#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 0.89 -0.04 3.69 0.04 -1.26 -4.59 135.00 133.73 2jtc s PRO 2 Ca 0.00 -0.14 0.05 0.00 0.04 0.00 0.00 61.00 60.96 2jtc s PRO 2 Cb 0.00 -1.85 -0.01 0.00 0.04 0.00 0.00 34.50 32.68 2jtc s PRO 2 CO 0.00 -2.29 -0.21 0.08 0.04 0.00 0.00 177.00 174.62 2jtc s VAL 3 N -3.63 1.69 -0.05 -0.36 1.01 -1.26 -3.53 120.40 114.27 2jtc s VAL 3 Ca 0.69 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.81 2jtc s VAL 3 Cb -0.08 -1.43 0.02 0.00 0.00 0.00 0.00 36.38 34.88 2jtc s VAL 3 CO 0.52 0.48 -0.08 -0.69 0.00 0.00 0.00 175.10 175.33 2jtc s VAL 4 N -0.17 0.81 0.41 2.92 1.01 -0.87 -4.82 120.40 119.69 2jtc s VAL 4 Ca -0.00 -0.30 -0.07 0.00 0.00 0.00 0.00 61.98 61.61 2jtc s VAL 4 Cb -0.11 -0.77 0.10 0.00 0.00 0.00 0.00 36.38 35.60 2jtc s VAL 4 CO 0.02 0.28 0.44 0.29 0.00 0.00 0.00 175.10 176.13 2jtc n LYS 5 N 3.83 -1.21 -2.42 2.72 4.76 -1.26 0.27 118.16 124.85 2jtc n LYS 5 Ca -0.23 -0.70 -0.40 0.00 -2.87 0.00 0.00 58.31 54.10 2jtc n LYS 5 Cb 0.52 -0.56 -0.03 0.00 -1.84 0.00 0.00 35.03 33.12 2jtc n LYS 5 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2jtc s SER 6 N -2.69 5.95 0.13 4.39 0.01 -1.21 -3.29 113.70 116.99 2jtc s SER 6 Ca 0.27 -0.22 -0.19 0.00 1.31 0.00 0.00 55.95 57.12 2jtc s SER 6 Cb -0.02 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.62 2jtc s SER 6 CO 0.20 -1.95 1.76 -0.07 0.41 0.00 0.00 173.24 173.59 2jtc h LEU 7 N 13.81 0.15 -0.89 2.44 3.38 0.14 0.56 115.31 134.90 2jtc h LEU 7 Ca -0.27 0.01 0.09 0.00 0.09 0.00 0.00 57.88 57.79 2jtc h LEU 7 Cb 1.08 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.74 2jtc h LEU 7 CO 1.26 0.12 0.54 -0.07 0.09 0.00 0.00 178.44 180.38 2jtc h LEU 8 N 0.23 0.82 -0.66 1.67 3.38 -1.89 0.37 115.31 119.23 2jtc h LEU 8 Ca 0.09 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.99 2jtc h LEU 8 Cb 0.03 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2jtc h LEU 8 CO -0.07 0.48 -0.12 -0.78 0.09 0.00 0.00 178.44 178.04 2jtc h ASP 9 N 0.93 0.92 0.00 -0.43 3.58 -1.50 0.36 116.42 120.29 2jtc h ASP 9 Ca 0.41 -0.30 0.00 0.00 0.42 0.00 0.00 57.03 57.57 2jtc h ASP 9 Cb 0.31 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.11 2jtc h ASP 9 CO -0.22 1.05 0.08 -1.28 -2.88 0.00 0.00 179.24 175.98 2jtc h SER 10 N 0.82 0.00 0.00 2.28 0.87 0.22 0.50 113.55 118.24 2jtc h SER 10 Ca 0.13 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 2jtc h SER 10 Cb 0.65 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 2jtc h SER 10 CO 0.05 0.00 -0.00 0.29 -0.53 0.00 0.00 176.83 176.64 2jtc n LYS 11 N -2.38 2.17 -4.24 2.24 5.02 -0.46 -4.97 118.16 115.54 2jtc n LYS 11 Ca -0.02 -2.01 -0.34 0.00 -2.02 0.00 0.00 58.31 53.92 2jtc n LYS 11 Cb 0.11 -1.24 -0.05 0.00 -0.02 0.00 0.00 35.03 33.84 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 -0.95 -0.34 3.51 0.72 0.00 0.17 -4.74 105.19 103.57 2jtc n GLY 12 Ca 0.08 0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.59 4.90 -0.30 -0.61 1.01 0.11 -3.28 121.20 119.44 2jtc s ILE 13 Ca 0.49 0.01 -0.02 0.00 0.00 0.00 0.00 60.65 61.13 2jtc s ILE 13 Cb -0.27 -4.15 0.10 0.00 0.01 0.00 0.00 42.46 38.14 2jtc s ILE 13 CO 0.95 -0.54 0.11 -1.00 0.00 0.00 0.00 174.94 174.46 2jtc s HIS 14 N 2.63 1.16 0.52 3.97 3.76 0.72 -4.67 115.29 123.38 2jtc s HIS 14 Ca 0.20 -1.40 0.08 0.00 -0.15 0.00 0.00 55.06 53.80 2jtc s HIS 14 Cb -0.15 -1.39 0.05 0.00 1.11 0.00 0.00 32.58 32.20 2jtc s HIS 14 CO 0.17 -0.86 0.64 0.71 -0.85 0.00 0.00 174.74 174.55 2jtc s TYR 15 N 1.81 1.87 0.05 1.40 2.02 -1.26 -3.89 117.35 119.34 2jtc s TYR 15 Ca 0.09 -0.65 0.00 0.00 -0.37 0.00 0.00 57.07 56.14 2jtc s TYR 15 Cb -0.17 -2.19 -0.00 0.00 -0.40 0.00 0.00 41.96 39.20 2jtc s TYR 15 CO -0.30 -0.78 0.06 -1.71 -1.57 0.00 0.00 175.55 171.25 2jtc n ASN 16 N -2.01 -0.16 0.00 2.29 2.85 -1.26 -5.03 115.26 111.95 2jtc n ASN 16 Ca 0.10 -1.26 0.00 0.00 -0.11 0.00 0.00 54.58 53.31 2jtc n ASN 16 Cb 0.62 0.31 0.00 0.00 1.24 0.00 0.00 39.78 41.94 2jtc n ASN 16 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2jtc n GLN 17 N -0.08 1.39 0.02 1.20 6.02 -1.26 -4.73 117.38 119.94 2jtc n GLN 17 Ca 0.00 -0.24 -0.02 0.00 -0.01 0.00 0.00 57.00 56.73 2jtc n GLN 17 Cb 0.08 -0.70 -0.01 0.00 1.02 0.00 0.00 30.24 30.63 2jtc n GLN 17 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jtc n GLY 18 N 0.27 -0.13 0.00 1.08 0.00 -1.26 -2.76 105.19 102.39 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 -3.62 0.00 -0.12 1.61 4.05 -1.26 -3.44 115.26 112.48 2jtc n ASN 19 Ca -0.03 0.00 0.01 0.00 0.45 0.00 0.00 54.58 55.01 2jtc n ASN 19 Cb 0.10 0.00 0.02 0.00 1.23 0.00 0.00 39.78 41.13 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 1.13 0.10 1.20 -0.04 -1.26 -3.62 135.00 132.51 2jtc n PRO 20 Ca 0.00 -0.19 -0.22 0.00 -0.04 0.00 0.00 63.50 63.05 2jtc n PRO 20 Cb 0.00 -1.07 -0.15 0.00 -0.04 0.00 0.00 33.50 32.24 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 0.31 0.73 -0.89 0.54 0.05 -1.85 -3.21 116.97 112.64 2jtc h TYR 21 Ca 0.00 -0.54 -0.55 0.00 0.05 0.00 0.00 58.73 57.69 2jtc h TYR 21 Cb 0.10 -0.03 -0.29 0.00 1.01 0.00 0.00 36.73 37.52 2jtc h TYR 21 CO 0.04 1.55 0.52 0.27 -1.05 0.00 0.00 178.16 179.49 2jtc n ASN 22 N -3.60 5.46 0.00 3.88 0.23 -1.22 -4.29 115.26 115.72 2jtc n ASN 22 Ca -0.19 -3.73 0.14 0.00 -0.53 0.00 0.00 54.58 50.27 2jtc n ASN 22 Cb 1.08 -0.83 0.74 0.00 -2.08 0.00 0.00 39.78 38.69 2jtc n ASN 22 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2jtc n LEU 23 N -1.00 0.00 -0.02 -4.53 4.77 -1.25 -3.13 117.00 111.84 2jtc n LEU 23 Ca 0.56 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.75 2jtc n LEU 23 Cb 1.08 -0.20 0.01 0.00 -2.33 0.00 0.00 43.42 41.98 2jtc n LEU 23 CO 0.62 -0.02 0.39 0.18 -1.33 0.00 0.00 177.39 177.23 2jtc n LEU 24 N -1.20 1.08 -4.89 2.23 4.77 -1.26 -5.01 117.00 112.72 2jtc n LEU 24 Ca 0.16 -1.15 -0.30 0.00 -0.03 0.00 0.00 56.01 54.69 2jtc n LEU 24 Cb 0.18 -0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.29 2jtc n LEU 24 CO 0.20 0.28 0.69 0.42 -1.33 0.00 0.00 177.39 177.65 2jtc s THR 25 N -0.61 3.89 0.08 -5.08 -4.23 -1.18 -4.85 115.64 103.65 2jtc s THR 25 Ca 0.01 0.49 -0.31 0.00 -1.18 0.00 0.00 61.69 60.70 2jtc s THR 25 Cb 0.01 -3.59 -0.07 0.00 1.34 0.00 0.00 72.50 70.19 2jtc s THR 25 CO 0.00 -0.74 1.38 -2.16 -0.54 0.00 0.00 174.62 172.56 2jtc s PRO 26 N -5.22 4.32 0.51 3.99 0.04 -1.26 -4.62 135.00 132.75 2jtc s PRO 26 Ca 0.56 2.03 -0.20 0.00 0.04 0.00 0.00 61.00 63.43 2jtc s PRO 26 Cb -0.11 -3.35 -0.08 0.00 0.04 0.00 0.00 34.50 31.00 2jtc s PRO 26 CO 0.51 -0.47 1.05 0.08 0.04 0.00 0.00 177.00 178.21 2jtc s VAL 27 N 1.49 3.74 0.42 -0.36 1.01 -1.26 -1.68 120.40 123.75 2jtc s VAL 27 Ca 0.64 1.05 -0.22 0.00 0.00 0.00 0.00 61.98 63.44 2jtc s VAL 27 Cb -0.35 -3.43 -0.10 0.00 0.00 0.00 0.00 36.38 32.51 2jtc s VAL 27 CO 0.29 -0.27 0.99 -0.63 0.00 0.00 0.00 175.10 175.48 2jtc s ILE 28 N -2.03 4.06 0.00 2.22 1.01 0.15 -4.82 121.20 121.78 2jtc s ILE 28 Ca 0.67 1.42 0.00 0.00 0.00 0.00 0.00 60.65 62.74 2jtc s ILE 28 Cb -0.17 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.64 2jtc s ILE 28 CO 0.23 -0.14 0.00 -0.62 0.00 0.00 0.00 174.94 174.41 2jtc n GLU 29 N -0.36 1.88 -4.60 2.79 1.02 -1.08 -0.41 120.64 119.87 2jtc n GLU 29 Ca 0.06 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.93 2jtc n GLU 29 Cb 0.52 -0.86 -0.10 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 -1.49 1.93 0.09 3.49 1.02 0.52 -4.80 119.74 120.49 2jtc s LYS 30 Ca 0.00 -2.13 0.07 0.00 0.02 0.00 0.00 55.97 53.94 2jtc s LYS 30 Cb 0.00 -1.40 -0.04 0.00 -0.52 0.00 0.00 37.83 35.87 2jtc s LYS 30 CO 0.00 -0.16 -0.14 0.08 -0.92 0.00 0.00 175.35 174.21 2jtc s VAL 31 N -2.89 3.13 -0.08 3.17 1.01 -1.25 -4.26 120.40 119.23 2jtc s VAL 31 Ca 0.29 -1.29 -0.22 0.00 0.00 0.00 0.00 61.98 60.76 2jtc s VAL 31 Cb 0.08 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 2jtc s VAL 31 CO 0.15 0.17 0.65 -0.75 0.00 0.00 0.00 175.10 175.31 2jtc s LYS 32 N -1.99 4.41 0.01 2.72 2.20 -1.22 -4.75 119.74 121.12 2jtc s LYS 32 Ca 0.19 0.78 -0.30 0.00 -0.36 0.00 0.00 55.97 56.27 2jtc s LYS 32 Cb -0.11 -3.44 -0.06 0.00 -1.51 0.00 0.00 37.83 32.71 2jtc s LYS 32 CO 0.11 0.09 1.41 -1.25 -0.36 0.00 0.00 175.35 175.35 2jtc s PRO 33 N 0.75 4.28 0.00 4.03 0.04 -1.26 -2.50 135.00 140.33 2jtc s PRO 33 Ca 0.35 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.38 2jtc s PRO 33 Cb -0.17 -3.57 0.00 0.00 0.04 0.00 0.00 34.50 30.80 2jtc s PRO 33 CO 0.16 -0.58 0.00 0.41 0.04 0.00 0.00 177.00 177.03 2jtc n GLY 34 N 3.66 1.10 2.55 0.56 0.00 -1.26 -5.08 105.19 106.73 2jtc n GLY 34 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.51 0.49 -1.24 1.61 2.13 -1.04 -5.17 120.64 115.91 2jtc n GLU 35 Ca 0.00 -2.23 -0.18 0.00 0.66 0.00 0.00 57.16 55.41 2jtc n GLU 35 Cb 0.00 2.07 0.13 0.00 0.27 0.00 0.00 31.44 33.91 2jtc n GLU 35 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2jtc n GLN 36 N -0.45 -0.77 -3.10 5.31 6.02 -1.26 -4.83 117.38 118.29 2jtc n GLN 36 Ca 0.02 -1.33 -0.39 0.00 -0.01 0.00 0.00 57.00 55.29 2jtc n GLN 36 Cb 0.45 -0.85 -0.06 0.00 1.02 0.00 0.00 30.24 30.81 2jtc n GLN 36 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2jtc s SER 37 N -4.06 7.21 -0.10 1.08 0.15 -1.26 -4.38 113.70 112.33 2jtc s SER 37 Ca 0.48 1.43 0.14 0.00 0.70 0.00 0.00 55.95 58.70 2jtc s SER 37 Cb -0.01 -2.43 0.21 0.00 -1.71 0.00 0.00 66.02 62.08 2jtc s SER 37 CO 0.33 0.18 1.10 0.49 1.20 0.00 0.00 173.24 176.54 2jtc n PHE 38 N 2.00 0.00 -2.11 3.44 3.72 -1.26 -5.03 117.46 118.22 2jtc n PHE 38 Ca -0.07 -0.77 -0.38 0.00 -0.05 0.00 0.00 57.45 56.18 2jtc n PHE 38 Cb 0.50 -0.12 -0.00 0.00 -0.94 0.00 0.00 39.48 38.91 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 -2.19 2.75 0.00 -4.37 1.01 -1.26 -1.87 120.40 114.47 2jtc s VAL 39 Ca 0.23 0.62 0.00 0.00 0.00 0.00 0.00 61.98 62.83 2jtc s VAL 39 Cb 0.21 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 33.25 2jtc s VAL 39 CO 0.02 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.78 2jtc n GLY 40 N 0.61 1.78 3.71 4.51 0.00 0.45 -4.91 105.19 111.34 2jtc n GLY 40 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 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 4.40 -0.30 1.61 -0.21 -0.78 -4.75 119.66 119.63 2jtc s GLN 41 Ca 0.00 0.87 -0.29 0.00 0.02 0.00 0.00 55.36 55.96 2jtc s GLN 41 Cb 0.00 -3.47 -0.01 0.00 1.00 0.00 0.00 33.01 30.53 2jtc s GLN 41 CO 0.00 -0.00 1.45 -1.01 -2.12 0.00 0.00 175.29 173.61 2jtc s HIS 42 N 1.03 2.39 0.88 0.91 3.76 -1.26 0.31 115.29 123.31 2jtc s HIS 42 Ca 0.37 0.71 -0.14 0.00 -0.15 0.00 0.00 55.06 55.85 2jtc s HIS 42 Cb -0.17 -4.02 0.02 0.00 1.11 0.00 0.00 32.58 29.52 2jtc s HIS 42 CO 0.17 -2.23 0.51 0.00 -0.85 0.00 0.00 174.74 172.34 2jtc n ALA 43 N 8.26 -2.09 -1.79 -1.40 0.00 -0.68 -4.85 120.51 117.96 2jtc n ALA 43 Ca 0.17 -0.49 -0.29 0.00 0.00 0.00 0.00 53.44 52.83 2jtc n ALA 43 Cb 0.46 -1.85 0.10 0.00 0.00 0.00 0.00 19.45 18.16 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 2.38 0.15 0.00 0.00 -0.92 -4.67 121.76 116.44 2jtc s ALA 44 Ca 0.60 -0.62 0.04 0.00 0.00 0.00 0.00 51.96 51.99 2jtc s ALA 44 Cb -0.25 -2.98 -0.07 0.00 0.00 0.00 0.00 23.12 19.81 2jtc s ALA 44 CO 0.64 -1.87 1.34 1.79 0.00 0.00 0.00 175.76 177.65 2jtc h THR 45 N -1.20 1.58 0.00 0.00 1.35 -1.81 -3.42 112.91 109.41 2jtc h THR 45 Ca -0.47 -2.93 0.00 0.00 -0.55 0.00 0.00 66.41 62.46 2jtc h THR 45 Cb 1.33 2.64 0.00 0.00 -1.73 0.00 0.00 68.15 70.39 2jtc h THR 45 CO 0.64 0.84 0.00 0.61 -0.25 0.00 0.00 175.52 177.37 2jtc n GLY 46 N 1.06 2.33 0.27 5.82 0.00 -1.25 -4.36 105.19 109.06 2jtc n GLY 46 Ca -0.02 -1.53 -0.11 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 -0.69 -0.57 1.61 4.64 -1.88 0.33 113.55 117.00 2jtc h SER 47 Ca 0.00 0.10 0.11 0.00 -0.47 0.00 0.00 61.79 61.53 2jtc h SER 47 Cb 0.00 0.28 -0.11 0.00 -0.31 0.00 0.00 62.40 62.26 2jtc h SER 47 CO 0.00 -0.30 -0.25 0.58 -0.87 0.00 0.00 176.83 175.99 2jtc h VAL 48 N -0.36 0.27 0.01 0.95 2.07 -1.80 1.18 116.25 118.57 2jtc h VAL 48 Ca 0.06 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.58 2jtc h VAL 48 Cb 0.45 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 2jtc h VAL 48 CO -0.21 0.00 -0.01 0.00 0.02 0.00 0.00 177.57 177.37 2jtc h ALA 49 N 1.24 -0.02 -0.31 1.67 0.00 -1.45 -1.79 119.26 118.59 2jtc h ALA 49 Ca 0.25 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 2jtc h ALA 49 Cb 0.51 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2jtc h ALA 49 CO -0.64 -0.50 0.02 1.15 0.00 0.00 0.00 179.25 179.28 2jtc h THR 50 N -0.03 1.18 -0.51 0.00 2.02 0.14 1.13 112.91 116.83 2jtc h THR 50 Ca -0.00 -0.68 -0.10 0.00 0.77 0.00 0.00 66.41 66.40 2jtc h THR 50 Cb 0.03 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 2jtc h THR 50 CO 0.00 0.23 -0.07 0.00 0.37 0.00 0.00 175.52 176.06 2jtc h ALA 51 N 1.57 0.91 0.10 6.16 0.00 0.18 0.84 119.26 129.02 2jtc h ALA 51 Ca 0.10 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 2jtc h ALA 51 Cb 0.27 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2jtc h ALA 51 CO 0.01 0.64 -0.05 1.15 0.00 0.00 0.00 179.25 180.99 2jtc h THR 52 N 0.84 1.02 -0.94 0.00 2.02 -0.47 -2.87 112.91 112.51 2jtc h THR 52 Ca 0.14 -1.35 0.16 0.00 0.77 0.00 0.00 66.41 66.13 2jtc h THR 52 Cb 0.59 1.76 -0.08 0.00 -1.74 0.00 0.00 68.15 68.69 2jtc h THR 52 CO 0.04 0.28 0.60 0.00 0.37 0.00 0.00 175.52 176.81 2jtc h ALA 53 N -0.21 1.80 0.18 6.16 0.00 0.13 1.45 119.26 128.77 2jtc h ALA 53 Ca -0.01 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2jtc h ALA 53 Cb 0.57 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2jtc h ALA 53 CO 0.02 -0.07 -0.09 1.96 0.00 0.00 0.00 179.25 181.07 2jtc h GLN 54 N 0.72 -0.24 0.00 0.00 4.20 -0.88 0.24 115.11 119.15 2jtc h GLN 54 Ca 0.49 0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.21 2jtc h GLN 54 Cb 0.78 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.61 2jtc h GLN 54 CO -0.25 0.10 0.00 0.82 -0.67 0.00 0.00 178.83 178.84 2jtc h ILE 55 N -0.61 0.00 -0.06 2.54 2.04 -1.10 0.24 117.51 120.55 2jtc h ILE 55 Ca -0.03 -0.22 -0.11 0.00 1.00 0.00 0.00 64.86 65.50 2jtc h ILE 55 Cb 0.45 1.13 0.01 0.00 -0.74 0.00 0.00 36.82 37.67 2jtc h ILE 55 CO 0.04 0.00 -0.39 0.24 0.00 0.00 0.00 178.15 178.04 2jtc h MET 56 N 0.00 0.38 -0.34 2.37 2.86 0.28 -3.00 114.93 117.48 2jtc h MET 56 Ca 0.00 -0.32 -0.10 0.00 -2.06 0.00 0.00 59.70 57.22 2jtc h MET 56 Cb 0.23 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 2jtc h MET 56 CO 0.00 0.97 -0.20 -0.22 1.06 0.00 0.00 176.91 178.52 2jtc h LYS 57 N -0.11 0.63 -0.67 1.72 1.63 0.80 1.05 116.57 121.61 2jtc h LYS 57 Ca -0.03 -0.23 0.16 0.00 -0.85 0.00 0.00 60.65 59.70 2jtc h LYS 57 Cb 1.06 -0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 32.61 2jtc h LYS 57 CO 0.08 0.79 0.47 -0.92 -3.45 0.00 0.00 179.45 176.42 2jtc h TYR 58 N 0.56 0.22 0.00 1.91 3.20 -0.51 -1.98 116.97 120.37 2jtc h TYR 58 Ca 0.09 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.91 2jtc h TYR 58 Cb 0.66 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 2jtc h TYR 58 CO 0.03 0.08 -1.71 0.72 -1.64 0.00 0.00 178.16 175.64 2jtc n HIS 59 N -4.41 0.00 -3.94 -3.82 8.25 -0.83 -5.00 115.22 105.47 2jtc n HIS 59 Ca 0.13 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.25 2jtc n HIS 59 Cb 0.62 -0.39 0.00 0.00 1.12 0.00 0.00 29.99 31.33 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 -2.10 -2.90 0.00 0.41 3.02 0.36 -4.90 115.26 109.14 2jtc n ASN 60 Ca -0.06 -1.13 0.00 0.00 -0.03 0.00 0.00 54.58 53.36 2jtc n ASN 60 Cb 0.49 -2.59 0.00 0.00 -0.61 0.00 0.00 39.78 37.06 2jtc n ASN 60 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jtc n TYR 61 N -4.54 0.00 -1.97 3.10 9.36 -1.25 -4.71 117.16 117.14 2jtc n TYR 61 Ca -0.18 0.00 -0.40 0.00 3.32 0.00 0.00 57.90 60.64 2jtc n TYR 61 Cb 0.62 -0.27 -0.03 0.00 -0.63 0.00 0.00 39.34 39.03 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 -0.56 2.79 0.48 2.98 0.04 -1.26 -4.76 135.00 134.71 2jtc s PRO 62 Ca 0.00 0.96 0.27 0.00 0.04 0.00 0.00 61.00 62.28 2jtc s PRO 62 Cb 0.00 -4.35 1.10 0.00 0.04 0.00 0.00 34.50 31.29 2jtc s PRO 62 CO 0.00 -2.52 1.89 -0.91 0.04 0.00 0.00 177.00 175.51 2jtc h ASN 63 N 14.83 0.00 -4.00 6.66 4.21 -1.84 -3.39 115.58 132.05 2jtc h ASN 63 Ca -0.28 0.00 -0.33 0.00 1.21 0.00 0.00 56.30 56.89 2jtc h ASN 63 Cb 1.18 0.00 -0.28 0.00 -1.12 0.00 0.00 38.32 38.10 2jtc h ASN 63 CO 1.15 0.15 -0.76 -0.75 -1.29 0.00 0.00 177.43 175.93 2jtc s LYS 64 N -3.70 0.49 0.67 0.81 2.20 -1.26 0.17 119.74 119.12 2jtc s LYS 64 Ca 0.00 -0.26 -0.17 0.00 -0.36 0.00 0.00 55.97 55.18 2jtc s LYS 64 Cb 0.10 -0.46 -0.00 0.00 -1.51 0.00 0.00 37.83 35.96 2jtc s LYS 64 CO 0.60 0.12 1.18 0.41 -0.36 0.00 0.00 175.35 177.31 2jtc n GLY 65 N 2.81 0.19 0.12 5.54 0.00 -1.07 -4.89 105.19 107.90 2jtc n GLY 65 Ca -0.14 -0.22 -0.22 0.00 0.00 0.00 0.00 46.02 45.45 2jtc n GLY 65 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2jtc h LEU 66 N 0.23 0.27 -7.29 0.99 6.46 -1.55 -3.37 115.31 111.04 2jtc h LEU 66 Ca -0.49 -0.78 -0.11 0.00 -0.12 0.00 0.00 57.88 56.37 2jtc h LEU 66 Cb 1.34 -0.09 -0.23 0.00 -0.73 0.00 0.00 40.66 40.95 2jtc h LEU 66 CO 0.51 1.67 -0.18 -0.75 -0.62 0.00 0.00 178.44 179.07 2jtc s LYS 67 N -2.47 0.59 0.96 1.25 2.20 -1.21 -4.49 119.74 116.57 2jtc s LYS 67 Ca -0.24 0.47 -0.11 0.00 -0.36 0.00 0.00 55.97 55.73 2jtc s LYS 67 Cb 0.06 0.28 0.17 0.00 -1.51 0.00 0.00 37.83 36.82 2jtc s LYS 67 CO 0.71 -0.10 1.09 -0.51 -0.36 0.00 0.00 175.35 176.18 2jtc s ASP 68 N -0.12 2.77 -0.01 1.43 1.11 -1.26 -3.25 116.67 117.34 2jtc s ASP 68 Ca -0.03 1.70 -0.06 0.00 0.18 0.00 0.00 52.55 54.34 2jtc s ASP 68 Cb -0.03 -2.33 0.00 0.00 1.07 0.00 0.00 42.92 41.63 2jtc s ASP 68 CO 0.02 -3.11 0.11 -0.47 1.18 0.00 0.00 175.17 172.90 2jtc s TYR 69 N -2.74 0.02 0.19 4.23 6.14 -0.21 -4.82 117.35 120.16 2jtc s TYR 69 Ca 0.65 -0.05 -0.12 0.00 0.64 0.00 0.00 57.07 58.19 2jtc s TYR 69 Cb -0.21 -0.04 0.00 0.00 0.42 0.00 0.00 41.96 42.13 2jtc s TYR 69 CO 0.59 -0.21 0.38 -0.08 0.64 0.00 0.00 175.55 176.86 2jtc s THR 70 N -0.99 0.04 -0.13 4.34 -1.32 -1.26 0.13 115.64 116.44 2jtc s THR 70 Ca -0.11 -1.26 -0.32 0.00 -1.21 0.00 0.00 61.69 58.80 2jtc s THR 70 Cb -0.06 -1.86 0.13 0.00 -1.51 0.00 0.00 72.50 69.20 2jtc s THR 70 CO 0.01 -0.19 1.08 -0.72 -2.21 0.00 0.00 174.62 172.58 2jtc s TYR 71 N -3.96 -0.24 -0.11 9.09 1.13 -0.29 -4.95 117.35 118.02 2jtc s TYR 71 Ca 0.17 0.24 -0.17 0.00 -1.41 0.00 0.00 57.07 55.90 2jtc s TYR 71 Cb 0.02 0.51 -0.05 0.00 -1.10 0.00 0.00 41.96 41.34 2jtc s TYR 71 CO 0.01 -0.32 0.42 0.99 -2.51 0.00 0.00 175.55 174.14 2jtc s THR 72 N -2.24 5.20 0.54 -3.49 2.01 -1.26 -0.24 115.64 116.16 2jtc s THR 72 Ca 0.06 0.84 -0.18 0.00 0.31 0.00 0.00 61.69 62.71 2jtc s THR 72 Cb -0.01 -3.76 -0.11 0.00 0.01 0.00 0.00 72.50 68.63 2jtc s THR 72 CO -0.05 0.38 0.22 -0.11 -0.69 0.00 0.00 174.62 174.37 2jtc n LEU 73 N 3.40 -1.28 -4.77 4.42 7.94 0.40 -4.83 117.00 122.28 2jtc n LEU 73 Ca -0.09 0.70 -0.41 0.00 -1.11 0.00 0.00 56.01 55.09 2jtc n LEU 73 Cb 0.52 -1.02 -0.01 0.00 0.53 0.00 0.00 43.42 43.44 2jtc n LEU 73 CO 0.42 -3.86 1.12 -0.94 -1.11 0.00 0.00 177.39 173.02 2jtc s SER 74 N -1.10 6.42 0.00 1.96 1.04 -1.26 -4.82 113.70 115.93 2jtc s SER 74 Ca 0.63 2.98 0.11 0.00 0.48 0.00 0.00 55.95 60.15 2jtc s SER 74 Cb -0.47 -2.66 0.57 0.00 0.10 0.00 0.00 66.02 63.56 2jtc s SER 74 CO 0.60 -0.82 1.22 -1.54 0.98 0.00 0.00 173.24 173.68 2jtc n SER 75 N 0.70 0.00 -0.22 7.02 3.41 -1.26 -1.34 113.62 121.93 2jtc n SER 75 Ca 0.02 0.06 0.11 0.00 -0.26 0.00 0.00 58.87 58.79 2jtc n SER 75 Cb 0.39 -0.24 0.03 0.00 -0.26 0.00 0.00 64.21 64.13 2jtc n SER 75 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2jtc n ASN 76 N -1.24 1.33 -4.59 4.04 3.02 -1.26 -4.87 115.26 111.69 2jtc n ASN 76 Ca 0.06 -1.09 -0.42 0.00 -0.03 0.00 0.00 54.58 53.09 2jtc n ASN 76 Cb 0.08 0.61 -0.03 0.00 -0.61 0.00 0.00 39.78 39.83 2jtc n ASN 76 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2jtc s ASN 77 N -2.74 5.93 -0.06 6.41 3.84 -0.45 -4.84 114.94 123.02 2jtc s ASN 77 Ca 0.14 1.05 0.08 0.00 0.21 0.00 0.00 52.86 54.35 2jtc s ASN 77 Cb 0.17 -2.53 0.35 0.00 -0.55 0.00 0.00 41.25 38.70 2jtc s ASN 77 CO 0.69 -1.73 1.16 -0.81 -2.79 0.00 0.00 177.10 173.63 2jtc n PRO 78 N 8.44 2.40 -0.03 0.43 -0.04 -1.26 -3.97 135.00 140.97 2jtc n PRO 78 Ca 0.21 -1.39 0.01 0.00 -0.04 0.00 0.00 63.50 62.29 2jtc n PRO 78 Cb 0.48 -1.61 -0.11 0.00 -0.04 0.00 0.00 33.50 32.21 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 0.39 0.00 -4.42 0.54 4.01 -1.26 -3.41 117.16 113.01 2jtc n TYR 79 Ca 0.12 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.62 2jtc n TYR 79 Cb 0.53 -0.49 -0.09 0.00 -0.31 0.00 0.00 39.34 38.97 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 -2.72 2.47 0.00 -0.72 0.40 -1.25 0.19 117.98 116.35 2jtc s PHE 80 Ca -0.06 -0.43 0.00 0.00 -0.60 0.00 0.00 56.93 55.84 2jtc s PHE 80 Cb 0.07 -1.36 0.00 0.00 0.51 0.00 0.00 43.02 42.24 2jtc s PHE 80 CO 0.59 0.56 0.50 0.09 0.70 0.00 0.00 175.22 177.66 2jtc n ASN 81 N -0.85 0.00 0.00 1.36 3.02 -1.26 -4.91 115.26 112.62 2jtc n ASN 81 Ca -0.05 0.50 0.00 0.00 -0.03 0.00 0.00 54.58 55.00 2jtc n ASN 81 Cb 0.62 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.79 2jtc n ASN 81 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2jtc n HIS 82 N -0.79 0.00 -0.97 3.10 8.25 -1.26 -4.94 115.22 118.61 2jtc n HIS 82 Ca 0.00 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.23 2jtc n HIS 82 Cb 0.00 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.04 2jtc n HIS 82 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2jtc n PRO 83 N 0.00 2.46 -3.58 -0.41 -0.04 -1.26 -4.23 135.00 127.94 2jtc n PRO 83 Ca 0.00 -1.45 -0.41 0.00 -0.04 0.00 0.00 63.50 61.61 2jtc n PRO 83 Cb 0.00 -2.34 -0.10 0.00 -0.04 0.00 0.00 33.50 31.02 2jtc n PRO 83 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2jtc s LYS 84 N 2.12 2.64 -0.10 0.54 2.47 -1.26 -4.96 119.74 121.19 2jtc s LYS 84 Ca 0.57 -1.44 -0.06 0.00 -1.56 0.00 0.00 55.97 53.47 2jtc s LYS 84 Cb 0.20 -3.81 -0.04 0.00 -1.46 0.00 0.00 37.83 32.71 2jtc s LYS 84 CO -0.03 -0.96 0.14 -0.80 0.16 0.00 0.00 175.35 173.87 2jtc s ASN 85 N 2.16 6.36 0.05 1.43 0.02 -1.26 0.15 114.94 123.85 2jtc s ASN 85 Ca 0.03 0.44 0.07 0.00 -1.02 0.00 0.00 52.86 52.38 2jtc s ASN 85 Cb -0.23 -2.05 -0.03 0.00 0.02 0.00 0.00 41.25 38.96 2jtc s ASN 85 CO 0.03 0.39 -0.16 -0.76 0.02 0.00 0.00 177.10 176.61 2jtc s LEU 86 N -1.17 2.72 -0.04 0.60 1.02 0.67 -4.92 118.68 117.56 2jtc s LEU 86 Ca 0.17 -0.40 0.00 0.00 0.02 0.00 0.00 54.13 53.92 2jtc s LEU 86 Cb -0.12 -1.59 0.03 0.00 0.02 0.00 0.00 46.19 44.53 2jtc s LEU 86 CO 0.06 0.25 -0.01 0.12 0.02 0.00 0.00 176.35 176.79 2jtc s PHE 87 N -0.98 0.44 -0.33 0.29 2.19 -1.26 -1.14 117.98 117.19 2jtc s PHE 87 Ca 0.16 -0.05 -0.07 0.00 0.33 0.00 0.00 56.93 57.29 2jtc s PHE 87 Cb -0.11 -0.51 0.03 0.00 -1.31 0.00 0.00 43.02 41.12 2jtc s PHE 87 CO 0.07 -0.17 0.11 0.00 1.83 0.00 0.00 175.22 177.06 2jtc s ALA 88 N 1.13 3.09 -0.36 11.12 0.00 0.34 -4.95 121.76 132.13 2jtc s ALA 88 Ca -0.08 -1.63 -0.05 0.00 0.00 0.00 0.00 51.96 50.20 2jtc s ALA 88 Cb -0.14 -2.27 -0.13 0.00 0.00 0.00 0.00 23.12 20.58 2jtc s ALA 88 CO -0.02 -1.19 2.42 0.00 0.00 0.00 0.00 175.76 176.98 2jtc n ALA 89 N 4.86 4.71 0.01 0.00 0.00 -1.26 -1.04 120.51 127.80 2jtc n ALA 89 Ca -0.13 -1.55 -0.10 0.00 0.00 0.00 0.00 53.44 51.66 2jtc n ALA 89 Cb 0.46 -2.56 -0.04 0.00 0.00 0.00 0.00 19.45 17.31 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 2.70 0.37 -0.90 0.00 2.04 -1.88 0.37 117.51 120.21 2jtc h ILE 90 Ca 0.27 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.39 2jtc h ILE 90 Cb 0.70 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 37.11 2jtc h ILE 90 CO 0.73 0.00 0.93 0.77 0.00 0.00 0.00 178.15 180.58 2jtc h SER 91 N -0.36 0.00 -0.55 1.72 4.64 -1.71 2.15 113.55 119.44 2jtc h SER 91 Ca 0.09 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.09 2jtc h SER 91 Cb 0.50 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 62.39 2jtc h SER 91 CO -0.31 0.00 0.01 0.35 -0.87 0.00 0.00 176.83 176.02 2jtc n THR 92 N -3.54 2.75 -3.37 2.95 -2.24 0.12 -4.41 114.28 106.54 2jtc n THR 92 Ca 0.19 -2.87 -0.29 0.00 -2.27 0.00 0.00 64.05 58.81 2jtc n THR 92 Cb 1.22 -0.53 -0.03 0.00 -2.10 0.00 0.00 70.33 68.89 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 -3.37 3.64 -0.54 -0.78 1.81 0.73 -4.91 118.95 115.52 2jtc s ARG 93 Ca 0.49 0.00 0.02 0.00 -1.72 0.00 0.00 55.73 54.52 2jtc s ARG 93 Cb 0.43 -2.66 0.14 0.00 -0.45 0.00 0.00 34.95 32.41 2jtc s ARG 93 CO 0.01 0.24 0.31 -0.65 -0.68 0.00 0.00 175.30 174.53 2jtc s GLN 94 N -3.47 2.15 -1.15 3.54 -1.52 -1.26 -2.60 119.66 115.35 2jtc s GLN 94 Ca 0.44 -2.53 -0.20 0.00 -1.95 0.00 0.00 55.36 51.11 2jtc s GLN 94 Cb -0.11 -3.46 0.07 0.00 -0.22 0.00 0.00 33.01 29.29 2jtc s GLN 94 CO 0.29 -1.12 1.57 0.71 -0.25 0.00 0.00 175.29 176.49 2jtc s TYR 95 N -0.12 2.71 -1.03 0.91 2.02 0.45 -4.91 117.35 117.39 2jtc s TYR 95 Ca 0.16 -1.28 -0.23 0.00 -0.37 0.00 0.00 57.07 55.36 2jtc s TYR 95 Cb -0.24 -4.69 0.04 0.00 -0.40 0.00 0.00 41.96 36.67 2jtc s TYR 95 CO -0.02 -1.84 1.52 1.21 -1.57 0.00 0.00 175.55 174.86 2jtc s ASN 96 N 4.49 6.37 0.00 2.29 2.47 -1.26 -4.46 114.94 124.83 2jtc s ASN 96 Ca 0.49 -1.43 0.02 0.00 0.42 0.00 0.00 52.86 52.36 2jtc s ASN 96 Cb 0.01 -2.57 0.11 0.00 -1.45 0.00 0.00 41.25 37.35 2jtc s ASN 96 CO -0.01 -1.63 0.84 0.79 -3.72 0.00 0.00 177.10 173.37 2jtc n TRP 97 N 9.42 0.00 0.51 0.43 7.02 -1.26 -0.16 117.44 133.39 2jtc n TRP 97 Ca 0.35 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.95 2jtc n TRP 97 Cb 0.50 -0.25 0.13 0.00 -2.42 0.00 0.00 31.31 29.27 2jtc n TRP 97 CO 0.00 0.00 0.00 -0.97 -2.02 0.00 0.00 177.69 174.70 2jtc h ASN 98 N 0.00 0.00 0.02 -0.99 -0.73 -2.01 -3.32 115.58 108.54 2jtc h ASN 98 Ca 0.00 -0.20 -0.37 0.00 1.87 0.00 0.00 56.30 57.60 2jtc h ASN 98 Cb 0.02 0.00 -0.07 0.00 0.27 0.00 0.00 38.32 38.54 2jtc h ASN 98 CO 0.00 0.10 -2.37 0.59 -0.37 0.00 0.00 177.43 175.38 2jtc n ASN 99 N -2.18 0.18 -3.55 1.15 4.13 0.77 -4.62 115.26 111.14 2jtc n ASN 99 Ca 0.03 0.00 -0.39 0.00 1.68 0.00 0.00 54.58 55.90 2jtc n ASN 99 Cb 0.45 0.86 -0.03 0.00 -1.54 0.00 0.00 39.78 39.52 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 -2.80 2.49 -1.44 2.41 5.41 -0.83 -4.51 119.36 120.10 2jtc n ILE 100 Ca -0.33 -1.98 -0.39 0.00 1.00 0.00 0.00 62.75 61.04 2jtc n ILE 100 Cb 1.14 -2.38 0.03 0.00 -0.71 0.00 0.00 39.64 37.72 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 6.32 0.12 0.16 1.39 4.77 -1.26 -4.86 117.00 123.64 2jtc n LEU 101 Ca 0.51 0.78 0.13 0.00 -0.03 0.00 0.00 56.01 57.40 2jtc n LEU 101 Cb 0.34 -1.13 0.31 0.00 -2.33 0.00 0.00 43.42 40.61 2jtc n LEU 101 CO 0.94 -3.17 0.85 1.55 -1.33 0.00 0.00 177.39 176.23 2jtc h PRO 102 N 0.38 0.00 -2.81 3.23 0.13 -1.85 -3.44 132.00 127.65 2jtc h PRO 102 Ca -0.44 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.51 2jtc h PRO 102 Cb 1.40 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.23 2jtc h PRO 102 CO 0.48 0.00 -0.47 -0.08 -0.23 0.00 0.00 178.00 177.70 2jtc s THR 103 N -3.18 -0.34 -0.00 1.56 -1.32 -1.21 0.26 115.64 111.42 2jtc s THR 103 Ca 0.08 0.21 0.03 0.00 -1.21 0.00 0.00 61.69 60.81 2jtc s THR 103 Cb 0.09 -0.49 -0.03 0.00 -1.51 0.00 0.00 72.50 70.55 2jtc s THR 103 CO 0.62 0.09 -0.06 -0.31 -2.21 0.00 0.00 174.62 172.75 2jtc s TYR 104 N 2.11 2.90 -2.66 9.09 1.51 -1.25 -4.96 117.35 124.08 2jtc s TYR 104 Ca -0.03 -0.03 0.23 0.00 -1.01 0.00 0.00 57.07 56.23 2jtc s TYR 104 Cb -0.11 -1.61 0.31 0.00 -0.11 0.00 0.00 41.96 40.43 2jtc s TYR 104 CO -0.10 0.37 1.32 -1.13 -1.11 0.00 0.00 175.55 174.91 2jtc n SER 105 N 1.58 3.22 0.00 2.29 3.41 -1.26 -4.91 113.62 117.94 2jtc n SER 105 Ca -0.15 -1.98 0.00 0.00 -0.26 0.00 0.00 58.87 56.47 2jtc n SER 105 Cb 0.53 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 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 1.40 0.93 0.00 5.00 0.00 -1.26 -4.80 105.19 106.46 2jtc n GLY 106 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.07 0.14 -0.98 1.61 1.74 -1.26 -4.94 116.66 110.90 2jtc n ARG 107 Ca 0.00 -0.78 -0.29 0.00 -0.77 0.00 0.00 57.85 56.01 2jtc n ARG 107 Cb 0.00 -1.00 0.20 0.00 -1.02 0.00 0.00 32.46 30.64 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 -0.28 0.07 1.31 5.56 8.01 -1.26 -5.00 118.70 127.10 2jtc s GLU 108 Ca 0.00 0.64 -0.20 0.00 0.01 0.00 0.00 54.97 55.42 2jtc s GLU 108 Cb 0.00 -1.68 0.33 0.00 -4.31 0.00 0.00 34.13 28.46 2jtc s GLU 108 CO 0.00 -3.01 1.01 0.45 0.01 0.00 0.00 175.26 173.72 2jtc s SER 109 N -3.16 -0.07 0.03 -0.19 0.15 -1.26 -4.87 113.70 104.32 2jtc s SER 109 Ca 0.66 0.82 -0.06 0.00 0.70 0.00 0.00 55.95 58.07 2jtc s SER 109 Cb -0.20 -1.17 -0.30 0.00 -1.71 0.00 0.00 66.02 62.64 2jtc s SER 109 CO 0.60 -4.76 0.97 0.78 1.20 0.00 0.00 173.24 172.03 2jtc h ASN 110 N -3.01 0.50 0.04 5.45 4.21 -1.97 -2.96 115.58 117.83 2jtc h ASN 110 Ca -0.46 -0.60 0.03 0.00 1.21 0.00 0.00 56.30 56.48 2jtc h ASN 110 Cb 1.32 -0.16 -0.05 0.00 -1.12 0.00 0.00 38.32 38.31 2jtc h ASN 110 CO 0.33 1.49 -0.40 0.58 -1.29 0.00 0.00 177.43 178.13 2jtc h VAL 111 N 0.09 0.18 -0.65 2.81 2.07 -1.99 1.68 116.25 120.44 2jtc h VAL 111 Ca -0.21 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 2jtc h VAL 111 Cb 2.03 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.95 2jtc h VAL 111 CO 0.20 0.00 0.22 1.56 0.02 0.00 0.00 177.57 179.57 2jtc h GLN 112 N -0.58 0.97 -0.70 1.57 7.50 -1.79 -2.01 115.11 120.07 2jtc h GLN 112 Ca 0.04 -0.18 -0.05 0.00 0.50 0.00 0.00 58.65 58.96 2jtc h GLN 112 Cb 0.65 -0.16 -0.03 0.00 0.05 0.00 0.00 27.48 27.99 2jtc h GLN 112 CO -0.29 0.82 0.22 0.87 -1.50 0.00 0.00 178.83 178.95 2jtc h LYS 113 N 0.95 1.08 -0.93 1.46 1.57 -0.99 -2.27 116.57 117.42 2jtc h LYS 113 Ca 0.22 -0.22 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 2jtc h LYS 113 Cb 0.23 -0.16 -0.05 0.00 0.08 0.00 0.00 32.23 32.33 2jtc h LYS 113 CO -0.01 0.92 0.61 1.98 -0.57 0.00 0.00 179.45 182.37 2jtc h MET 114 N 1.04 1.15 0.30 3.15 4.05 0.32 -0.07 114.93 124.86 2jtc h MET 114 Ca 0.23 -0.07 -0.00 0.00 -0.28 0.00 0.00 59.70 59.58 2jtc h MET 114 Cb 0.29 -0.26 -0.01 0.00 -0.80 0.00 0.00 31.60 30.82 2jtc h MET 114 CO -0.01 0.76 -0.24 0.00 0.23 0.00 0.00 176.91 177.64 2jtc h ALA 115 N 1.38 -0.55 -0.41 0.39 0.00 -1.00 -0.59 119.26 118.49 2jtc h ALA 115 Ca 0.37 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 55.06 2jtc h ALA 115 Cb -0.01 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2jtc h ALA 115 CO -0.12 -0.83 -0.26 0.97 0.00 0.00 0.00 179.25 179.01 2jtc h ILE 116 N -0.56 1.27 -0.70 0.00 6.09 -1.38 -2.21 117.51 120.03 2jtc h ILE 116 Ca -0.02 -1.41 0.06 0.00 -1.37 0.00 0.00 64.86 62.12 2jtc h ILE 116 Cb 0.49 1.23 -0.06 0.00 0.47 0.00 0.00 36.82 38.96 2jtc h ILE 116 CO -0.02 0.47 0.40 0.77 -3.07 0.00 0.00 178.15 176.70 2jtc h SER 117 N 0.73 0.59 -0.11 2.19 4.64 -0.80 0.34 113.55 121.13 2jtc h SER 117 Ca 0.09 0.03 -0.15 0.00 -0.47 0.00 0.00 61.79 61.29 2jtc h SER 117 Cb 0.81 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.80 2jtc h SER 117 CO 0.07 0.38 -0.44 -0.08 -0.87 0.00 0.00 176.83 175.89 2jtc h GLU 118 N 0.73 0.66 0.17 4.77 4.81 -0.97 -1.70 114.58 123.05 2jtc h GLU 118 Ca 0.31 -0.36 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 2jtc h GLU 118 Cb 0.19 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.59 2jtc h GLU 118 CO -0.18 0.97 -0.08 1.25 -0.73 0.00 0.00 179.01 180.23 2jtc h LEU 119 N 0.53 -0.20 -0.19 1.64 5.85 -0.66 0.55 115.31 122.84 2jtc h LEU 119 Ca 0.04 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 2jtc h LEU 119 Cb 0.97 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 2jtc h LEU 119 CO 0.09 -0.01 0.12 0.24 -0.34 0.00 0.00 178.44 178.54 2jtc h MET 120 N -0.38 0.25 -0.58 1.25 0.00 -0.95 0.53 114.93 115.05 2jtc h MET 120 Ca -0.02 -0.02 -0.08 0.00 0.00 0.00 0.00 59.70 59.57 2jtc h MET 120 Cb 0.30 -0.05 -0.02 0.00 0.00 0.00 0.00 31.60 31.82 2jtc h MET 120 CO 0.04 0.20 0.04 0.00 0.00 0.00 0.00 176.91 177.20 2jtc h ALA 121 N 1.04 0.98 -0.65 6.32 0.00 -1.23 2.02 119.26 127.73 2jtc h ALA 121 Ca 0.07 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 2jtc h ALA 121 Cb 0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 2jtc h ALA 121 CO -0.01 0.63 0.21 -0.44 0.00 0.00 0.00 179.25 179.64 2jtc h ASP 122 N 0.91 0.94 0.40 0.00 3.32 0.58 0.69 116.42 123.26 2jtc h ASP 122 Ca 0.17 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 2jtc h ASP 122 Cb 0.47 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.78 2jtc h ASP 122 CO 0.02 0.90 -0.19 0.58 -1.72 0.00 0.00 179.24 178.82 2jtc h VAL 123 N 0.94 0.12 -0.78 -1.35 2.07 0.82 0.84 116.25 118.90 2jtc h VAL 123 Ca 0.21 -0.64 0.18 0.00 0.82 0.00 0.00 66.70 67.27 2jtc h VAL 123 Cb 0.29 0.20 -0.14 0.00 -1.52 0.00 0.00 31.29 30.12 2jtc h VAL 123 CO -0.01 0.03 0.02 1.23 0.02 0.00 0.00 177.57 178.86 2jtc h GLY 124 N -1.11 0.89 0.82 2.17 0.00 0.32 0.19 103.07 106.37 2jtc h GLY 124 Ca -0.05 0.10 -0.03 0.00 0.00 0.00 0.00 47.33 47.35 2jtc h GLY 124 CO 0.09 -0.30 -0.25 -2.22 0.00 0.00 0.00 176.54 173.86 2jtc h ILE 125 N 0.11 0.44 -1.39 2.60 2.04 -0.89 1.16 117.51 121.58 2jtc h ILE 125 Ca 0.43 -0.28 0.40 0.00 1.00 0.00 0.00 64.86 66.41 2jtc h ILE 125 Cb 0.77 0.56 -0.06 0.00 -0.74 0.00 0.00 36.82 37.35 2jtc h ILE 125 CO -0.68 0.04 1.01 0.77 0.00 0.00 0.00 178.15 179.29 2jtc h SER 126 N -0.87 0.00 -0.89 1.72 4.64 0.17 1.17 113.55 119.49 2jtc h SER 126 Ca -0.07 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.65 2jtc h SER 126 Cb 0.60 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 62.37 2jtc h SER 126 CO 0.12 0.00 0.36 1.33 -0.87 0.00 0.00 176.83 177.77 2jtc n VAL 127 N -4.09 3.24 -4.04 0.95 0.24 0.43 -4.67 118.33 110.39 2jtc n VAL 127 Ca 0.30 -3.15 -0.27 0.00 -2.04 0.00 0.00 64.34 59.18 2jtc n VAL 127 Cb 1.45 -1.03 -0.08 0.00 -1.47 0.00 0.00 33.84 32.71 2jtc n VAL 127 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2jtc n ASP 128 N -0.90 0.49 -4.71 -1.34 5.75 0.40 -4.05 116.55 112.19 2jtc n ASP 128 Ca 0.56 -1.09 -0.42 0.00 -0.01 0.00 0.00 54.79 53.83 2jtc n ASP 128 Cb 0.86 -1.35 -0.03 0.00 -1.03 0.00 0.00 41.12 39.57 2jtc n ASP 128 CO 0.00 0.00 0.00 0.80 -0.11 0.00 0.00 177.20 177.89 2jtc n MET 129 N -4.07 2.78 -2.45 0.11 1.56 0.40 -4.59 117.12 110.86 2jtc n MET 129 Ca -0.27 1.01 -0.42 0.00 -0.27 0.00 0.00 57.70 57.75 2jtc n MET 129 Cb 0.58 -2.87 -0.03 0.00 2.15 0.00 0.00 33.22 33.06 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 1.78 7.02 -0.34 6.12 2.15 0.72 -4.85 116.67 129.27 2jtc s ASP 130 Ca 0.78 1.78 -0.11 0.00 0.43 0.00 0.00 52.55 55.43 2jtc s ASP 130 Cb -0.50 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.57 2jtc s ASP 130 CO 0.34 -0.63 0.19 -0.31 -0.17 0.00 0.00 175.17 174.59 2jtc s TYR 131 N 2.57 3.20 0.00 -5.34 2.02 -1.26 -2.10 117.35 116.44 2jtc s TYR 131 Ca 0.56 -0.59 0.00 0.00 -0.37 0.00 0.00 57.07 56.66 2jtc s TYR 131 Cb -0.24 -2.41 0.00 0.00 -0.40 0.00 0.00 41.96 38.91 2jtc s TYR 131 CO 0.20 -0.49 0.00 0.41 -1.57 0.00 0.00 175.55 174.10 2jtc n GLY 132 N 5.02 3.61 0.24 0.71 0.00 -1.26 -4.80 105.19 108.70 2jtc n GLY 132 Ca -0.13 -1.18 0.07 0.00 0.00 0.00 0.00 46.02 44.78 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 -6.07 1.61 0.13 -1.90 -2.45 132.00 123.32 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 0.11 -0.68 -1.12 -0.23 0.00 0.00 178.00 176.08 2jtc s SER 134 N -6.92 4.76 -0.27 1.44 0.01 -1.26 -4.06 113.70 107.40 2jtc s SER 134 Ca -0.04 0.00 0.03 0.00 1.31 0.00 0.00 55.95 57.25 2jtc s SER 134 Cb 0.16 -1.25 0.06 0.00 0.21 0.00 0.00 66.02 65.20 2jtc s SER 134 CO 0.67 0.36 -0.08 -0.44 0.41 0.00 0.00 173.24 174.15 2jtc s SER 135 N -0.77 4.52 -0.03 2.44 0.01 -1.26 -4.64 113.70 113.97 2jtc s SER 135 Ca 0.12 -1.45 0.01 0.00 1.31 0.00 0.00 55.95 55.94 2jtc s SER 135 Cb -0.11 -1.57 -0.03 0.00 0.21 0.00 0.00 66.02 64.51 2jtc s SER 135 CO 0.02 -0.21 -0.01 -0.83 0.41 0.00 0.00 173.24 172.61 2jtc s GLY 136 N 1.11 1.84 0.00 3.44 0.00 -0.89 -3.61 107.32 109.20 2jtc s GLY 136 Ca -0.07 -0.91 0.00 0.00 0.00 0.00 0.00 44.72 43.74 2jtc s GLY 136 CO -0.05 -0.74 0.00 -1.26 0.00 0.00 0.00 173.10 171.05 2jtc n SER 137 N 1.69 1.64 -0.08 1.64 2.88 -1.26 0.26 113.62 120.39 2jtc n SER 137 Ca -0.16 -0.28 -0.22 0.00 -1.33 0.00 0.00 58.87 56.88 2jtc n SER 137 Cb 0.53 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.87 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 0.85 0.00 -1.46 0.00 -1.26 -2.96 120.51 112.69 2jtc n ALA 138 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.87 2jtc n ALA 138 Cb 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 18.92 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 1.56 0.30 0.28 0.00 0.00 -1.26 -2.05 105.19 104.02 2jtc n GLY 139 Ca -0.34 -1.49 -0.07 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.81 -1.16 1.61 0.02 -1.92 0.16 113.55 111.45 2jtc h SER 140 Ca 0.00 0.16 0.33 0.00 -0.84 0.00 0.00 61.79 61.43 2jtc h SER 140 Cb 0.00 0.40 -0.08 0.00 0.14 0.00 0.00 62.40 62.85 2jtc h SER 140 CO 0.00 -0.27 0.78 0.77 -1.14 0.00 0.00 176.83 176.97 2jtc h SER 141 N -0.21 0.24 0.05 3.07 4.64 -1.96 1.18 113.55 120.55 2jtc h SER 141 Ca 0.16 0.06 -0.07 0.00 -0.47 0.00 0.00 61.79 61.47 2jtc h SER 141 Cb 0.47 0.02 0.01 0.00 -0.31 0.00 0.00 62.40 62.59 2jtc h SER 141 CO -0.45 0.01 -0.32 0.03 -0.87 0.00 0.00 176.83 175.23 2jtc h ARG 142 N 0.20 0.10 0.43 4.77 2.47 -1.27 -2.86 114.38 118.20 2jtc h ARG 142 Ca 0.63 -0.16 -0.02 0.00 -1.26 0.00 0.00 59.98 59.16 2jtc h ARG 142 Cb 2.00 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 30.39 2jtc h ARG 142 CO -0.20 1.08 -0.21 0.28 0.56 0.00 0.00 179.97 181.48 2jtc h VAL 143 N -0.80 0.44 -0.61 2.04 2.07 0.19 1.92 116.25 121.50 2jtc h VAL 143 Ca -0.06 -0.53 0.10 0.00 0.82 0.00 0.00 66.70 67.03 2jtc h VAL 143 Cb 1.22 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.60 2jtc h VAL 143 CO 0.04 0.08 0.41 0.06 0.02 0.00 0.00 177.57 178.17 2jtc h GLN 144 N -0.94 0.38 0.02 1.57 -0.00 0.11 1.88 115.11 118.13 2jtc h GLN 144 Ca -0.06 -0.02 -0.06 0.00 -0.00 0.00 0.00 58.65 58.51 2jtc h GLN 144 Cb 0.56 -0.09 0.01 0.00 -0.00 0.00 0.00 27.48 27.96 2jtc h GLN 144 CO 0.10 0.25 -0.23 -0.09 -0.00 0.00 0.00 178.83 178.86 2jtc h ARG 145 N 0.39 0.12 -0.27 0.06 2.43 -1.27 -3.18 114.38 112.66 2jtc h ARG 145 Ca 0.28 -0.16 -0.13 0.00 -0.81 0.00 0.00 59.98 59.17 2jtc h ARG 145 Cb 0.59 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 2jtc h ARG 145 CO -0.08 0.97 -0.35 0.00 -1.51 0.00 0.00 179.97 178.99 2jtc h ALA 146 N 0.17 0.87 -0.47 2.80 0.00 0.40 0.19 119.26 123.22 2jtc h ALA 146 Ca -0.03 -0.42 0.04 0.00 0.00 0.00 0.00 54.91 54.50 2jtc h ALA 146 Cb 1.06 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 2jtc h ALA 146 CO 0.04 0.63 0.22 -0.07 0.00 0.00 0.00 179.25 180.08 2jtc h LEU 147 N 0.51 0.31 0.10 0.00 3.38 0.28 0.17 115.31 120.05 2jtc h LEU 147 Ca 0.05 0.03 -0.28 0.00 0.09 0.00 0.00 57.88 57.77 2jtc h LEU 147 Cb 0.85 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 2jtc h LEU 147 CO 0.07 0.22 -1.47 0.11 0.09 0.00 0.00 178.44 177.46 2jtc h LYS 148 N 0.44 0.21 0.03 1.13 1.57 -1.52 0.56 116.57 119.00 2jtc h LYS 148 Ca 0.21 -0.36 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 2jtc h LYS 148 Cb 0.14 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.58 2jtc h LYS 148 CO -0.16 1.17 -0.01 0.93 -0.57 0.00 0.00 179.45 180.81 2jtc h GLU 149 N -0.34 -0.04 0.07 3.15 5.08 -0.61 -1.35 114.58 120.53 2jtc h GLU 149 Ca -0.33 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 57.76 2jtc h GLU 149 Cb 1.73 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.97 2jtc h GLU 149 CO 0.03 0.42 -1.47 -0.91 -1.00 0.00 0.00 179.01 176.08 2jtc h ASN 150 N -0.50 0.22 -0.54 1.42 -0.26 -0.91 -3.36 115.58 111.64 2jtc h ASN 150 Ca -0.00 -0.74 0.00 0.00 -0.56 0.00 0.00 56.30 55.00 2jtc h ASN 150 Cb 0.47 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 37.66 2jtc h ASN 150 CO 0.01 1.61 0.00 0.49 -1.06 0.00 0.00 177.43 178.48 2jtc n PHE 151 N -4.04 1.71 -3.31 1.19 3.72 -0.08 -1.89 117.46 114.76 2jtc n PHE 151 Ca -0.29 -0.71 -0.24 0.00 -0.05 0.00 0.00 57.45 56.15 2jtc n PHE 151 Cb 0.84 -0.40 -0.05 0.00 -0.94 0.00 0.00 39.48 38.93 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 0.58 -0.21 3.63 1.37 0.00 -0.25 -4.64 105.19 105.66 2jtc n GLY 152 Ca 0.26 0.05 -0.30 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 -2.48 1.75 0.44 1.61 1.51 0.18 -4.85 117.35 115.50 2jtc s TYR 153 Ca 0.43 1.45 -0.22 0.00 -1.01 0.00 0.00 57.07 57.72 2jtc s TYR 153 Cb -0.25 -3.20 -0.12 0.00 -0.11 0.00 0.00 41.96 38.28 2jtc s TYR 153 CO 0.60 -3.02 0.61 -1.71 -1.11 0.00 0.00 175.55 170.92 2jtc n ASN 154 N -4.35 -0.60 0.30 2.29 2.85 0.36 -4.62 115.26 111.50 2jtc n ASN 154 Ca 0.08 0.91 0.14 0.00 -0.11 0.00 0.00 54.58 55.60 2jtc n ASN 154 Cb 0.54 -1.15 0.76 0.00 1.24 0.00 0.00 39.78 41.16 2jtc n ASN 154 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 2jtc h GLN 155 N 0.84 0.00 0.00 1.20 5.75 -1.89 0.19 115.11 121.20 2jtc h GLN 155 Ca -0.41 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.09 2jtc h GLN 155 Cb 1.39 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.94 2jtc h GLN 155 CO 0.52 0.00 0.18 -1.13 -2.65 0.00 0.00 178.83 175.74 2jtc n SER 156 N -2.74 0.45 -4.67 -0.69 3.41 -1.26 -4.51 113.62 103.61 2jtc n SER 156 Ca -0.02 0.65 -0.42 0.00 -0.26 0.00 0.00 58.87 58.82 2jtc n SER 156 Cb 0.34 -0.65 -0.03 0.00 -0.26 0.00 0.00 64.21 63.61 2jtc n SER 156 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2jtc s VAL 157 N -3.44 3.55 0.31 -3.33 1.01 0.05 -4.42 120.40 114.13 2jtc s VAL 157 Ca -0.02 0.77 -0.04 0.00 0.00 0.00 0.00 61.98 62.69 2jtc s VAL 157 Cb 0.05 -3.50 -0.00 0.00 0.00 0.00 0.00 36.38 32.93 2jtc s VAL 157 CO 0.16 -0.05 0.43 -1.38 0.00 0.00 0.00 175.10 174.26 2jtc s HIS 158 N 3.54 0.93 -0.03 5.22 -3.43 -1.18 -4.95 115.29 115.39 2jtc s HIS 158 Ca 0.71 -1.18 0.07 0.00 -0.80 0.00 0.00 55.06 53.86 2jtc s HIS 158 Cb -0.33 -0.09 -0.02 0.00 -1.43 0.00 0.00 32.58 30.71 2jtc s HIS 158 CO 0.29 -1.04 -0.25 -1.14 -2.00 0.00 0.00 174.74 170.60 2jtc s GLN 159 N -3.40 2.16 0.19 -0.38 0.74 -1.26 -2.69 119.66 115.02 2jtc s GLN 159 Ca 0.30 -0.88 0.08 0.00 0.05 0.00 0.00 55.36 54.91 2jtc s GLN 159 Cb 0.00 -1.99 -0.04 0.00 1.10 0.00 0.00 33.01 32.08 2jtc s GLN 159 CO 0.17 0.48 -0.16 0.96 -0.55 0.00 0.00 175.29 176.19 2jtc s ILE 160 N -0.44 1.79 -0.38 -2.34 -4.36 0.12 -4.90 121.20 110.70 2jtc s ILE 160 Ca 0.05 -2.10 -0.01 0.00 -0.26 0.00 0.00 60.65 58.33 2jtc s ILE 160 Cb -0.11 -1.97 0.10 0.00 1.25 0.00 0.00 42.46 41.74 2jtc s ILE 160 CO 0.01 -0.48 0.15 0.20 0.24 0.00 0.00 174.94 175.06 2jtc s ASN 161 N -3.06 5.13 0.40 4.36 0.01 -1.26 0.53 114.94 121.05 2jtc s ASN 161 Ca 0.20 -1.96 0.22 0.00 -0.71 0.00 0.00 52.86 50.61 2jtc s ASN 161 Cb -0.03 -1.78 1.22 0.00 0.41 0.00 0.00 41.25 41.07 2jtc s ASN 161 CO 0.07 -0.48 1.70 -0.09 -1.51 0.00 0.00 177.10 176.79 2jtc h ARG 162 N 7.96 0.26 0.00 -0.60 9.65 0.18 1.24 114.38 133.07 2jtc h ARG 162 Ca -0.12 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 58.74 2jtc h ARG 162 Cb 1.04 -0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 29.57 2jtc h ARG 162 CO 0.65 0.17 -0.02 0.78 2.80 0.00 0.00 179.97 184.34 2jtc h GLY 163 N 0.27 0.00 -2.01 2.80 0.00 -1.86 -2.21 103.07 100.05 2jtc h GLY 163 Ca 0.70 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.03 2jtc h GLY 163 CO -0.39 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.37 2jtc n ASP 164 N -4.19 3.30 -4.68 0.19 8.00 0.42 -4.99 116.55 114.62 2jtc n ASP 164 Ca -0.03 -1.94 -0.28 0.00 0.71 0.00 0.00 54.79 53.25 2jtc n ASP 164 Cb 0.11 -0.28 -0.09 0.00 -0.02 0.00 0.00 41.12 40.84 2jtc n ASP 164 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2jtc s PHE 165 N -1.19 2.44 -0.10 1.24 0.40 -0.83 -5.00 117.98 114.94 2jtc s PHE 165 Ca 0.35 -0.69 -0.14 0.00 -0.60 0.00 0.00 56.93 55.85 2jtc s PHE 165 Cb 0.19 -1.81 -0.05 0.00 0.51 0.00 0.00 43.02 41.86 2jtc s PHE 165 CO 0.26 0.33 0.33 -1.54 0.70 0.00 0.00 175.22 175.30 2jtc s SER 166 N -3.80 6.57 0.22 1.36 1.04 -1.26 -4.87 113.70 112.97 2jtc s SER 166 Ca 0.33 0.68 -0.04 0.00 0.48 0.00 0.00 55.95 57.40 2jtc s SER 166 Cb 0.07 -2.20 0.42 0.00 0.10 0.00 0.00 66.02 64.41 2jtc s SER 166 CO 0.17 0.19 1.20 1.17 0.98 0.00 0.00 173.24 176.96 2jtc n LYS 167 N 2.85 -0.07 0.32 4.02 4.81 -1.26 0.15 118.16 128.99 2jtc n LYS 167 Ca -0.13 1.18 -0.16 0.00 -0.87 0.00 0.00 58.31 58.34 2jtc n LYS 167 Cb 0.52 -1.80 -0.08 0.00 0.02 0.00 0.00 35.03 33.69 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 -0.80 0.00 1.64 7.50 -2.00 -0.76 115.11 120.70 2jtc h GLN 168 Ca 0.40 0.05 -0.00 0.00 0.50 0.00 0.00 58.65 59.60 2jtc h GLN 168 Cb 0.68 0.18 -0.00 0.00 0.05 0.00 0.00 27.48 28.39 2jtc h GLN 168 CO -0.77 -0.48 -0.01 -0.44 -1.50 0.00 0.00 178.83 175.63 2jtc h ASP 169 N -1.05 0.00 -0.02 1.46 5.19 -1.16 -1.58 116.42 119.26 2jtc h ASP 169 Ca -0.08 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.17 2jtc h ASP 169 Cb 0.68 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.21 2jtc h ASP 169 CO 0.14 0.01 -0.59 -0.25 -3.12 0.00 0.00 179.24 175.43 2jtc h TRP 170 N 0.00 0.64 -0.06 4.55 2.91 0.18 -3.09 115.95 121.08 2jtc h TRP 170 Ca -0.00 -0.33 -0.10 0.00 1.13 0.00 0.00 58.89 59.59 2jtc h TRP 170 Cb 0.17 -0.08 -0.01 0.00 -0.51 0.00 0.00 29.16 28.72 2jtc h TRP 170 CO 0.00 1.14 -0.43 0.93 -1.03 0.00 0.00 178.44 179.05 2jtc h GLU 171 N -0.04 0.13 -0.76 2.65 5.08 -0.52 -2.69 114.58 118.44 2jtc h GLU 171 Ca -0.07 -0.06 0.09 0.00 -1.00 0.00 0.00 59.36 58.32 2jtc h GLU 171 Cb 1.28 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.46 2jtc h GLU 171 CO 0.12 0.54 0.41 0.00 -1.00 0.00 0.00 179.01 179.08 2jtc h ALA 172 N 1.46 1.06 -0.78 3.43 0.00 -1.27 1.03 119.26 124.18 2jtc h ALA 172 Ca 0.01 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2jtc h ALA 172 Cb 0.81 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 2jtc h ALA 172 CO 0.06 0.03 0.46 1.96 0.00 0.00 0.00 179.25 181.76 2jtc h GLN 173 N 0.70 1.08 0.17 0.00 1.08 -1.40 -0.56 115.11 116.18 2jtc h GLN 173 Ca 0.37 -0.11 -0.01 0.00 -1.45 0.00 0.00 58.65 57.45 2jtc h GLN 173 Cb 0.35 -0.22 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 2jtc h GLN 173 CO -0.25 0.77 -0.08 0.82 -0.95 0.00 0.00 178.83 179.14 2jtc h ILE 174 N 1.08 0.43 -0.88 2.54 2.04 -0.95 -3.04 117.51 118.72 2jtc h ILE 174 Ca 0.28 -1.04 0.20 0.00 1.00 0.00 0.00 64.86 65.29 2jtc h ILE 174 Cb -0.01 0.75 -0.11 0.00 -0.74 0.00 0.00 36.82 36.71 2jtc h ILE 174 CO -0.05 0.12 0.41 -0.78 0.00 0.00 0.00 178.15 177.85 2jtc h ASP 175 N -1.00 0.40 -0.58 1.72 1.82 0.99 0.47 116.42 120.24 2jtc h ASP 175 Ca -0.02 0.13 0.09 0.00 -0.39 0.00 0.00 57.03 56.84 2jtc h ASP 175 Cb 0.38 0.09 -0.07 0.00 0.68 0.00 0.00 39.33 40.41 2jtc h ASP 175 CO 0.04 0.07 0.21 0.50 -1.61 0.00 0.00 179.24 178.45 2jtc h LYS 176 N 0.48 0.37 -0.03 0.28 3.64 -1.16 1.18 116.57 121.33 2jtc h LYS 176 Ca 0.53 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.90 2jtc h LYS 176 Cb 0.92 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.65 2jtc h LYS 176 CO -0.47 0.25 -0.04 0.93 -2.27 0.00 0.00 179.45 177.85 2jtc h GLU 177 N 0.39 -0.06 0.00 1.90 4.39 -0.00 -1.60 114.58 119.59 2jtc h GLU 177 Ca 0.29 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.93 2jtc h GLU 177 Cb 0.34 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 2jtc h GLU 177 CO -0.29 -0.04 -0.27 -0.07 -1.16 0.00 0.00 179.01 177.18 2jtc h LEU 178 N -0.06 0.00 -0.85 1.33 3.38 0.10 0.46 115.31 119.67 2jtc h LEU 178 Ca 0.03 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.18 2jtc h LEU 178 Cb 0.10 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.74 2jtc h LEU 178 CO -0.06 0.27 0.39 0.77 0.09 0.00 0.00 178.44 179.89 2jtc h SER 179 N 0.00 0.38 -0.79 -0.43 4.64 0.24 1.49 113.55 119.08 2jtc h SER 179 Ca -0.00 0.12 -0.42 0.00 -0.47 0.00 0.00 61.79 61.02 2jtc h SER 179 Cb 0.50 0.08 -0.24 0.00 -0.31 0.00 0.00 62.40 62.43 2jtc h SER 179 CO 0.03 0.09 0.54 0.00 -0.87 0.00 0.00 176.83 176.62 2jtc n GLN 180 N -4.98 2.02 -3.88 4.77 6.02 -1.03 -4.85 117.38 115.45 2jtc n GLN 180 Ca 0.19 -2.40 -0.26 0.00 -0.01 0.00 0.00 57.00 54.52 2jtc n GLN 180 Cb 0.53 -1.94 -0.00 0.00 1.02 0.00 0.00 30.24 29.85 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 -0.78 -1.11 -4.01 1.08 3.02 0.51 -4.93 115.26 109.04 2jtc n ASN 181 Ca 0.48 -0.98 -0.31 0.00 -0.03 0.00 0.00 54.58 53.74 2jtc n ASN 181 Cb 1.37 -3.25 -0.16 0.00 -0.61 0.00 0.00 39.78 37.13 2jtc n ASN 181 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2jtc s GLN 182 N -6.39 2.02 1.25 3.52 -0.21 0.16 -4.94 119.66 115.08 2jtc s GLN 182 Ca 0.07 -1.05 -0.17 0.00 0.02 0.00 0.00 55.36 54.23 2jtc s GLN 182 Cb -0.02 -2.63 0.31 0.00 1.00 0.00 0.00 33.01 31.66 2jtc s GLN 182 CO 0.87 -0.52 1.00 -1.25 -2.12 0.00 0.00 175.29 173.28 2jtc s PRO 183 N 1.30 -1.61 0.01 2.91 0.04 -1.26 -2.12 135.00 134.27 2jtc s PRO 183 Ca -0.05 0.46 0.03 0.00 0.04 0.00 0.00 61.00 61.48 2jtc s PRO 183 Cb -0.18 -1.50 -0.01 0.00 0.04 0.00 0.00 34.50 32.84 2jtc s PRO 183 CO -0.07 -4.08 -0.09 0.08 0.04 0.00 0.00 177.00 172.88 2jtc s VAL 184 N -2.49 0.70 -0.30 -0.36 1.01 0.83 -4.51 120.40 115.28 2jtc s VAL 184 Ca 0.68 -0.54 -0.20 0.00 0.00 0.00 0.00 61.98 61.93 2jtc s VAL 184 Cb -0.19 -0.62 -0.01 0.00 0.00 0.00 0.00 36.38 35.56 2jtc s VAL 184 CO 0.61 0.08 0.60 -0.47 0.00 0.00 0.00 175.10 175.93 2jtc s TYR 185 N -0.44 3.22 0.27 5.22 6.14 -0.55 -1.03 117.35 130.18 2jtc s TYR 185 Ca 0.01 0.57 0.10 0.00 0.64 0.00 0.00 57.07 58.39 2jtc s TYR 185 Cb -0.05 -2.94 -0.05 0.00 0.42 0.00 0.00 41.96 39.34 2jtc s TYR 185 CO 0.00 -0.44 -0.15 -0.47 0.64 0.00 0.00 175.55 175.13 2jtc s TYR 186 N 2.54 2.11 -0.28 4.97 6.14 -0.82 0.95 117.35 132.96 2jtc s TYR 186 Ca 0.24 -0.48 -0.24 0.00 0.64 0.00 0.00 57.07 57.24 2jtc s TYR 186 Cb -0.15 -1.03 0.12 0.00 0.42 0.00 0.00 41.96 41.32 2jtc s TYR 186 CO 0.11 0.54 0.99 1.14 0.64 0.00 0.00 175.55 178.98 2jtc s GLN 187 N -3.59 0.52 -0.34 4.97 -2.07 -0.81 0.09 119.66 118.43 2jtc s GLN 187 Ca 0.28 0.65 -0.05 0.00 -1.82 0.00 0.00 55.36 54.43 2jtc s GLN 187 Cb -0.01 0.24 0.05 0.00 -1.09 0.00 0.00 33.01 32.20 2jtc s GLN 187 CO 0.13 -0.07 0.09 0.20 -1.32 0.00 0.00 175.29 174.32 2jtc s GLY 188 N 0.39 1.84 0.90 2.60 0.00 0.19 -1.60 107.32 111.65 2jtc s GLY 188 Ca 0.01 -1.88 -0.11 0.00 0.00 0.00 0.00 44.72 42.74 2jtc s GLY 188 CO -0.07 0.79 1.10 0.14 0.00 0.00 0.00 173.10 175.06 2jtc s VAL 189 N 1.32 2.61 0.00 1.40 1.01 -0.77 -2.62 120.40 123.35 2jtc s VAL 189 Ca -0.01 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.17 2jtc s VAL 189 Cb -0.20 -2.54 0.00 0.00 0.00 0.00 0.00 36.38 33.64 2jtc s VAL 189 CO 0.01 -0.26 0.00 0.61 0.00 0.00 0.00 175.10 175.46 2jtc n GLY 190 N -0.65 2.39 0.09 4.51 0.00 -1.08 -2.51 105.19 107.95 2jtc n GLY 190 Ca 0.08 0.02 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 2jtc n GLY 190 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2jtc h LYS 191 N 0.00 0.08 0.00 1.61 3.11 -1.88 -3.36 116.57 116.13 2jtc h LYS 191 Ca 0.00 -0.14 0.00 0.00 -2.81 0.00 0.00 60.65 57.70 2jtc h LYS 191 Cb 0.00 0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.28 2jtc h LYS 191 CO 0.00 0.76 -0.26 -0.39 -2.81 0.00 0.00 179.45 176.75 2jtc h VAL 192 N 0.02 0.00 0.00 2.00 -1.51 -1.95 -3.49 116.25 111.33 2jtc h VAL 192 Ca -0.27 -0.87 0.00 0.00 -1.23 0.00 0.00 66.70 64.33 2jtc h VAL 192 Cb 1.99 1.73 0.00 0.00 -2.13 0.00 0.00 31.29 32.88 2jtc h VAL 192 CO 0.10 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.05 2jtc n GLY 193 N 1.17 0.88 3.55 5.19 0.00 -1.26 -4.77 105.19 109.96 2jtc n GLY 193 Ca 0.03 -1.97 -0.41 0.00 0.00 0.00 0.00 46.02 43.67 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 0.76 0.01 -0.02 0.00 -0.87 -2.62 107.32 104.58 2jtc s GLY 194 Ca 0.00 -1.22 -0.30 0.00 0.00 0.00 0.00 44.72 43.19 2jtc s GLY 194 CO 0.00 2.79 1.31 -1.58 0.00 0.00 0.00 173.10 175.62 2jtc s HIS 195 N 6.34 3.09 0.36 1.90 2.46 -1.08 -4.45 115.29 123.91 2jtc s HIS 195 Ca 0.41 1.02 0.09 0.00 0.47 0.00 0.00 55.06 57.05 2jtc s HIS 195 Cb -0.09 -3.56 -0.06 0.00 -0.13 0.00 0.00 32.58 28.73 2jtc s HIS 195 CO 0.16 -1.95 -0.05 0.00 -2.47 0.00 0.00 174.74 170.43 2jtc s ALA 196 N 1.94 3.05 0.00 1.58 0.00 -1.26 0.56 121.76 127.64 2jtc s ALA 196 Ca 0.61 -2.10 0.00 0.00 0.00 0.00 0.00 51.96 50.47 2jtc s ALA 196 Cb -0.30 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 22.74 2jtc s ALA 196 CO 0.26 0.04 0.00 1.97 0.00 0.00 0.00 175.76 178.03 2jtc n PHE 197 N -0.86 0.00 -3.88 0.00 1.16 0.11 -3.54 117.46 110.45 2jtc n PHE 197 Ca -0.05 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.41 2jtc n PHE 197 Cb 0.64 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 38.37 2jtc n PHE 197 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 2jtc s VAL 198 N -2.67 0.02 -0.34 1.97 1.01 -1.00 -1.95 120.40 117.44 2jtc s VAL 198 Ca 0.00 0.01 -0.08 0.00 0.00 0.00 0.00 61.98 61.91 2jtc s VAL 198 Cb 0.00 -0.04 0.02 0.00 0.00 0.00 0.00 36.38 36.36 2jtc s VAL 198 CO 0.00 0.02 0.14 -0.63 0.00 0.00 0.00 175.10 174.62 2jtc s ILE 199 N 0.12 4.17 -0.22 2.22 1.01 -0.20 -0.04 121.20 128.26 2jtc s ILE 199 Ca -0.01 -0.86 0.12 0.00 0.00 0.00 0.00 60.65 59.90 2jtc s ILE 199 Cb -0.02 -3.27 0.44 0.00 0.01 0.00 0.00 42.46 39.63 2jtc s ILE 199 CO -0.00 -0.10 1.20 -0.90 0.00 0.00 0.00 174.94 175.13 2jtc n ASP 200 N 4.90 2.73 0.00 3.58 5.75 -0.05 -0.12 116.55 133.34 2jtc n ASP 200 Ca -0.13 -3.50 0.00 0.00 -0.01 0.00 0.00 54.79 51.15 2jtc n ASP 200 Cb 0.46 -0.44 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 2jtc n ASP 200 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jtc n GLY 201 N -0.77 1.30 3.21 6.12 0.00 -1.21 0.17 105.19 114.03 2jtc n GLY 201 Ca 0.25 -0.71 -0.12 0.00 0.00 0.00 0.00 46.02 45.43 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 1.22 0.00 4.61 0.00 0.78 0.11 121.76 126.48 2jtc s ALA 202 Ca 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 50.29 2jtc s ALA 202 Cb 0.00 1.12 0.00 0.00 0.00 0.00 0.00 23.12 24.24 2jtc s ALA 202 CO 0.00 -0.51 0.00 -0.25 0.00 0.00 0.00 175.76 175.00 2jtc n ASP 203 N -0.26 0.39 0.00 0.00 8.00 0.40 -2.05 116.55 123.03 2jtc n ASP 203 Ca -0.01 -0.29 0.00 0.00 0.71 0.00 0.00 54.79 55.20 2jtc n ASP 203 Cb 0.65 0.66 0.00 0.00 -0.02 0.00 0.00 41.12 42.41 2jtc n ASP 203 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jtc n GLY 204 N 0.78 2.90 1.71 0.44 0.00 -1.23 -4.82 105.19 104.97 2jtc n GLY 204 Ca 0.00 -0.45 -0.13 0.00 0.00 0.00 0.00 46.02 45.44 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 1.65 -2.33 1.61 1.74 -1.26 -4.63 116.66 113.44 2jtc n ARG 205 Ca 0.00 -1.38 -0.10 0.00 -0.77 0.00 0.00 57.85 55.60 2jtc n ARG 205 Cb 0.00 -1.54 0.00 0.00 -1.02 0.00 0.00 32.46 29.90 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 0.14 -3.50 -4.20 0.55 5.15 -1.26 -5.02 115.26 107.12 2jtc n ASN 206 Ca 0.27 -0.05 -0.30 0.00 -0.60 0.00 0.00 54.58 53.90 2jtc n ASN 206 Cb 0.78 -2.64 -0.16 0.00 -0.53 0.00 0.00 39.78 37.22 2jtc n ASN 206 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 2jtc s PHE 207 N -2.61 2.20 0.24 1.20 0.08 -1.26 -4.84 117.98 112.98 2jtc s PHE 207 Ca 0.05 -0.72 0.09 0.00 0.12 0.00 0.00 56.93 56.47 2jtc s PHE 207 Cb -0.02 -1.46 -0.05 0.00 -0.57 0.00 0.00 43.02 40.92 2jtc s PHE 207 CO 0.06 -0.25 -0.16 0.71 -0.10 0.00 0.00 175.22 175.48 2jtc s TYR 208 N 0.06 1.94 -0.06 0.36 1.51 -1.26 0.15 117.35 120.06 2jtc s TYR 208 Ca -0.08 -0.50 -0.17 0.00 -1.01 0.00 0.00 57.07 55.32 2jtc s TYR 208 Cb -0.14 -0.90 -0.05 0.00 -0.11 0.00 0.00 41.96 40.76 2jtc s TYR 208 CO 0.04 0.48 0.46 -1.58 -1.11 0.00 0.00 175.55 173.85 2jtc s HIS 209 N -2.81 3.62 0.04 2.71 2.46 0.29 -0.94 115.29 120.67 2jtc s HIS 209 Ca 0.26 0.96 0.04 0.00 0.47 0.00 0.00 55.06 56.79 2jtc s HIS 209 Cb -0.02 -2.45 -0.02 0.00 -0.13 0.00 0.00 32.58 29.96 2jtc s HIS 209 CO 0.10 0.38 -0.12 0.08 -2.47 0.00 0.00 174.74 172.71 2jtc s VAL 210 N -0.17 0.96 -0.78 0.89 1.01 -1.02 -0.87 120.40 120.42 2jtc s VAL 210 Ca 0.25 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.28 2jtc s VAL 210 Cb -0.16 -0.89 0.19 0.00 0.00 0.00 0.00 36.38 35.52 2jtc s VAL 210 CO 0.12 -0.06 0.62 0.21 0.00 0.00 0.00 175.10 175.99 2jtc s ASN 211 N -1.16 5.44 1.03 3.32 3.84 0.94 -3.14 114.94 125.21 2jtc s ASN 211 Ca -0.00 -3.64 -0.13 0.00 0.21 0.00 0.00 52.86 49.30 2jtc s ASN 211 Cb -0.08 -1.80 0.16 0.00 -0.55 0.00 0.00 41.25 38.98 2jtc s ASN 211 CO 0.01 -0.17 0.79 0.79 -2.79 0.00 0.00 177.10 175.73 2jtc n TRP 212 N 2.37 -0.56 0.42 0.43 7.02 -1.26 -2.37 117.44 123.49 2jtc n TRP 212 Ca 0.18 0.17 0.03 0.00 -1.02 0.00 0.00 57.50 56.87 2jtc n TRP 212 Cb 0.36 -1.81 0.16 0.00 -2.42 0.00 0.00 31.31 27.60 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 0.99 1.68 0.00 6.99 0.00 -1.23 -4.85 105.19 108.77 2jtc n GLY 213 Ca 0.07 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2jtc n GLY 213 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2jtc n TRP 214 N 0.30 -1.85 0.00 1.61 7.02 -1.26 -4.83 117.44 118.43 2jtc n TRP 214 Ca 0.11 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.59 2jtc n TRP 214 Cb 0.55 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.44 2jtc n TRP 214 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2jtc n GLY 215 N 5.00 1.10 2.31 6.99 0.00 -1.26 -4.83 105.19 114.49 2jtc n GLY 215 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 2.51 3.76 0.00 -0.02 0.00 -1.26 -4.91 105.19 105.26 2jtc n GLY 216 Ca 0.00 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.94 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 1.06 0.00 0.90 1.61 3.14 -1.26 -4.77 118.33 119.01 2jtc n VAL 217 Ca 0.25 0.00 0.05 0.00 -2.96 0.00 0.00 64.34 61.68 2jtc n VAL 217 Cb 0.49 -0.34 0.14 0.00 -1.06 0.00 0.00 33.84 33.07 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 1.84 -4.67 6.55 7.64 -1.26 -4.91 113.62 118.81 2jtc n SER 218 Ca 0.00 -2.05 -0.50 0.00 1.01 0.00 0.00 58.87 57.33 2jtc n SER 218 Cb 0.00 -0.26 -0.05 0.00 -1.01 0.00 0.00 64.21 62.89 2jtc n SER 218 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2jtc n ASP 219 N 0.39 2.96 0.00 6.43 9.92 -1.26 -4.12 116.55 130.86 2jtc n ASP 219 Ca 0.11 1.04 0.00 0.00 -0.53 0.00 0.00 54.79 55.40 2jtc n ASP 219 Cb 0.31 -1.33 0.00 0.00 -0.64 0.00 0.00 41.12 39.47 2jtc n ASP 219 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2jtc n GLY 220 N 3.85 0.32 3.85 0.44 0.00 -1.19 -5.00 105.19 107.47 2jtc n GLY 220 Ca 0.21 -0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 2jtc n GLY 220 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jtc s PHE 221 N 0.00 2.17 0.57 1.61 0.08 -1.25 -2.42 117.98 118.74 2jtc s PHE 221 Ca 0.00 -0.68 -0.14 0.00 0.12 0.00 0.00 56.93 56.22 2jtc s PHE 221 Cb 0.00 -1.99 -0.05 0.00 -0.57 0.00 0.00 43.02 40.41 2jtc s PHE 221 CO 0.00 -0.20 1.02 0.12 -0.10 0.00 0.00 175.22 176.05 2jtc s PHE 222 N -2.65 3.38 -0.03 0.36 5.36 -0.11 -4.66 117.98 119.62 2jtc s PHE 222 Ca 0.39 1.43 0.02 0.00 -0.96 0.00 0.00 56.93 57.81 2jtc s PHE 222 Cb -0.01 -2.82 -0.03 0.00 -0.34 0.00 0.00 43.02 39.82 2jtc s PHE 222 CO 0.23 -0.68 -0.08 1.03 -1.46 0.00 0.00 175.22 174.26 2jtc s ARG 223 N -4.46 2.61 -0.28 10.12 1.81 -1.26 -4.79 118.95 122.70 2jtc s ARG 223 Ca 0.59 -0.65 0.08 0.00 -1.72 0.00 0.00 55.73 54.02 2jtc s ARG 223 Cb -0.12 -2.51 0.46 0.00 -0.45 0.00 0.00 34.95 32.33 2jtc s ARG 223 CO 0.41 0.63 1.19 1.28 -0.68 0.00 0.00 175.30 178.13 2jtc n LEU 224 N 1.94 4.66 0.00 2.53 7.99 -1.26 -4.85 117.00 128.00 2jtc n LEU 224 Ca -0.17 -4.63 0.00 0.00 -0.01 0.00 0.00 56.01 51.21 2jtc n LEU 224 Cb 0.53 -0.32 0.00 0.00 -0.11 0.00 0.00 43.42 43.52 2jtc n LEU 224 CO 0.28 2.02 0.00 -0.90 -1.51 0.00 0.00 177.39 177.28 2jtc n ASP 225 N -0.73 0.00 0.00 -1.43 5.68 -1.26 -5.06 116.55 113.75 2jtc n ASP 225 Ca 0.41 0.03 0.00 0.00 -0.50 0.00 0.00 54.79 54.73 2jtc n ASP 225 Cb 0.95 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.81 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 -1.54 0.71 -1.72 2.12 0.00 -1.26 -5.12 120.51 113.70 2jtc n ALA 226 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2jtc n ALA 226 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2jtc n ALA 226 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2jtc n LEU 227 N 0.00 0.00 -0.10 0.00 -0.00 -1.26 -5.06 117.00 110.58 2jtc n LEU 227 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 56.01 55.82 2jtc n LEU 227 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.33 2jtc n LEU 227 CO 0.00 -0.15 -0.59 0.59 -0.00 0.00 0.00 177.39 177.23 2jtc n ASN 228 N -0.93 1.86 -4.79 1.45 3.02 -1.26 -4.84 115.26 109.77 2jtc n ASN 228 Ca 0.00 0.45 -0.35 0.00 -0.03 0.00 0.00 54.58 54.66 2jtc n ASN 228 Cb 0.00 -0.93 -0.03 0.00 -0.61 0.00 0.00 39.78 38.21 2jtc n ASN 228 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2jtc s PRO 229 N -2.37 3.86 0.00 3.52 0.04 -1.26 -4.75 135.00 134.04 2jtc s PRO 229 Ca -0.27 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.19 2jtc s PRO 229 Cb 0.06 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.40 2jtc s PRO 229 CO 0.50 -0.39 0.43 0.45 0.04 0.00 0.00 177.00 178.04 2jtc n SER 230 N -0.76 0.86 -4.63 6.66 2.88 -1.26 -4.99 113.62 112.38 2jtc n SER 230 Ca 0.08 -0.98 -0.38 0.00 -1.33 0.00 0.00 58.87 56.26 2jtc n SER 230 Cb 0.52 0.03 -0.09 0.00 -0.75 0.00 0.00 64.21 63.91 2jtc n SER 230 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jtc s ALA 231 N -0.03 3.57 -0.28 -1.46 0.00 -1.26 -4.95 121.76 117.35 2jtc s ALA 231 Ca 0.00 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 51.13 2jtc s ALA 231 Cb 0.00 -2.53 0.30 0.00 0.00 0.00 0.00 23.12 20.89 2jtc s ALA 231 CO 0.00 -0.43 1.70 1.28 0.00 0.00 0.00 175.76 178.31 2jtc n LEU 232 N 4.80 5.62 -0.15 0.00 4.32 -1.26 -4.90 117.00 125.42 2jtc n LEU 232 Ca -0.12 -2.92 0.00 0.00 -0.02 0.00 0.00 56.01 52.96 2jtc n LEU 232 Cb 0.51 -0.83 0.00 0.00 -1.62 0.00 0.00 43.42 41.48 2jtc n LEU 232 CO 0.36 0.98 0.00 0.61 -1.22 0.00 0.00 177.39 178.12 2jtc n GLY 233 N -0.10 -0.31 0.10 -0.72 0.00 -1.26 -4.46 105.19 98.44 2jtc n GLY 233 Ca 0.32 -1.07 -0.01 0.00 0.00 0.00 0.00 46.02 45.26 2jtc n GLY 233 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2jtc h THR 234 N 0.00 0.73 0.00 2.61 1.35 -2.03 -3.42 112.91 112.15 2jtc h THR 234 Ca 0.00 -2.23 0.00 0.00 -0.55 0.00 0.00 66.41 63.63 2jtc h THR 234 Cb 0.00 2.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.66 2jtc h THR 234 CO 0.00 0.41 0.00 0.61 -0.25 0.00 0.00 175.52 176.29 2jtc n GLY 235 N 1.36 -0.32 0.00 5.82 0.00 -1.26 -5.03 105.19 105.75 2jtc n GLY 235 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 1.93 1.21 0.00 -0.02 0.00 -1.26 -5.12 105.19 101.92 2jtc n GLY 236 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.86 2jtc n GLY 236 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jtc n GLY 237 N 5.00 -0.36 0.00 -0.02 0.00 -1.26 -4.71 105.19 103.84 2jtc n GLY 237 Ca 0.00 0.73 0.08 0.00 0.00 0.00 0.00 46.02 46.82 2jtc n GLY 237 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jtc n ALA 238 N 0.00 3.33 0.00 4.61 0.00 -1.26 -5.07 120.51 122.12 2jtc n ALA 238 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.04 2jtc n ALA 238 Cb 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 18.90 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 1.48 1.19 0.29 0.00 0.00 -1.26 -4.93 105.19 101.95 2jtc n GLY 239 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.52 2jtc n GLY 239 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jtc n GLY 240 N 0.00 0.87 3.52 -0.02 0.00 -1.26 -4.80 105.19 103.50 2jtc n GLY 240 Ca 0.00 -0.65 -0.26 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.29 -3.86 -3.30 1.61 1.16 -1.26 -4.82 117.46 106.70 2jtc n PHE 241 Ca 0.00 -1.14 -0.46 0.00 -1.87 0.00 0.00 57.45 53.98 2jtc n PHE 241 Cb 0.10 -0.90 -0.01 0.00 -1.61 0.00 0.00 39.48 37.06 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 -5.34 7.08 -0.04 5.98 3.04 -1.26 -3.57 114.94 120.82 2jtc s ASN 242 Ca 0.68 -3.17 -0.01 0.00 0.04 0.00 0.00 52.86 50.40 2jtc s ASN 242 Cb -0.02 -2.23 -0.00 0.00 -1.54 0.00 0.00 41.25 37.46 2jtc s ASN 242 CO 0.47 -0.45 -0.02 1.23 -3.04 0.00 0.00 177.10 175.30 2jtc h GLY 243 N 7.38 0.00 -7.23 1.21 0.00 -1.80 -3.46 103.07 99.16 2jtc h GLY 243 Ca 0.16 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.98 2jtc h GLY 243 CO 0.93 0.00 -0.76 -0.19 0.00 0.00 0.00 176.54 176.52 2jtc s TYR 244 N -1.27 0.91 0.02 5.60 1.51 -1.26 -4.98 117.35 117.87 2jtc s TYR 244 Ca -0.01 -0.75 -0.16 0.00 -1.01 0.00 0.00 57.07 55.14 2jtc s TYR 244 Cb 0.00 -0.97 -0.06 0.00 -0.11 0.00 0.00 41.96 40.82 2jtc s TYR 244 CO 0.02 -0.58 0.44 -0.65 -1.11 0.00 0.00 175.55 173.67 2jtc s GLN 245 N 1.90 3.97 0.19 -0.62 -0.21 -1.26 -1.85 119.66 121.78 2jtc s GLN 245 Ca -0.00 0.48 -0.11 0.00 0.02 0.00 0.00 55.36 55.75 2jtc s GLN 245 Cb -0.17 -3.22 -0.00 0.00 1.00 0.00 0.00 33.01 30.62 2jtc s GLN 245 CO -0.08 0.68 0.36 -1.54 -2.12 0.00 0.00 175.29 172.59 2jtc s SER 246 N -1.09 -0.04 0.02 5.90 1.04 -0.63 0.19 113.70 119.11 2jtc s SER 246 Ca 0.25 -0.83 -0.02 0.00 0.48 0.00 0.00 55.95 55.83 2jtc s SER 246 Cb -0.17 0.49 -0.02 0.00 0.10 0.00 0.00 66.02 66.42 2jtc s SER 246 CO 0.15 -0.97 0.01 0.00 0.98 0.00 0.00 173.24 173.41 2jtc s ALA 247 N -3.97 0.08 -0.25 5.32 0.00 0.19 -1.93 121.76 121.21 2jtc s ALA 247 Ca 0.17 -0.61 -0.05 0.00 0.00 0.00 0.00 51.96 51.48 2jtc s ALA 247 Cb 0.02 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.32 2jtc s ALA 247 CO 0.02 -0.22 -0.00 0.08 0.00 0.00 0.00 175.76 175.63 2jtc s VAL 248 N -1.99 3.53 0.05 0.00 1.01 0.27 0.16 120.40 123.42 2jtc s VAL 248 Ca -0.11 -0.63 0.08 0.00 0.00 0.00 0.00 61.98 61.33 2jtc s VAL 248 Cb -0.06 -2.71 -0.03 0.00 0.00 0.00 0.00 36.38 33.59 2jtc s VAL 248 CO -0.03 0.27 -0.23 0.68 0.00 0.00 0.00 175.10 175.80 2jtc s VAL 249 N 1.47 1.83 0.00 2.92 -7.23 -1.10 -1.48 120.40 116.82 2jtc s VAL 249 Ca 0.04 -1.29 0.00 0.00 -1.81 0.00 0.00 61.98 58.92 2jtc s VAL 249 Cb -0.16 -1.59 0.00 0.00 0.56 0.00 0.00 36.38 35.20 2jtc s VAL 249 CO -0.01 0.24 0.00 0.61 -0.31 0.00 0.00 175.10 175.63 2jtc n GLY 250 N 1.76 0.75 3.13 2.32 0.00 -1.26 -3.11 105.19 108.79 2jtc n GLY 250 Ca -0.17 -0.42 -0.44 0.00 0.00 0.00 0.00 46.02 44.99 2jtc n GLY 250 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2jtc n ILE 251 N -0.81 4.99 -3.68 -0.61 5.41 -1.26 -2.39 119.36 121.01 2jtc n ILE 251 Ca 0.00 -5.71 -0.12 0.00 1.00 0.00 0.00 62.75 57.92 2jtc n ILE 251 Cb 0.31 -2.28 -0.06 0.00 -0.71 0.00 0.00 39.64 36.90 2jtc n ILE 251 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 2jtc s LYS 252 N -2.19 0.94 0.00 0.38 -2.85 -1.26 -4.88 119.74 109.87 2jtc s LYS 252 Ca 0.31 -0.53 0.28 0.00 -1.00 0.00 0.00 55.97 55.03 2jtc s LYS 252 Cb -0.01 0.42 1.67 0.00 -2.06 0.00 0.00 37.83 37.84 2jtc s LYS 252 CO 0.03 -0.34 2.01 -0.35 0.10 0.00 0.00 175.35 176.81