62.52 2jtc h SER 126 CO 0.15 0.00 0.73 1.33 -0.87 0.00 0.00 176.83 178.17 2jtc n VAL 127 N -4.16 3.46 -4.09 0.95 0.24 0.18 -4.72 118.33 110.19 2jtc n VAL 127 Ca 0.28 -2.70 -0.29 0.00 -2.04 0.00 0.00 64.34 59.58 2jtc n VAL 127 Cb 1.34 -0.95 -0.07 0.00 -1.47 0.00 0.00 33.84 32.68 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 -0.98 0.20 -4.69 -1.34 8.00 0.28 -3.79 116.55 114.24 2jtc n ASP 128 Ca 0.61 -1.12 -0.42 0.00 0.71 0.00 0.00 54.79 54.56 2jtc n ASP 128 Cb 0.96 -1.39 -0.03 0.00 -0.02 0.00 0.00 41.12 40.64 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 -6.89 4.21 -0.15 -1.24 1.75 0.18 -4.43 119.30 112.74 2jtc s MET 129 Ca 0.06 2.28 -0.29 0.00 -1.25 0.00 0.00 55.69 56.49 2jtc s MET 129 Cb -0.04 -3.55 -0.02 0.00 2.84 0.00 0.00 34.83 34.07 2jtc s MET 129 CO 0.87 -0.69 1.22 0.34 -0.65 0.00 0.00 175.02 176.11 2jtc s ASP 130 N 2.20 6.99 -0.29 1.11 -1.08 0.53 -4.87 116.67 121.25 2jtc s ASP 130 Ca 0.72 1.68 -0.10 0.00 -0.52 0.00 0.00 52.55 54.33 2jtc s ASP 130 Cb -0.39 -2.54 -0.02 0.00 -1.46 0.00 0.00 42.92 38.50 2jtc s ASP 130 CO 0.31 -0.71 0.16 -0.31 0.52 0.00 0.00 175.17 175.14 2jtc s TYR 131 N 3.16 3.17 0.00 -5.34 2.02 -1.26 -2.16 117.35 116.94 2jtc s TYR 131 Ca 0.54 -0.31 0.00 0.00 -0.37 0.00 0.00 57.07 56.93 2jtc s TYR 131 Cb -0.22 -2.35 0.00 0.00 -0.40 0.00 0.00 41.96 38.99 2jtc s TYR 131 CO 0.15 -0.34 0.00 0.41 -1.57 0.00 0.00 175.55 174.20 2jtc n GLY 132 N 5.01 3.47 0.25 0.71 0.00 -1.26 -4.80 105.19 108.56 2jtc n GLY 132 Ca -0.14 -1.14 0.08 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 0.00 -6.20 1.61 0.13 -1.91 -1.85 132.00 123.78 2jtc h PRO 133 Ca 0.00 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.45 2jtc h PRO 133 Cb 0.00 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 30.95 2jtc h PRO 133 CO 0.00 0.10 -0.69 -1.12 -0.23 0.00 0.00 178.00 176.06 2jtc s SER 134 N -6.87 4.67 -0.23 1.44 0.01 -1.26 -4.05 113.70 107.42 2jtc s SER 134 Ca -0.04 -0.06 0.01 0.00 1.31 0.00 0.00 55.95 57.16 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 0.66 0.33 -0.06 -0.44 0.41 0.00 0.00 173.24 174.14 2jtc s SER 135 N -1.08 3.77 -0.00 2.44 0.01 -1.26 -4.61 113.70 112.97 2jtc s SER 135 Ca 0.15 -1.12 0.02 0.00 1.31 0.00 0.00 55.95 56.30 2jtc s SER 135 Cb -0.11 -1.19 -0.04 0.00 0.21 0.00 0.00 66.02 64.89 2jtc s SER 135 CO 0.04 -0.22 -0.02 -0.83 0.41 0.00 0.00 173.24 172.62 2jtc s GLY 136 N 1.39 1.83 0.00 3.44 0.00 -0.92 -3.59 107.32 109.47 2jtc s GLY 136 Ca -0.05 -0.97 0.00 0.00 0.00 0.00 0.00 44.72 43.70 2jtc s GLY 136 CO -0.06 -0.84 0.00 -1.26 0.00 0.00 0.00 173.10 170.94 2jtc n SER 137 N 1.47 1.82 -0.09 1.64 2.88 -1.26 0.20 113.62 120.28 2jtc n SER 137 Ca -0.15 -0.40 -0.12 0.00 -1.33 0.00 0.00 58.87 56.87 2jtc n SER 137 Cb 0.53 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.93 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 0.63 0.00 -1.46 0.00 -1.25 -3.10 120.51 112.33 2jtc n ALA 138 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.94 2jtc n ALA 138 Cb 0.00 -0.18 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 0.38 0.23 0.00 0.00 -1.26 -2.05 105.19 104.02 2jtc n GLY 139 Ca -0.19 -1.36 -0.02 0.00 0.00 0.00 0.00 46.02 44.45 2jtc n GLY 139 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2jtc h SER 140 N 0.00 -0.55 -0.81 1.61 0.02 -1.94 0.12 113.55 112.01 2jtc h SER 140 Ca 0.00 0.17 0.19 0.00 -0.84 0.00 0.00 61.79 61.31 2jtc h SER 140 Cb 0.00 0.36 -0.14 0.00 0.14 0.00 0.00 62.40 62.76 2jtc h SER 140 CO 0.00 -0.19 0.02 0.77 -1.14 0.00 0.00 176.83 176.29 2jtc h SER 141 N -0.01 -0.35 0.36 3.07 4.64 -1.97 1.01 113.55 120.30 2jtc h SER 141 Ca 0.27 0.21 -0.32 0.00 -0.47 0.00 0.00 61.79 61.47 2jtc h SER 141 Cb 0.42 0.36 0.02 0.00 -0.31 0.00 0.00 62.40 62.89 2jtc h SER 141 CO -0.58 -0.20 -1.48 0.03 -0.87 0.00 0.00 176.83 173.73 2jtc h ARG 142 N 0.10 0.42 0.25 4.77 2.47 -1.69 -2.99 114.38 117.72 2jtc h ARG 142 Ca 0.45 -0.72 -0.01 0.00 -1.26 0.00 0.00 59.98 58.44 2jtc h ARG 142 Cb 0.82 0.27 0.00 0.00 -1.65 0.00 0.00 29.97 29.42 2jtc h ARG 142 CO -0.71 1.33 -0.12 0.28 0.56 0.00 0.00 179.97 181.32 2jtc h VAL 143 N 0.12 0.78 -0.64 2.04 2.07 0.10 1.70 116.25 122.42 2jtc h VAL 143 Ca -0.24 -0.69 0.08 0.00 0.82 0.00 0.00 66.70 66.66 2jtc h VAL 143 Cb 2.10 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 32.98 2jtc h VAL 143 CO 0.23 0.14 0.43 0.06 0.02 0.00 0.00 177.57 178.45 2jtc h GLN 144 N -0.72 0.54 0.04 1.57 -0.00 0.82 0.61 115.11 117.96 2jtc h GLN 144 Ca -0.03 -0.03 -0.00 0.00 -0.00 0.00 0.00 58.65 58.58 2jtc h GLN 144 Cb 0.49 -0.12 0.00 0.00 -0.00 0.00 0.00 27.48 27.85 2jtc h GLN 144 CO 0.06 0.36 -0.02 -0.09 -0.00 0.00 0.00 178.83 179.14 2jtc h ARG 145 N 0.56 -0.05 -0.52 0.06 1.12 -1.35 -3.15 114.38 111.06 2jtc h ARG 145 Ca 0.29 0.00 0.04 0.00 -1.11 0.00 0.00 59.98 59.20 2jtc h ARG 145 Cb 0.40 0.01 -0.03 0.00 -0.01 0.00 0.00 29.97 30.34 2jtc h ARG 145 CO -0.09 0.60 0.34 0.00 -3.11 0.00 0.00 179.97 177.71 2jtc h ALA 146 N -0.19 1.80 -0.06 2.80 0.00 0.30 0.99 119.26 124.90 2jtc h ALA 146 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2jtc h ALA 146 Cb 0.67 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 2jtc h ALA 146 CO 0.01 0.13 0.03 -0.07 0.00 0.00 0.00 179.25 179.35 2jtc h LEU 147 N 0.54 0.06 0.12 0.00 3.38 0.15 0.52 115.31 120.09 2jtc h LEU 147 Ca 0.21 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.88 2jtc h LEU 147 Cb 0.17 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2jtc h LEU 147 CO -0.06 0.04 -1.60 0.11 0.09 0.00 0.00 178.44 177.02 2jtc h LYS 148 N 0.07 0.25 0.11 1.13 1.57 -1.38 0.99 116.57 119.32 2jtc h LYS 148 Ca 0.02 -0.43 -0.01 0.00 -1.87 0.00 0.00 60.65 58.37 2jtc h LYS 148 Cb -0.00 0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2jtc h LYS 148 CO -0.01 1.21 -0.05 0.93 -0.57 0.00 0.00 179.45 180.95 2jtc h GLU 149 N -0.20 -0.14 0.00 3.15 5.08 0.96 -1.93 114.58 121.49 2jtc h GLU 149 Ca -0.35 0.01 -0.18 0.00 -1.00 0.00 0.00 59.36 57.84 2jtc h GLU 149 Cb 1.84 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 31.10 2jtc h GLU 149 CO 0.06 0.28 -1.02 -0.91 -1.00 0.00 0.00 179.01 176.43 2jtc h ASN 150 N -0.61 0.00 0.82 1.42 -0.26 -1.16 -3.35 115.58 112.43 2jtc h ASN 150 Ca -0.01 -0.56 0.00 0.00 -0.56 0.00 0.00 56.30 55.16 2jtc h ASN 150 Cb 0.48 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.74 2jtc h ASN 150 CO 0.02 1.38 -0.83 0.49 -1.06 0.00 0.00 177.43 177.43 2jtc n PHE 151 N -4.47 0.63 -2.95 1.19 3.72 -0.01 -0.44 117.46 115.13 2jtc n PHE 151 Ca -0.27 0.18 -0.14 0.00 -0.05 0.00 0.00 57.45 57.17 2jtc n PHE 151 Cb 0.63 -0.71 0.04 0.00 -0.94 0.00 0.00 39.48 38.49 2jtc n PHE 151 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jtc n GLY 152 N 1.29 0.02 3.59 1.37 0.00 0.16 -4.42 105.19 107.19 2jtc n GLY 152 Ca 0.02 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 2jtc n GLY 152 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jtc s TYR 153 N -3.07 1.65 0.37 1.61 1.51 0.29 -4.83 117.35 114.89 2jtc s TYR 153 Ca 0.27 1.36 -0.24 0.00 -1.01 0.00 0.00 57.07 57.45 2jtc s TYR 153 Cb -0.12 -3.18 -0.13 0.00 -0.11 0.00 0.00 41.96 38.42 2jtc s TYR 153 CO 0.34 -3.26 0.69 -1.71 -1.11 0.00 0.00 175.55 170.50 2jtc n ASN 154 N -4.50 -0.25 0.33 2.29 2.85 0.55 -4.61 115.26 111.92 2jtc n ASN 154 Ca 0.06 1.00 0.15 0.00 -0.11 0.00 0.00 54.58 55.68 2jtc n ASN 154 Cb 0.54 -1.16 0.81 0.00 1.24 0.00 0.00 39.78 41.21 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 1.13 0.00 0.00 1.20 1.08 -1.88 0.68 115.11 117.32 2jtc h GLN 155 Ca -0.39 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.81 2jtc h GLN 155 Cb 1.38 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.81 2jtc h GLN 155 CO 0.54 0.00 0.19 0.66 -0.95 0.00 0.00 178.83 179.27 2jtc h SER 156 N 0.00 0.00 -2.50 1.46 4.64 -1.84 -3.41 113.55 111.91 2jtc h SER 156 Ca 0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 2jtc h SER 156 Cb 0.69 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.79 2jtc h SER 156 CO -0.00 0.00 1.16 -0.69 -0.87 0.00 0.00 176.83 176.43 2jtc s VAL 157 N -3.44 3.28 0.10 0.95 1.01 0.23 -4.56 120.40 117.98 2jtc s VAL 157 Ca -0.02 0.36 -0.10 0.00 0.00 0.00 0.00 61.98 62.22 2jtc s VAL 157 Cb 0.05 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 33.20 2jtc s VAL 157 CO 0.16 -0.03 0.23 -1.38 0.00 0.00 0.00 175.10 174.07 2jtc s HIS 158 N 4.18 0.10 0.11 5.22 -3.43 -1.17 -4.95 115.29 115.35 2jtc s HIS 158 Ca 0.81 -0.51 0.02 0.00 -0.80 0.00 0.00 55.06 54.58 2jtc s HIS 158 Cb -0.38 -0.00 -0.04 0.00 -1.43 0.00 0.00 32.58 30.73 2jtc s HIS 158 CO 0.35 -0.58 0.18 -1.14 -2.00 0.00 0.00 174.74 171.56 2jtc s GLN 159 N -3.86 3.19 -0.02 -0.38 0.74 -1.26 -1.13 119.66 116.96 2jtc s GLN 159 Ca 0.05 -0.63 0.03 0.00 0.05 0.00 0.00 55.36 54.86 2jtc s GLN 159 Cb 0.04 -2.86 -0.00 0.00 1.10 0.00 0.00 33.01 31.28 2jtc s GLN 159 CO -0.11 0.55 -0.11 0.96 -0.55 0.00 0.00 175.29 176.04 2jtc s ILE 160 N -1.59 0.87 -0.44 -2.34 -4.36 0.84 -4.88 121.20 109.29 2jtc s ILE 160 Ca 0.33 -0.45 -0.10 0.00 -0.26 0.00 0.00 60.65 60.17 2jtc s ILE 160 Cb -0.12 -0.74 0.09 0.00 1.25 0.00 0.00 42.46 42.94 2jtc s ILE 160 CO 0.26 0.25 0.30 0.20 0.24 0.00 0.00 174.94 176.19 2jtc s ASN 161 N -0.09 5.70 0.55 4.36 0.02 -1.26 0.25 114.94 124.47 2jtc s ASN 161 Ca 0.01 -1.62 0.37 0.00 -1.02 0.00 0.00 52.86 50.60 2jtc s ASN 161 Cb -0.06 -2.01 1.55 0.00 0.02 0.00 0.00 41.25 40.75 2jtc s ASN 161 CO -0.00 -0.60 1.79 -0.09 0.02 0.00 0.00 177.10 178.22 2jtc h ARG 162 N 8.45 0.00 0.00 -0.60 9.65 -1.73 1.27 114.38 131.42 2jtc h ARG 162 Ca -0.23 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.64 2jtc h ARG 162 Cb 1.08 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.66 2jtc h ARG 162 CO 0.80 0.00 -0.04 0.78 2.80 0.00 0.00 179.97 184.31 2jtc h GLY 163 N 0.00 0.00 -1.12 2.80 0.00 -1.92 -2.25 103.07 100.58 2jtc h GLY 163 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.90 2jtc h GLY 163 CO -0.01 0.00 -0.23 1.22 0.00 0.00 0.00 176.54 177.52 2jtc n ASP 164 N -3.44 2.11 -4.78 0.19 9.92 0.44 -4.99 116.55 115.99 2jtc n ASP 164 Ca -0.02 -1.56 -0.31 0.00 -0.53 0.00 0.00 54.79 52.37 2jtc n ASP 164 Cb 0.16 0.29 -0.06 0.00 -0.64 0.00 0.00 41.12 40.86 2jtc n ASP 164 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2jtc s PHE 165 N -1.92 1.88 0.05 1.24 0.40 -0.85 -5.04 117.98 113.74 2jtc s PHE 165 Ca 0.18 -0.90 0.04 0.00 -0.60 0.00 0.00 56.93 55.64 2jtc s PHE 165 Cb 0.15 -1.69 -0.04 0.00 0.51 0.00 0.00 43.02 41.95 2jtc s PHE 165 CO 0.38 0.11 -0.02 -1.54 0.70 0.00 0.00 175.22 174.85 2jtc s SER 166 N -3.95 4.95 0.33 1.36 1.04 -1.26 -4.89 113.70 111.28 2jtc s SER 166 Ca 0.14 -0.13 0.08 0.00 0.48 0.00 0.00 55.95 56.52 2jtc s SER 166 Cb 0.01 -1.20 0.94 0.00 0.10 0.00 0.00 66.02 65.88 2jtc s SER 166 CO 0.08 0.23 1.58 0.50 0.98 0.00 0.00 173.24 176.60 2jtc h LYS 167 N 3.91 0.02 0.51 4.02 3.64 -1.97 1.76 116.57 128.45 2jtc h LYS 167 Ca -0.48 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 58.87 2jtc h LYS 167 Cb 1.17 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 2jtc h LYS 167 CO 0.58 0.01 -0.24 1.96 -2.27 0.00 0.00 179.45 179.48 2jtc h GLN 168 N 0.02 -0.65 0.00 1.90 7.50 -2.00 -1.74 115.11 120.13 2jtc h GLN 168 Ca 0.68 0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.87 2jtc h GLN 168 Cb 1.55 0.15 0.00 0.00 0.05 0.00 0.00 27.48 29.23 2jtc h GLN 168 CO -0.86 -0.35 0.00 -0.44 -1.50 0.00 0.00 178.83 175.67 2jtc h ASP 169 N -0.92 0.00 0.05 1.46 5.19 -1.24 -2.54 116.42 118.43 2jtc h ASP 169 Ca -0.07 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 56.10 2jtc h ASP 169 Cb 0.60 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.13 2jtc h ASP 169 CO 0.11 0.00 -0.94 -0.25 -3.12 0.00 0.00 179.24 175.05 2jtc h TRP 170 N 0.00 0.93 -0.14 4.55 -0.00 0.29 -3.10 115.95 118.48 2jtc h TRP 170 Ca 0.00 -0.47 -0.15 0.00 -0.00 0.00 0.00 58.89 58.27 2jtc h TRP 170 Cb 0.33 -0.12 -0.01 0.00 -0.00 0.00 0.00 29.16 29.37 2jtc h TRP 170 CO 0.00 1.30 -0.55 0.93 -0.00 0.00 0.00 178.44 180.12 2jtc h GLU 171 N 0.39 0.42 -0.45 2.65 5.08 -0.91 -2.91 114.58 118.86 2jtc h GLU 171 Ca -0.09 -0.26 0.06 0.00 -1.00 0.00 0.00 59.36 58.07 2jtc h GLU 171 Cb 1.57 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.80 2jtc h GLU 171 CO 0.18 0.86 0.13 0.00 -1.00 0.00 0.00 179.01 179.18 2jtc h ALA 172 N 1.09 0.52 -0.60 3.43 0.00 -1.48 1.56 119.26 123.77 2jtc h ALA 172 Ca 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2jtc h ALA 172 Cb 1.07 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 2jtc h ALA 172 CO 0.10 -0.27 0.35 1.96 0.00 0.00 0.00 179.25 181.38 2jtc h GLN 173 N 0.28 0.83 0.23 0.00 1.08 -1.46 -1.04 115.11 115.02 2jtc h GLN 173 Ca 0.21 -0.09 -0.01 0.00 -1.45 0.00 0.00 58.65 57.32 2jtc h GLN 173 Cb 0.24 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 2jtc h GLN 173 CO -0.25 0.62 -0.11 0.82 -0.95 0.00 0.00 178.83 178.96 2jtc h ILE 174 N 0.82 0.00 -0.84 2.54 2.04 -1.04 -3.03 117.51 118.00 2jtc h ILE 174 Ca 0.21 -0.74 0.18 0.00 1.00 0.00 0.00 64.86 65.52 2jtc h ILE 174 Cb 0.01 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 35.98 2jtc h ILE 174 CO -0.04 0.00 0.35 -0.78 0.00 0.00 0.00 178.15 177.69 2jtc h ASP 175 N -1.04 0.31 -0.72 1.72 1.82 0.21 0.89 116.42 119.61 2jtc h ASP 175 Ca -0.03 0.13 0.13 0.00 -0.39 0.00 0.00 57.03 56.87 2jtc h ASP 175 Cb 0.23 0.11 -0.09 0.00 0.68 0.00 0.00 39.33 40.27 2jtc h ASP 175 CO 0.05 0.05 0.28 0.50 -1.61 0.00 0.00 179.24 178.52 2jtc h LYS 176 N 0.43 0.43 0.39 0.28 3.64 -1.28 2.41 116.57 122.87 2jtc h LYS 176 Ca 0.50 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.84 2jtc h LYS 176 Cb 0.86 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.58 2jtc h LYS 176 CO -0.48 0.29 -0.23 0.93 -2.27 0.00 0.00 179.45 177.69 2jtc h GLU 177 N 0.45 -0.57 0.00 1.90 4.39 0.86 -2.01 114.58 119.60 2jtc h GLU 177 Ca 0.38 0.04 -0.04 0.00 0.34 0.00 0.00 59.36 60.08 2jtc h GLU 177 Cb 0.55 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.32 2jtc h GLU 177 CO -0.37 -0.38 -0.20 -0.07 -1.16 0.00 0.00 179.01 176.83 2jtc h LEU 178 N -0.59 0.00 -0.78 1.33 3.38 0.57 0.70 115.31 119.92 2jtc h LEU 178 Ca -0.04 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.07 2jtc h LEU 178 Cb 0.48 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.14 2jtc h LEU 178 CO 0.05 0.20 0.34 0.77 0.09 0.00 0.00 178.44 179.89 2jtc h SER 179 N 0.00 0.36 -0.74 -0.43 4.64 0.48 1.10 113.55 118.96 2jtc h SER 179 Ca -0.00 0.10 -0.41 0.00 -0.47 0.00 0.00 61.79 61.01 2jtc h SER 179 Cb 0.47 0.06 -0.23 0.00 -0.31 0.00 0.00 62.40 62.39 2jtc h SER 179 CO 0.03 0.15 0.52 0.00 -0.87 0.00 0.00 176.83 176.66 2jtc n GLN 180 N -4.96 2.00 -3.88 4.77 6.02 -1.02 -4.84 117.38 115.48 2jtc n GLN 180 Ca 0.15 -2.28 -0.25 0.00 -0.01 0.00 0.00 57.00 54.61 2jtc n GLN 180 Cb 0.41 -1.90 -0.01 0.00 1.02 0.00 0.00 30.24 29.77 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 -0.64 -0.77 -4.00 1.08 4.13 0.38 -4.94 115.26 110.50 2jtc n ASN 181 Ca 0.45 -0.97 -0.31 0.00 1.68 0.00 0.00 54.58 55.44 2jtc n ASN 181 Cb 1.22 -3.30 -0.16 0.00 -1.54 0.00 0.00 39.78 36.01 2jtc n ASN 181 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 2jtc s GLN 182 N -6.39 2.04 1.11 3.52 -0.21 0.24 -4.92 119.66 115.06 2jtc s GLN 182 Ca 0.03 -0.86 -0.14 0.00 0.02 0.00 0.00 55.36 54.41 2jtc s GLN 182 Cb -0.01 -2.43 0.25 0.00 1.00 0.00 0.00 33.01 31.82 2jtc s GLN 182 CO 0.87 -0.43 1.06 -1.25 -2.12 0.00 0.00 175.29 173.42 2jtc s PRO 183 N 1.39 -0.51 -0.18 2.91 0.04 -1.26 -1.09 135.00 136.30 2jtc s PRO 183 Ca -0.01 0.52 0.00 0.00 0.04 0.00 0.00 61.00 61.55 2jtc s PRO 183 Cb -0.16 -1.63 0.04 0.00 0.04 0.00 0.00 34.50 32.79 2jtc s PRO 183 CO -0.08 -3.37 -0.08 0.08 0.04 0.00 0.00 177.00 173.60 2jtc s VAL 184 N -2.75 1.35 -0.23 -0.36 1.01 0.11 -4.45 120.40 115.07 2jtc s VAL 184 Ca 0.67 -0.79 -0.29 0.00 0.00 0.00 0.00 61.98 61.58 2jtc s VAL 184 Cb -0.20 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 2jtc s VAL 184 CO 0.60 0.16 1.91 -0.47 0.00 0.00 0.00 175.10 177.29 2jtc s TYR 185 N 1.53 1.62 0.19 5.22 6.14 -0.67 -1.69 117.35 129.67 2jtc s TYR 185 Ca 0.00 0.47 0.09 0.00 0.64 0.00 0.00 57.07 58.27 2jtc s TYR 185 Cb -0.16 -4.05 -0.04 0.00 0.42 0.00 0.00 41.96 38.14 2jtc s TYR 185 CO -0.08 -3.57 -0.20 -0.47 0.64 0.00 0.00 175.55 171.87 2jtc s TYR 186 N 6.71 1.97 -0.28 4.97 6.14 0.03 0.15 117.35 137.03 2jtc s TYR 186 Ca 0.85 -0.44 -0.15 0.00 0.64 0.00 0.00 57.07 57.97 2jtc s TYR 186 Cb -0.28 -0.96 0.10 0.00 0.42 0.00 0.00 41.96 41.24 2jtc s TYR 186 CO 0.34 0.41 0.76 1.14 0.64 0.00 0.00 175.55 178.84 2jtc s GLN 187 N -2.89 0.61 -0.60 4.97 -2.07 -0.92 0.90 119.66 119.66 2jtc s GLN 187 Ca 0.19 1.11 -0.20 0.00 -1.82 0.00 0.00 55.36 54.64 2jtc s GLN 187 Cb -0.06 0.21 0.08 0.00 -1.09 0.00 0.00 33.01 32.16 2jtc s GLN 187 CO 0.08 -0.14 0.79 0.20 -1.32 0.00 0.00 175.29 174.90 2jtc s GLY 188 N 1.73 1.63 0.92 2.60 0.00 0.21 -2.56 107.32 111.85 2jtc s GLY 188 Ca -0.09 -2.00 -0.11 0.00 0.00 0.00 0.00 44.72 42.52 2jtc s GLY 188 CO -0.19 1.74 1.09 0.14 0.00 0.00 0.00 173.10 175.89 2jtc s VAL 189 N 3.17 2.57 0.00 1.40 1.01 -1.26 -2.49 120.40 124.80 2jtc s VAL 189 Ca 0.16 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.33 2jtc s VAL 189 Cb -0.21 -2.54 0.00 0.00 0.00 0.00 0.00 36.38 33.63 2jtc s VAL 189 CO 0.09 -0.24 0.00 0.61 0.00 0.00 0.00 175.10 175.56 2jtc n GLY 190 N -0.67 2.05 0.09 4.51 0.00 -0.74 -3.89 105.19 106.55 2jtc n GLY 190 Ca 0.07 0.15 -0.17 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.82 -3.37 116.57 114.56 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 0.84 0.00 -0.39 -0.57 0.00 0.00 179.45 179.33 2jtc h VAL 192 N -1.00 0.00 0.00 0.50 -1.51 -1.94 -3.48 116.25 108.82 2jtc h VAL 192 Ca -0.23 -0.22 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 2jtc h VAL 192 Cb 1.10 1.09 0.00 0.00 -2.13 0.00 0.00 31.29 31.35 2jtc h VAL 192 CO -0.14 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.81 2jtc n GLY 193 N -0.53 0.91 3.52 5.19 0.00 -1.26 -4.76 105.19 108.26 2jtc n GLY 193 Ca -0.01 -1.89 -0.43 0.00 0.00 0.00 0.00 46.02 43.70 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 1.49 -0.14 -0.02 0.00 -0.87 -1.79 107.32 106.00 2jtc s GLY 194 Ca 0.00 -1.23 -0.29 0.00 0.00 0.00 0.00 44.72 43.20 2jtc s GLY 194 CO 0.00 1.93 1.43 -1.58 0.00 0.00 0.00 173.10 174.88 2jtc s HIS 195 N 3.65 2.46 0.27 1.90 5.04 -1.04 -4.39 115.29 123.19 2jtc s HIS 195 Ca 0.29 0.67 0.09 0.00 -1.54 0.00 0.00 55.06 54.57 2jtc s HIS 195 Cb -0.13 -3.71 -0.04 0.00 0.04 0.00 0.00 32.58 28.74 2jtc s HIS 195 CO 0.19 -2.58 0.00 0.00 -2.34 0.00 0.00 174.74 170.01 2jtc s ALA 196 N 3.87 3.17 0.29 1.58 0.00 -1.26 0.65 121.76 130.07 2jtc s ALA 196 Ca 0.63 -1.66 -0.20 0.00 0.00 0.00 0.00 51.96 50.73 2jtc s ALA 196 Cb -0.26 -0.77 0.04 0.00 0.00 0.00 0.00 23.12 22.13 2jtc s ALA 196 CO 0.21 0.26 0.80 -0.59 0.00 0.00 0.00 175.76 176.44 2jtc s PHE 197 N -2.33 -0.06 -0.08 0.00 -0.71 0.26 -3.56 117.98 111.50 2jtc s PHE 197 Ca 0.32 -0.44 0.03 0.00 -1.04 0.00 0.00 56.93 55.80 2jtc s PHE 197 Cb -0.06 0.74 -0.02 0.00 -1.21 0.00 0.00 43.02 42.47 2jtc s PHE 197 CO 0.20 -1.27 -0.18 0.08 -1.34 0.00 0.00 175.22 172.71 2jtc s VAL 198 N -3.19 2.64 -0.40 -2.49 1.01 -1.17 -0.79 120.40 116.01 2jtc s VAL 198 Ca 0.13 -0.85 -0.13 0.00 0.00 0.00 0.00 61.98 61.14 2jtc s VAL 198 Cb -0.05 -2.03 0.03 0.00 0.00 0.00 0.00 36.38 34.34 2jtc s VAL 198 CO 0.08 0.56 0.26 -0.63 0.00 0.00 0.00 175.10 175.37 2jtc s ILE 199 N -0.15 4.84 -0.21 2.22 1.01 -0.68 -0.26 121.20 127.97 2jtc s ILE 199 Ca -0.02 -0.87 0.13 0.00 0.00 0.00 0.00 60.65 59.89 2jtc s ILE 199 Cb -0.14 -3.74 0.44 0.00 0.01 0.00 0.00 42.46 39.03 2jtc s ILE 199 CO 0.04 -0.32 1.20 -0.90 0.00 0.00 0.00 174.94 174.95 2jtc n ASP 200 N 5.07 2.45 -3.62 3.58 5.68 -0.87 0.04 116.55 128.89 2jtc n ASP 200 Ca -0.11 -3.49 -0.04 0.00 -0.50 0.00 0.00 54.79 50.65 2jtc n ASP 200 Cb 0.46 -0.45 -0.01 0.00 -1.14 0.00 0.00 41.12 39.98 2jtc n ASP 200 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 2jtc s GLY 201 N -3.21 -0.35 -0.01 6.12 0.00 -1.24 0.21 107.32 108.85 2jtc s GLY 201 Ca 0.40 0.87 -0.06 0.00 0.00 0.00 0.00 44.72 45.93 2jtc s GLY 201 CO -0.05 0.25 0.12 0.00 0.00 0.00 0.00 173.10 173.41 2jtc s ALA 202 N -2.81 -0.27 -0.85 3.20 0.00 0.10 -0.79 121.76 120.34 2jtc s ALA 202 Ca 0.10 -0.07 0.09 0.00 0.00 0.00 0.00 51.96 52.08 2jtc s ALA 202 Cb 0.00 0.04 0.20 0.00 0.00 0.00 0.00 23.12 23.37 2jtc s ALA 202 CO -0.04 -0.17 1.10 -3.47 0.00 0.00 0.00 175.76 173.18 2jtc n ASP 203 N 1.83 2.50 0.00 0.00 -0.08 0.79 -0.07 116.55 121.52 2jtc n ASP 203 Ca -0.21 -1.84 0.00 0.00 -1.51 0.00 0.00 54.79 51.23 2jtc n ASP 203 Cb 0.56 -0.14 0.00 0.00 2.34 0.00 0.00 41.12 43.88 2jtc n ASP 203 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2jtc n GLY 204 N 0.37 1.55 1.99 0.27 0.00 -1.24 -4.73 105.19 103.40 2jtc n GLY 204 Ca 0.08 -0.11 -0.15 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 1.83 -2.40 1.61 1.74 -1.26 -4.46 116.66 113.72 2jtc n ARG 205 Ca 0.00 -1.30 -0.16 0.00 -0.77 0.00 0.00 57.85 55.63 2jtc n ARG 205 Cb 0.00 -1.71 -0.00 0.00 -1.02 0.00 0.00 32.46 29.73 2jtc n ARG 205 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2jtc n ASN 206 N 1.23 -4.70 -4.32 0.55 5.03 -1.26 -5.00 115.26 106.79 2jtc n ASN 206 Ca 0.31 -0.06 -0.32 0.00 0.87 0.00 0.00 54.58 55.39 2jtc n ASN 206 Cb 0.63 -3.78 -0.15 0.00 -1.02 0.00 0.00 39.78 35.46 2jtc n ASN 206 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 2jtc s PHE 207 N -2.82 2.55 0.28 3.10 0.40 -1.26 -4.95 117.98 115.28 2jtc s PHE 207 Ca 0.05 -0.61 0.09 0.00 -0.60 0.00 0.00 56.93 55.85 2jtc s PHE 207 Cb -0.02 -1.65 -0.06 0.00 0.51 0.00 0.00 43.02 41.81 2jtc s PHE 207 CO 0.06 -0.14 -0.11 0.71 0.70 0.00 0.00 175.22 176.43 2jtc s TYR 208 N -0.18 2.08 -0.01 0.36 1.51 -1.26 0.28 117.35 120.12 2jtc s TYR 208 Ca -0.02 -0.56 -0.17 0.00 -1.01 0.00 0.00 57.07 55.32 2jtc s TYR 208 Cb -0.14 -1.09 -0.06 0.00 -0.11 0.00 0.00 41.96 40.57 2jtc s TYR 208 CO 0.03 0.45 0.46 -1.58 -1.11 0.00 0.00 175.55 173.81 2jtc s HIS 209 N -2.81 3.70 -0.02 2.71 5.65 0.03 -1.22 115.29 123.33 2jtc s HIS 209 Ca 0.29 1.04 0.04 0.00 0.25 0.00 0.00 55.06 56.67 2jtc s HIS 209 Cb 0.01 -2.40 -0.01 0.00 -1.18 0.00 0.00 32.58 29.00 2jtc s HIS 209 CO 0.13 0.51 -0.13 0.08 -0.65 0.00 0.00 174.74 174.68 2jtc s VAL 210 N -0.67 1.08 -0.89 0.89 1.01 0.70 -2.04 120.40 120.48 2jtc s VAL 210 Ca 0.25 -0.56 -0.00 0.00 0.00 0.00 0.00 61.98 61.68 2jtc s VAL 210 Cb -0.17 -0.91 0.27 0.00 0.00 0.00 0.00 36.38 35.56 2jtc s VAL 210 CO 0.14 0.31 1.07 -3.20 0.00 0.00 0.00 175.10 173.42 2jtc n ASN 211 N 2.94 5.00 -4.18 3.32 2.85 0.64 0.18 115.26 126.02 2jtc n ASN 211 Ca -0.16 -3.35 -0.35 0.00 -0.11 0.00 0.00 54.58 50.61 2jtc n ASN 211 Cb 0.55 -1.02 0.11 0.00 1.24 0.00 0.00 39.78 40.65 2jtc n ASN 211 CO 0.00 0.00 0.00 0.79 -2.11 0.00 0.00 177.26 175.94 2jtc n TRP 212 N 1.41 -1.85 -0.16 1.20 7.02 -1.26 -3.02 117.44 120.78 2jtc n TRP 212 Ca 0.26 0.29 -0.06 0.00 -1.02 0.00 0.00 57.50 56.98 2jtc n TRP 212 Cb 0.37 -1.52 0.15 0.00 -2.42 0.00 0.00 31.31 27.89 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 2.58 2.93 0.00 6.99 0.00 -1.23 -4.86 105.19 111.59 2jtc n GLY 213 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.59 0.00 1.61 7.02 -1.26 -4.81 117.44 118.32 2jtc n TRP 214 Ca 0.26 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.74 2jtc n TRP 214 Cb 0.99 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.88 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 0.79 2.41 6.99 0.00 -1.26 -4.86 105.19 114.26 2jtc n GLY 215 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 2.93 4.14 0.00 -0.02 0.00 -1.26 -4.90 105.19 106.08 2jtc n GLY 216 Ca 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.90 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 0.50 0.00 -0.01 1.61 3.14 -1.26 -4.77 118.33 117.54 2jtc n VAL 217 Ca 0.26 0.00 0.02 0.00 -2.96 0.00 0.00 64.34 61.66 2jtc n VAL 217 Cb 0.52 -0.08 0.20 0.00 -1.06 0.00 0.00 33.84 33.42 2jtc n VAL 217 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2jtc n SER 218 N 0.00 3.47 -4.60 6.55 7.64 -1.26 -4.90 113.62 120.53 2jtc n SER 218 Ca 0.00 -2.52 -0.43 0.00 1.01 0.00 0.00 58.87 56.93 2jtc n SER 218 Cb 0.00 -0.61 -0.03 0.00 -1.01 0.00 0.00 64.21 62.56 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 -0.38 5.40 0.00 6.43 1.11 -1.26 -3.89 116.67 124.08 2jtc s ASP 219 Ca 0.29 1.79 0.00 0.00 0.18 0.00 0.00 52.55 54.81 2jtc s ASP 219 Cb 0.22 -2.51 0.00 0.00 1.07 0.00 0.00 42.92 41.70 2jtc s ASP 219 CO 0.08 -2.02 0.00 0.61 1.18 0.00 0.00 175.17 175.02 2jtc n GLY 220 N 5.77 1.00 3.73 0.21 0.00 0.48 -4.87 105.19 111.51 2jtc n GLY 220 Ca 0.30 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2jtc n GLY 220 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2jtc n PHE 221 N 0.00 2.81 -2.42 1.61 3.01 -1.25 0.25 117.46 121.48 2jtc n PHE 221 Ca 0.00 0.10 -0.26 0.00 1.01 0.00 0.00 57.45 58.30 2jtc n PHE 221 Cb 0.00 -2.66 0.04 0.00 -0.01 0.00 0.00 39.48 36.85 2jtc n PHE 221 CO 0.00 0.00 0.00 -0.59 1.01 0.00 0.00 176.76 177.18 2jtc s PHE 222 N 0.80 3.18 0.87 1.38 -0.71 -0.35 -4.62 117.98 118.52 2jtc s PHE 222 Ca 0.71 0.55 -0.11 0.00 -1.04 0.00 0.00 56.93 57.05 2jtc s PHE 222 Cb -0.50 -2.78 0.19 0.00 -1.21 0.00 0.00 43.02 38.72 2jtc s PHE 222 CO 0.37 -0.89 1.18 -2.13 -1.34 0.00 0.00 175.22 172.42 2jtc n ARG 223 N -2.59 -0.86 0.00 1.99 3.00 -1.26 -4.80 116.66 112.14 2jtc n ARG 223 Ca 0.05 -2.23 0.01 0.00 -0.00 0.00 0.00 57.85 55.69 2jtc n ARG 223 Cb 0.58 -1.09 0.00 0.00 0.00 0.00 0.00 32.46 31.95 2jtc n ARG 223 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2jtc n LEU 224 N 0.00 0.74 0.00 6.15 4.77 -1.26 -4.90 117.00 122.50 2jtc n LEU 224 Ca 0.16 -0.78 0.00 0.00 -0.03 0.00 0.00 56.01 55.36 2jtc n LEU 224 Cb 0.57 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 2jtc n LEU 224 CO 0.40 0.17 0.00 -0.90 -1.33 0.00 0.00 177.39 175.73 2jtc n ASP 225 N -0.37 0.00 0.00 -1.43 5.68 -1.26 -5.11 116.55 114.06 2jtc n ASP 225 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.30 2jtc n ASP 225 Cb 0.05 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.03 2jtc n ASP 225 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2jtc n ALA 226 N -1.19 0.31 -2.59 2.12 0.00 -1.26 -5.14 120.51 112.76 2jtc n ALA 226 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 2jtc n ALA 226 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 2jtc n ALA 226 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2jtc s LEU 227 N 0.00 2.51 -0.74 0.00 2.34 -1.26 -4.75 118.68 116.78 2jtc s LEU 227 Ca 0.00 -1.45 0.02 0.00 0.06 0.00 0.00 54.13 52.76 2jtc s LEU 227 Cb 0.00 -0.96 0.18 0.00 -0.56 0.00 0.00 46.19 44.85 2jtc s LEU 227 CO 0.00 -0.94 0.56 0.21 -1.06 0.00 0.00 176.35 175.12 2jtc s ASN 228 N -4.05 5.18 -1.09 1.48 3.84 -1.26 -4.88 114.94 114.16 2jtc s ASN 228 Ca 0.20 -3.65 -0.22 0.00 0.21 0.00 0.00 52.86 49.40 2jtc s ASN 228 Cb 0.00 -1.74 0.04 0.00 -0.55 0.00 0.00 41.25 39.00 2jtc s ASN 228 CO 0.12 -0.15 1.61 -2.16 -2.79 0.00 0.00 177.10 173.72 2jtc s PRO 229 N -1.20 3.52 -0.06 0.43 0.04 -1.26 -4.75 135.00 131.71 2jtc s PRO 229 Ca 0.24 -1.26 0.00 0.00 0.04 0.00 0.00 61.00 60.02 2jtc s PRO 229 Cb -0.09 -5.37 -0.26 0.00 0.04 0.00 0.00 34.50 28.83 2jtc s PRO 229 CO -0.13 -2.46 0.59 0.66 0.04 0.00 0.00 177.00 175.70 2jtc h SER 230 N 9.37 0.28 -3.62 6.66 4.64 -2.02 -3.42 113.55 125.45 2jtc h SER 230 Ca 0.26 -0.56 -0.69 0.00 -0.47 0.00 0.00 61.79 60.32 2jtc h SER 230 Cb 0.97 -0.09 -0.35 0.00 -0.31 0.00 0.00 62.40 62.62 2jtc h SER 230 CO 1.40 1.49 -0.51 0.00 -0.87 0.00 0.00 176.83 178.34 2jtc s ALA 231 N -2.59 3.24 0.23 5.18 0.00 -1.26 -4.95 121.76 121.62 2jtc s ALA 231 Ca -0.13 -2.68 -0.06 0.00 0.00 0.00 0.00 51.96 49.08 2jtc s ALA 231 Cb 0.07 -2.46 0.37 0.00 0.00 0.00 0.00 23.12 21.10 2jtc s ALA 231 CO 0.81 -1.86 1.76 -0.07 0.00 0.00 0.00 175.76 176.40 2jtc h LEU 232 N 7.84 0.40 -0.74 0.00 3.38 -1.89 -3.47 115.31 120.84 2jtc h LEU 232 Ca -0.11 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2jtc h LEU 232 Cb 1.03 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2jtc h LEU 232 CO 0.70 0.21 0.00 0.61 0.09 0.00 0.00 178.44 180.05 2jtc n GLY 233 N -1.31 -2.89 1.52 0.83 0.00 -1.25 -3.65 105.19 98.44 2jtc n GLY 233 Ca 0.12 -0.87 0.10 0.00 0.00 0.00 0.00 46.02 45.37 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 0.38 1.62 0.00 2.61 -1.04 -1.26 -4.13 114.28 112.45 2jtc n THR 234 Ca 0.00 -1.15 0.00 0.00 -2.04 0.00 0.00 64.05 60.86 2jtc n THR 234 Cb 0.00 0.23 0.00 0.00 -1.82 0.00 0.00 70.33 68.74 2jtc n THR 234 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2jtc n GLY 235 N 1.24 1.01 0.00 3.41 0.00 -1.26 -4.94 105.19 104.65 2jtc n GLY 235 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 2.78 0.00 3.56 -0.02 0.00 -1.26 -4.97 105.19 105.28 2jtc n GLY 236 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2jtc n GLY 236 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jtc s GLY 237 N -2.76 1.75 -0.36 -0.02 0.00 -1.26 -4.91 107.32 99.76 2jtc s GLY 237 Ca 0.00 -0.94 0.07 0.00 0.00 0.00 0.00 44.72 43.84 2jtc s GLY 237 CO 0.00 1.47 1.57 0.00 0.00 0.00 0.00 173.10 176.14 2jtc n ALA 238 N 6.05 4.84 0.00 3.20 0.00 -1.25 -3.86 120.51 129.49 2jtc n ALA 238 Ca -0.02 -3.23 0.00 0.00 0.00 0.00 0.00 53.44 50.20 2jtc n ALA 238 Cb 0.48 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 19.02 2jtc n ALA 238 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jtc n GLY 239 N -1.06 -1.76 0.00 0.00 0.00 -1.24 -4.98 105.19 96.14 2jtc n GLY 239 Ca 0.42 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.71 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 1.60 0.16 -0.02 0.00 -1.26 -4.11 105.19 101.55 2jtc n GLY 240 Ca 0.00 0.45 -0.01 0.00 0.00 0.00 0.00 46.02 46.46 2jtc n GLY 240 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2jtc n PHE 241 N 0.00 -1.92 -3.78 1.61 1.16 -1.26 -4.52 117.46 108.74 2jtc n PHE 241 Ca 0.00 -0.03 -0.37 0.00 -1.87 0.00 0.00 57.45 55.18 2jtc n PHE 241 Cb 0.00 -0.06 -0.13 0.00 -1.61 0.00 0.00 39.48 37.68 2jtc n PHE 241 CO 0.00 0.00 0.00 1.21 -1.87 0.00 0.00 176.76 176.10 2jtc s ASN 242 N -1.96 4.98 0.00 5.98 3.04 -1.26 -3.60 114.94 122.11 2jtc s ASN 242 Ca 0.03 -0.43 0.00 0.00 0.04 0.00 0.00 52.86 52.50 2jtc s ASN 242 Cb -0.01 -1.87 0.00 0.00 -1.54 0.00 0.00 41.25 37.83 2jtc s ASN 242 CO 0.03 -0.09 0.00 0.61 -3.04 0.00 0.00 177.10 174.60 2jtc n GLY 243 N 4.88 0.00 2.67 1.21 0.00 -1.25 -4.94 105.19 107.77 2jtc n GLY 243 Ca -0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 2jtc n GLY 243 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2jtc n TYR 244 N -2.53 2.92 -3.32 1.61 4.02 -1.26 -4.93 117.16 113.66 2jtc n TYR 244 Ca 0.00 -3.96 -0.38 0.00 -0.01 0.00 0.00 57.90 53.55 2jtc n TYR 244 Cb 0.07 -0.48 -0.06 0.00 -0.02 0.00 0.00 39.34 38.85 2jtc n TYR 244 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 176.86 176.99 2jtc s GLN 245 N -3.03 4.28 0.24 -0.72 -2.07 -1.26 -4.00 119.66 113.10 2jtc s GLN 245 Ca 0.45 0.49 -0.06 0.00 -1.82 0.00 0.00 55.36 54.43 2jtc s GLN 245 Cb 0.28 -3.39 -0.02 0.00 -1.09 0.00 0.00 33.01 28.78 2jtc s GLN 245 CO -0.11 0.26 0.31 -1.54 -1.32 0.00 0.00 175.29 172.89 2jtc s SER 246 N 0.27 0.15 0.13 12.60 1.04 -1.06 -1.93 113.70 124.90 2jtc s SER 246 Ca 0.27 -1.21 0.02 0.00 0.48 0.00 0.00 55.95 55.50 2jtc s SER 246 Cb -0.16 0.50 -0.04 0.00 0.10 0.00 0.00 66.02 66.41 2jtc s SER 246 CO 0.12 -1.01 -0.04 0.00 0.98 0.00 0.00 173.24 173.29 2jtc s ALA 247 N -3.99 1.16 -0.27 5.32 0.00 0.70 -2.15 121.76 122.52 2jtc s ALA 247 Ca 0.31 -1.46 -0.01 0.00 0.00 0.00 0.00 51.96 50.81 2jtc s ALA 247 Cb 0.03 0.33 0.04 0.00 0.00 0.00 0.00 23.12 23.52 2jtc s ALA 247 CO 0.12 -0.27 -0.06 0.08 0.00 0.00 0.00 175.76 175.64 2jtc s VAL 248 N -3.63 2.72 -0.01 0.00 1.01 0.39 0.29 120.40 121.17 2jtc s VAL 248 Ca 0.17 -1.29 0.03 0.00 0.00 0.00 0.00 61.98 60.89 2jtc s VAL 248 Cb 0.05 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 2jtc s VAL 248 CO -0.01 0.05 -0.06 0.68 0.00 0.00 0.00 175.10 175.76 2jtc s VAL 249 N 1.25 3.69 0.00 2.92 -7.23 -0.28 -1.68 120.40 119.07 2jtc s VAL 249 Ca -0.04 -0.72 0.00 0.00 -1.81 0.00 0.00 61.98 59.41 2jtc s VAL 249 Cb -0.18 -2.59 0.00 0.00 0.56 0.00 0.00 36.38 34.16 2jtc s VAL 249 CO -0.04 0.42 0.00 0.61 -0.31 0.00 0.00 175.10 175.79 2jtc n GLY 250 N 1.64 0.65 3.41 2.32 0.00 -1.26 -3.02 105.19 108.93 2jtc n GLY 250 Ca -0.16 -0.33 -0.45 0.00 0.00 0.00 0.00 46.02 45.09 2jtc n GLY 250 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jtc s ILE 251 N -2.34 4.87 -0.08 -0.61 1.01 -1.26 -2.73 121.20 120.05 2jtc s ILE 251 Ca 0.00 -1.43 -0.30 0.00 0.00 0.00 0.00 60.65 58.92 2jtc s ILE 251 Cb 0.00 -4.63 0.08 0.00 0.01 0.00 0.00 42.46 37.91 2jtc s ILE 251 CO 0.00 -1.31 0.72 -1.59 0.00 0.00 0.00 174.94 172.76 2jtc s LYS 252 N 2.39 0.99 0.00 2.79 -2.85 -1.26 -4.90 119.74 116.90 2jtc s LYS 252 Ca 0.23 0.31 0.26 0.00 -1.00 0.00 0.00 55.97 55.77 2jtc s LYS 252 Cb -0.13 0.47 1.55 0.00 -2.06 0.00 0.00 37.83 37.66 2jtc s LYS 252 CO -0.03 -0.30 1.90 -0.35 0.10 0.00 0.00 175.35 176.68