#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 3.68 0.11 3.69 0.04 -1.26 -4.67 135.00 136.58 2jtc s PRO 2 Ca 0.00 0.92 -0.15 0.00 0.04 0.00 0.00 61.00 61.81 2jtc s PRO 2 Cb 0.00 -2.09 -0.07 0.00 0.04 0.00 0.00 34.50 32.38 2jtc s PRO 2 CO 0.00 -0.50 0.52 0.08 0.04 0.00 0.00 177.00 177.14 2jtc s VAL 3 N -2.82 4.89 -0.05 -0.36 1.01 -1.26 -4.16 120.40 117.65 2jtc s VAL 3 Ca 0.58 0.84 0.02 0.00 0.00 0.00 0.00 61.98 63.42 2jtc s VAL 3 Cb -0.11 -3.75 0.01 0.00 0.00 0.00 0.00 36.38 32.53 2jtc s VAL 3 CO 0.41 0.34 -0.09 -0.69 0.00 0.00 0.00 175.10 175.07 2jtc s VAL 4 N -1.35 0.88 1.02 2.92 1.01 0.20 -4.84 120.40 120.23 2jtc s VAL 4 Ca 0.34 -0.35 -0.17 0.00 0.00 0.00 0.00 61.98 61.79 2jtc s VAL 4 Cb -0.16 -0.81 0.24 0.00 0.00 0.00 0.00 36.38 35.65 2jtc s VAL 4 CO 0.18 0.29 1.22 0.29 0.00 0.00 0.00 175.10 177.09 2jtc n LYS 5 N 3.69 -1.80 -2.45 2.72 4.76 -1.26 0.64 118.16 124.45 2jtc n LYS 5 Ca -0.22 -1.91 -0.41 0.00 -2.87 0.00 0.00 58.31 52.90 2jtc n LYS 5 Cb 0.52 -1.41 -0.03 0.00 -1.84 0.00 0.00 35.03 32.28 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 -5.33 6.09 0.12 4.39 0.15 -1.21 -3.43 113.70 114.49 2jtc s SER 6 Ca 0.72 -0.06 -0.21 0.00 0.70 0.00 0.00 55.95 57.10 2jtc s SER 6 Cb -0.03 -2.55 -0.06 0.00 -1.71 0.00 0.00 66.02 61.66 2jtc s SER 6 CO 0.52 -1.81 1.72 -0.07 1.20 0.00 0.00 173.24 174.80 2jtc h LEU 7 N 13.26 -0.07 -0.81 3.45 3.38 0.36 0.88 115.31 135.76 2jtc h LEU 7 Ca -0.27 0.03 0.08 0.00 0.09 0.00 0.00 57.88 57.81 2jtc h LEU 7 Cb 1.08 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.82 2jtc h LEU 7 CO 1.23 -0.01 0.47 -0.07 0.09 0.00 0.00 178.44 180.15 2jtc h LEU 8 N 0.04 0.70 -0.74 1.67 3.38 -1.90 0.14 115.31 118.60 2jtc h LEU 8 Ca 0.07 0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 2jtc h LEU 8 Cb 0.09 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2jtc h LEU 8 CO -0.12 0.43 -0.30 -0.78 0.09 0.00 0.00 178.44 177.75 2jtc h ASP 9 N 0.83 0.64 0.00 -0.43 3.58 -1.49 0.46 116.42 120.00 2jtc h ASP 9 Ca 0.37 -0.25 0.00 0.00 0.42 0.00 0.00 57.03 57.58 2jtc h ASP 9 Cb 0.28 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.15 2jtc h ASP 9 CO -0.21 0.91 0.07 0.77 -2.88 0.00 0.00 179.24 177.89 2jtc h SER 10 N 0.53 0.00 0.00 2.28 4.64 0.28 0.33 113.55 121.61 2jtc h SER 10 Ca 0.06 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 2jtc h SER 10 Cb 0.79 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.86 2jtc h SER 10 CO 0.06 0.00 -0.23 0.29 -0.87 0.00 0.00 176.83 176.09 2jtc n LYS 11 N -2.29 1.25 -4.34 4.77 5.02 -0.75 -4.95 118.16 116.87 2jtc n LYS 11 Ca -0.01 -2.69 -0.39 0.00 -2.02 0.00 0.00 58.31 53.19 2jtc n LYS 11 Cb 0.11 -1.42 -0.05 0.00 -0.02 0.00 0.00 35.03 33.65 2jtc n LYS 11 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jtc n GLY 12 N -1.18 -0.43 3.56 0.72 0.00 0.12 -4.71 105.19 103.26 2jtc n GLY 12 Ca 0.16 0.11 -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 -3.25 4.54 -0.31 -0.61 1.01 0.15 -2.89 121.20 119.83 2jtc s ILE 13 Ca 0.78 0.69 -0.01 0.00 0.00 0.00 0.00 60.65 62.11 2jtc s ILE 13 Cb -0.44 -4.39 0.10 0.00 0.01 0.00 0.00 42.46 37.74 2jtc s ILE 13 CO 0.96 -0.77 0.11 -1.00 0.00 0.00 0.00 174.94 174.24 2jtc s HIS 14 N 3.59 1.45 0.52 3.97 3.76 0.75 -4.57 115.29 124.76 2jtc s HIS 14 Ca 0.35 -1.61 0.08 0.00 -0.15 0.00 0.00 55.06 53.73 2jtc s HIS 14 Cb -0.11 -1.56 0.05 0.00 1.11 0.00 0.00 32.58 32.07 2jtc s HIS 14 CO 0.25 -0.87 0.59 0.71 -0.85 0.00 0.00 174.74 174.57 2jtc s TYR 15 N 1.65 1.87 0.19 1.40 1.51 -1.26 -3.50 117.35 119.20 2jtc s TYR 15 Ca 0.10 -0.67 -0.00 0.00 -1.01 0.00 0.00 57.07 55.49 2jtc s TYR 15 Cb -0.17 -2.15 0.00 0.00 -0.11 0.00 0.00 41.96 39.53 2jtc s TYR 15 CO -0.26 -0.71 0.24 -1.71 -1.11 0.00 0.00 175.55 172.00 2jtc n ASN 16 N -1.95 -0.67 -0.00 2.29 2.85 -1.26 -4.93 115.26 111.59 2jtc n ASN 16 Ca 0.08 -2.05 0.01 0.00 -0.11 0.00 0.00 54.58 52.51 2jtc n ASN 16 Cb 0.62 1.28 -0.01 0.00 1.24 0.00 0.00 39.78 42.90 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 -0.32 0.41 -0.03 1.20 6.02 -1.26 -4.78 117.38 118.63 2jtc n GLN 17 Ca 0.01 -0.01 -0.03 0.00 -0.01 0.00 0.00 57.00 56.96 2jtc n GLN 17 Cb 0.32 -1.04 -0.03 0.00 1.02 0.00 0.00 30.24 30.50 2jtc n GLN 17 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jtc n GLY 18 N 2.45 -0.17 0.00 1.08 0.00 -1.26 -1.00 105.19 106.29 2jtc n GLY 18 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.38 0.00 0.00 1.61 4.05 -1.26 -3.48 115.26 113.80 2jtc n ASN 19 Ca -0.09 0.00 0.08 0.00 0.45 0.00 0.00 54.58 55.02 2jtc n ASN 19 Cb 0.64 0.00 0.46 0.00 1.23 0.00 0.00 39.78 42.11 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 0.72 0.08 1.20 -0.04 -1.26 -2.56 135.00 133.13 2jtc n PRO 20 Ca 0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.39 2jtc n PRO 20 Cb 0.00 -1.34 -0.07 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 0.07 -0.57 0.54 -1.99 -1.86 -3.11 116.97 110.04 2jtc h TYR 21 Ca 0.00 -0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.69 2jtc h TYR 21 Cb 0.00 -0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 2jtc h TYR 21 CO 0.00 0.97 0.00 0.27 -0.00 0.00 0.00 178.16 179.40 2jtc n ASN 22 N -3.45 3.69 0.00 3.88 6.94 -1.06 -4.21 115.26 121.05 2jtc n ASN 22 Ca -0.01 -2.22 0.06 0.00 -0.02 0.00 0.00 54.58 52.39 2jtc n ASN 22 Cb 0.89 -0.47 0.26 0.00 -2.36 0.00 0.00 39.78 38.10 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 1.05 0.00 0.00 -4.53 4.77 -1.18 -2.51 117.00 114.60 2jtc n LEU 23 Ca 0.21 0.43 0.00 0.00 -0.03 0.00 0.00 56.01 56.62 2jtc n LEU 23 Cb 0.66 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 2jtc n LEU 23 CO 0.17 -0.26 0.06 0.18 -1.33 0.00 0.00 177.39 176.21 2jtc n LEU 24 N -1.43 0.25 -4.56 2.23 4.77 -1.26 -5.02 117.00 111.98 2jtc n LEU 24 Ca 0.04 -0.46 -0.29 0.00 -0.03 0.00 0.00 56.01 55.27 2jtc n LEU 24 Cb 0.12 0.00 0.22 0.00 -2.33 0.00 0.00 43.42 41.43 2jtc n LEU 24 CO 0.10 0.06 0.58 0.42 -1.33 0.00 0.00 177.39 177.22 2jtc s THR 25 N -0.41 2.06 0.24 -5.08 -4.23 -1.04 -4.85 115.64 102.32 2jtc s THR 25 Ca 0.00 0.02 -0.30 0.00 -1.18 0.00 0.00 61.69 60.23 2jtc s THR 25 Cb 0.00 -2.08 -0.09 0.00 1.34 0.00 0.00 72.50 71.67 2jtc s THR 25 CO 0.00 -0.03 1.23 -2.16 -0.54 0.00 0.00 174.62 173.12 2jtc s PRO 26 N -4.54 4.47 0.41 3.99 0.04 -1.26 -4.61 135.00 133.50 2jtc s PRO 26 Ca 0.68 1.97 -0.20 0.00 0.04 0.00 0.00 61.00 63.49 2jtc s PRO 26 Cb -0.24 -3.19 -0.11 0.00 0.04 0.00 0.00 34.50 31.01 2jtc s PRO 26 CO 0.62 -0.09 0.91 0.08 0.04 0.00 0.00 177.00 178.56 2jtc s VAL 27 N -0.44 4.45 0.43 -0.36 1.01 -1.26 -0.97 120.40 123.26 2jtc s VAL 27 Ca 0.51 1.38 -0.22 0.00 0.00 0.00 0.00 61.98 63.66 2jtc s VAL 27 Cb -0.35 -3.60 -0.10 0.00 0.00 0.00 0.00 36.38 32.33 2jtc s VAL 27 CO 0.41 -0.29 0.99 -0.63 0.00 0.00 0.00 175.10 175.58 2jtc s ILE 28 N -2.14 4.09 0.00 2.22 1.01 0.26 -4.84 121.20 121.80 2jtc s ILE 28 Ca 0.60 1.38 0.00 0.00 0.00 0.00 0.00 60.65 62.64 2jtc s ILE 28 Cb -0.09 -3.60 0.00 0.00 0.01 0.00 0.00 42.46 38.77 2jtc s ILE 28 CO 0.14 -0.20 0.00 -0.62 0.00 0.00 0.00 174.94 174.25 2jtc n GLU 29 N -0.55 1.80 -4.57 2.79 1.02 -0.98 -1.15 120.64 119.00 2jtc n GLU 29 Ca 0.07 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.95 2jtc n GLU 29 Cb 0.53 -0.86 -0.10 0.00 -0.02 0.00 0.00 31.44 30.99 2jtc n GLU 29 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2jtc s LYS 30 N -1.46 1.89 0.07 3.49 1.02 0.80 -4.84 119.74 120.71 2jtc s LYS 30 Ca 0.00 -2.09 0.07 0.00 0.02 0.00 0.00 55.97 53.96 2jtc s LYS 30 Cb 0.00 -1.26 -0.04 0.00 -0.52 0.00 0.00 37.83 36.01 2jtc s LYS 30 CO 0.00 -0.18 -0.14 0.08 -0.92 0.00 0.00 175.35 174.19 2jtc s VAL 31 N -2.98 3.10 -0.07 3.17 1.01 -1.23 -4.31 120.40 119.08 2jtc s VAL 31 Ca 0.30 -1.21 -0.24 0.00 0.00 0.00 0.00 61.98 60.83 2jtc s VAL 31 Cb 0.08 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 2jtc s VAL 31 CO 0.15 0.23 0.72 -0.75 0.00 0.00 0.00 175.10 175.45 2jtc s LYS 32 N -1.81 4.43 -0.02 2.72 2.20 -1.22 -4.74 119.74 121.30 2jtc s LYS 32 Ca 0.18 0.91 -0.30 0.00 -0.36 0.00 0.00 55.97 56.39 2jtc s LYS 32 Cb -0.11 -3.46 -0.05 0.00 -1.51 0.00 0.00 37.83 32.70 2jtc s LYS 32 CO 0.09 0.02 1.43 -1.25 -0.36 0.00 0.00 175.35 175.28 2jtc s PRO 33 N 0.93 4.26 0.00 4.03 0.04 -1.26 -2.46 135.00 140.54 2jtc s PRO 33 Ca 0.38 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.40 2jtc s PRO 33 Cb -0.18 -3.63 0.00 0.00 0.04 0.00 0.00 34.50 30.73 2jtc s PRO 33 CO 0.18 -0.62 0.00 0.41 0.04 0.00 0.00 177.00 177.01 2jtc n GLY 34 N 3.71 1.14 2.39 0.56 0.00 -1.26 -5.08 105.19 106.65 2jtc n GLY 34 Ca 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.53 0.48 -1.44 1.61 2.13 -1.03 -5.17 120.64 115.69 2jtc n GLU 35 Ca 0.00 -2.03 -0.22 0.00 0.66 0.00 0.00 57.16 55.57 2jtc n GLU 35 Cb 0.00 1.93 0.15 0.00 0.27 0.00 0.00 31.44 33.79 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 -0.42 -0.93 -3.15 5.31 1.13 -1.26 -4.84 117.38 113.22 2jtc n GLN 36 Ca 0.01 -1.55 -0.39 0.00 -1.94 0.00 0.00 57.00 53.13 2jtc n GLN 36 Cb 0.42 -1.00 -0.06 0.00 0.11 0.00 0.00 30.24 29.71 2jtc n GLN 36 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2jtc s SER 37 N -4.60 7.12 -0.10 1.08 0.15 -1.26 -4.39 113.70 111.70 2jtc s SER 37 Ca 0.56 1.33 0.15 0.00 0.70 0.00 0.00 55.95 58.69 2jtc s SER 37 Cb -0.02 -2.40 0.22 0.00 -1.71 0.00 0.00 66.02 62.11 2jtc s SER 37 CO 0.39 0.17 1.11 0.49 1.20 0.00 0.00 173.24 176.60 2jtc n PHE 38 N 2.16 0.00 -2.15 3.44 3.72 -1.26 -5.03 117.46 118.33 2jtc n PHE 38 Ca -0.07 -0.79 -0.38 0.00 -0.05 0.00 0.00 57.45 56.16 2jtc n PHE 38 Cb 0.50 -0.13 -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 -2.26 2.86 0.00 -4.37 1.01 -1.26 -2.09 120.40 114.29 2jtc s VAL 39 Ca 0.25 0.69 0.00 0.00 0.00 0.00 0.00 61.98 62.92 2jtc s VAL 39 Cb 0.22 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 33.22 2jtc s VAL 39 CO 0.02 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.77 2jtc n GLY 40 N 0.57 1.32 3.72 4.51 0.00 -0.30 -4.91 105.19 110.11 2jtc n GLY 40 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.03 4.41 -0.33 1.61 -0.21 -0.89 -4.78 119.66 119.43 2jtc s GLN 41 Ca 0.00 0.76 -0.29 0.00 0.02 0.00 0.00 55.36 55.86 2jtc s GLN 41 Cb 0.00 -3.44 -0.00 0.00 1.00 0.00 0.00 33.01 30.57 2jtc s GLN 41 CO 0.00 0.11 1.48 -1.01 -2.12 0.00 0.00 175.29 173.75 2jtc s HIS 42 N 0.69 2.32 0.89 0.91 3.76 -1.26 -0.57 115.29 122.03 2jtc s HIS 42 Ca 0.34 0.69 -0.13 0.00 -0.15 0.00 0.00 55.06 55.80 2jtc s HIS 42 Cb -0.17 -4.11 0.02 0.00 1.11 0.00 0.00 32.58 29.43 2jtc s HIS 42 CO 0.16 -2.26 0.50 0.00 -0.85 0.00 0.00 174.74 172.29 2jtc n ALA 43 N 8.64 -2.15 -1.32 -1.40 0.00 -0.14 -4.85 120.51 119.29 2jtc n ALA 43 Ca 0.17 -0.51 -0.29 0.00 0.00 0.00 0.00 53.44 52.81 2jtc n ALA 43 Cb 0.47 -1.85 0.13 0.00 0.00 0.00 0.00 19.45 18.20 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 -2.27 1.62 0.07 0.00 0.00 -0.63 -4.66 121.76 115.89 2jtc s ALA 44 Ca 0.60 -0.21 0.09 0.00 0.00 0.00 0.00 51.96 52.44 2jtc s ALA 44 Cb -0.25 -3.14 -0.17 0.00 0.00 0.00 0.00 23.12 19.57 2jtc s ALA 44 CO 0.64 -2.29 1.28 1.79 0.00 0.00 0.00 175.76 177.18 2jtc h THR 45 N -1.50 1.54 0.00 0.00 1.35 -1.38 -3.40 112.91 109.52 2jtc h THR 45 Ca -0.50 -3.19 0.00 0.00 -0.55 0.00 0.00 66.41 62.17 2jtc h THR 45 Cb 1.29 2.76 0.00 0.00 -1.73 0.00 0.00 68.15 70.47 2jtc h THR 45 CO 0.57 0.88 0.00 0.61 -0.25 0.00 0.00 175.52 177.33 2jtc n GLY 46 N 1.34 1.76 0.24 5.82 0.00 -1.24 -4.29 105.19 108.81 2jtc n GLY 46 Ca -0.00 -1.49 -0.10 0.00 0.00 0.00 0.00 46.02 44.42 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 -0.59 -0.57 1.61 4.64 -1.89 0.35 113.55 117.10 2jtc h SER 47 Ca 0.00 0.09 0.11 0.00 -0.47 0.00 0.00 61.79 61.52 2jtc h SER 47 Cb 0.00 0.26 -0.11 0.00 -0.31 0.00 0.00 62.40 62.23 2jtc h SER 47 CO 0.00 -0.26 -0.26 0.58 -0.87 0.00 0.00 176.83 176.02 2jtc h VAL 48 N -0.30 0.26 0.10 0.95 2.07 -1.80 1.54 116.25 119.08 2jtc h VAL 48 Ca 0.07 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 2jtc h VAL 48 Cb 0.40 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 2jtc h VAL 48 CO -0.22 0.00 -0.07 0.00 0.02 0.00 0.00 177.57 177.30 2jtc h ALA 49 N 1.20 -0.16 -0.17 1.67 0.00 -1.43 -1.60 119.26 118.77 2jtc h ALA 49 Ca 0.25 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 2jtc h ALA 49 Cb 0.52 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2jtc h ALA 49 CO -0.64 -0.60 -0.11 1.15 0.00 0.00 0.00 179.25 179.05 2jtc h THR 50 N -0.17 1.18 -0.56 0.00 2.02 0.15 0.67 112.91 116.19 2jtc h THR 50 Ca -0.01 -0.77 -0.10 0.00 0.77 0.00 0.00 66.41 66.30 2jtc h THR 50 Cb 0.15 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 2jtc h THR 50 CO 0.00 0.24 -0.06 0.00 0.37 0.00 0.00 175.52 176.08 2jtc h ALA 51 N 1.63 0.84 0.10 6.16 0.00 0.26 -1.89 119.26 126.36 2jtc h ALA 51 Ca 0.05 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 2jtc h ALA 51 Cb 0.36 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2jtc h ALA 51 CO 0.02 0.66 -0.05 1.15 0.00 0.00 0.00 179.25 181.03 2jtc h THR 52 N 0.92 1.01 -0.99 0.00 2.02 -0.51 -3.06 112.91 112.30 2jtc h THR 52 Ca 0.15 -1.36 0.20 0.00 0.77 0.00 0.00 66.41 66.18 2jtc h THR 52 Cb 0.61 1.75 -0.10 0.00 -1.74 0.00 0.00 68.15 68.67 2jtc h THR 52 CO 0.04 0.28 0.62 0.00 0.37 0.00 0.00 175.52 176.83 2jtc h ALA 53 N -0.23 1.85 -0.24 6.16 0.00 0.33 1.16 119.26 128.29 2jtc h ALA 53 Ca -0.01 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2jtc h ALA 53 Cb 0.57 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2jtc h ALA 53 CO 0.02 -0.21 0.08 1.96 0.00 0.00 0.00 179.25 181.10 2jtc h GLN 54 N 0.65 0.37 0.00 0.00 4.20 -1.40 0.55 115.11 119.47 2jtc h GLN 54 Ca 0.55 -0.08 -0.04 0.00 0.06 0.00 0.00 58.65 59.15 2jtc h GLN 54 Cb 1.02 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.74 2jtc h GLN 54 CO -0.32 0.44 -0.18 0.82 -0.67 0.00 0.00 178.83 178.92 2jtc h ILE 55 N 0.22 0.58 -0.03 2.54 2.04 -0.66 0.35 117.51 122.54 2jtc h ILE 55 Ca 0.08 -0.82 -0.16 0.00 1.00 0.00 0.00 64.86 64.95 2jtc h ILE 55 Cb 0.23 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 2jtc h ILE 55 CO -0.00 0.17 -0.70 0.24 0.00 0.00 0.00 178.15 177.86 2jtc h MET 56 N 0.00 0.18 -0.00 2.37 2.86 0.26 -2.81 114.93 117.79 2jtc h MET 56 Ca -0.00 -0.15 -0.15 0.00 -2.06 0.00 0.00 59.70 57.34 2jtc h MET 56 Cb 0.53 0.03 0.01 0.00 0.06 0.00 0.00 31.60 32.23 2jtc h MET 56 CO 0.02 0.81 -0.59 -0.22 1.06 0.00 0.00 176.91 178.00 2jtc h LYS 57 N 0.12 0.40 -0.50 1.72 1.63 0.16 0.62 116.57 120.73 2jtc h LYS 57 Ca -0.02 -0.43 0.14 0.00 -0.85 0.00 0.00 60.65 59.50 2jtc h LYS 57 Cb 1.25 0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 32.98 2jtc h LYS 57 CO 0.11 1.10 0.43 -0.92 -3.45 0.00 0.00 179.45 176.71 2jtc h TYR 58 N -0.11 0.00 0.00 1.91 5.03 -0.31 -2.02 116.97 121.47 2jtc h TYR 58 Ca -0.07 0.00 -0.14 0.00 2.58 0.00 0.00 58.73 61.10 2jtc h TYR 58 Cb 1.30 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 39.55 2jtc h TYR 58 CO 0.15 0.00 -1.77 0.72 -1.32 0.00 0.00 178.16 175.93 2jtc n HIS 59 N -4.02 0.00 -3.92 -3.82 8.25 -1.07 -5.01 115.22 105.63 2jtc n HIS 59 Ca 0.09 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.16 2jtc n HIS 59 Cb 0.64 -0.50 0.02 0.00 1.12 0.00 0.00 29.99 31.27 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 -2.28 -4.28 0.00 0.41 3.02 0.22 -4.91 115.26 107.44 2jtc n ASN 60 Ca -0.14 -1.18 0.00 0.00 -0.03 0.00 0.00 54.58 53.24 2jtc n ASN 60 Cb 0.69 -2.41 0.00 0.00 -0.61 0.00 0.00 39.78 37.46 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 -4.67 0.00 -2.07 3.10 9.36 -1.26 -4.78 117.16 116.85 2jtc n TYR 61 Ca -0.12 0.00 -0.41 0.00 3.32 0.00 0.00 57.90 60.69 2jtc n TYR 61 Cb 0.58 -0.29 -0.03 0.00 -0.63 0.00 0.00 39.34 38.97 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 -0.78 3.07 0.44 2.98 0.04 -1.26 -4.78 135.00 134.71 2jtc s PRO 62 Ca 0.00 1.01 0.24 0.00 0.04 0.00 0.00 61.00 62.29 2jtc s PRO 62 Cb 0.00 -4.25 0.88 0.00 0.04 0.00 0.00 34.50 31.17 2jtc s PRO 62 CO 0.00 -2.18 1.81 -0.91 0.04 0.00 0.00 177.00 175.76 2jtc h ASN 63 N 13.42 0.00 -3.80 6.66 4.21 -1.86 -3.39 115.58 130.82 2jtc h ASN 63 Ca -0.30 0.00 -0.34 0.00 1.21 0.00 0.00 56.30 56.87 2jtc h ASN 63 Cb 1.16 0.00 -0.30 0.00 -1.12 0.00 0.00 38.32 38.06 2jtc h ASN 63 CO 1.12 0.22 -0.76 -0.75 -1.29 0.00 0.00 177.43 175.97 2jtc s LYS 64 N -3.60 0.48 0.70 0.81 2.20 -1.26 0.22 119.74 119.28 2jtc s LYS 64 Ca 0.01 -0.15 -0.16 0.00 -0.36 0.00 0.00 55.97 55.31 2jtc s LYS 64 Cb 0.10 -0.49 0.01 0.00 -1.51 0.00 0.00 37.83 35.94 2jtc s LYS 64 CO 0.64 0.06 1.17 0.41 -0.36 0.00 0.00 175.35 177.26 2jtc n GLY 65 N 3.24 0.12 0.13 5.54 0.00 -0.90 -4.90 105.19 108.42 2jtc n GLY 65 Ca -0.16 -0.27 -0.21 0.00 0.00 0.00 0.00 46.02 45.37 2jtc n GLY 65 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jtc n LEU 66 N -2.06 2.55 -3.71 0.99 4.77 -1.07 -4.28 117.00 114.18 2jtc n LEU 66 Ca 0.15 0.19 -0.12 0.00 -0.03 0.00 0.00 56.01 56.19 2jtc n LEU 66 Cb 0.49 -1.05 -0.10 0.00 -2.33 0.00 0.00 43.42 40.43 2jtc n LEU 66 CO 0.48 0.77 0.11 -0.75 -1.33 0.00 0.00 177.39 176.66 2jtc s LYS 67 N -2.52 0.48 1.05 3.23 2.20 -1.25 -4.45 119.74 118.49 2jtc s LYS 67 Ca -0.26 0.69 -0.12 0.00 -0.36 0.00 0.00 55.97 55.92 2jtc s LYS 67 Cb 0.07 0.16 0.21 0.00 -1.51 0.00 0.00 37.83 36.76 2jtc s LYS 67 CO 0.70 -0.10 1.02 -0.40 -0.36 0.00 0.00 175.35 176.21 2jtc n ASP 68 N 3.35 -0.85 -3.96 1.43 5.68 -1.26 -3.41 116.55 117.54 2jtc n ASP 68 Ca -0.17 0.12 -0.09 0.00 -0.50 0.00 0.00 54.79 54.15 2jtc n ASP 68 Cb 0.56 -1.35 -0.10 0.00 -1.14 0.00 0.00 41.12 39.09 2jtc n ASP 68 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 2jtc s TYR 69 N -2.50 0.23 0.19 2.11 6.14 -0.72 -4.78 117.35 118.01 2jtc s TYR 69 Ca 0.67 -0.50 -0.13 0.00 0.64 0.00 0.00 57.07 57.76 2jtc s TYR 69 Cb -0.24 -0.17 0.00 0.00 0.42 0.00 0.00 41.96 41.98 2jtc s TYR 69 CO 0.62 -0.27 0.41 -0.08 0.64 0.00 0.00 175.55 176.87 2jtc s THR 70 N -1.94 0.04 -0.12 4.34 -1.32 -1.26 -0.52 115.64 114.86 2jtc s THR 70 Ca -0.11 -1.18 -0.30 0.00 -1.21 0.00 0.00 61.69 58.88 2jtc s THR 70 Cb -0.06 -1.83 0.12 0.00 -1.51 0.00 0.00 72.50 69.23 2jtc s THR 70 CO -0.02 -0.17 0.99 -0.72 -2.21 0.00 0.00 174.62 172.49 2jtc s TYR 71 N -3.95 -0.33 -0.04 9.09 1.13 -1.03 -4.92 117.35 117.29 2jtc s TYR 71 Ca 0.16 0.44 -0.16 0.00 -1.41 0.00 0.00 57.07 56.09 2jtc s TYR 71 Cb 0.01 0.48 -0.05 0.00 -1.10 0.00 0.00 41.96 41.30 2jtc s TYR 71 CO 0.01 -0.38 0.43 0.99 -2.51 0.00 0.00 175.55 174.09 2jtc s THR 72 N -1.85 5.08 0.71 -3.49 2.01 -1.26 -1.50 115.64 115.34 2jtc s THR 72 Ca 0.02 0.88 -0.16 0.00 0.31 0.00 0.00 61.69 62.73 2jtc s THR 72 Cb -0.01 -3.75 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 2jtc s THR 72 CO -0.02 0.48 0.64 -0.11 -0.69 0.00 0.00 174.62 174.92 2jtc n LEU 73 N 2.53 1.53 -4.76 4.42 7.94 0.13 -4.86 117.00 123.94 2jtc n LEU 73 Ca -0.11 0.63 -0.41 0.00 -1.11 0.00 0.00 56.01 55.00 2jtc n LEU 73 Cb 0.52 -1.26 -0.01 0.00 0.53 0.00 0.00 43.42 43.20 2jtc n LEU 73 CO 0.40 -2.82 1.18 -0.55 -1.11 0.00 0.00 177.39 174.49 2jtc s SER 74 N -1.48 6.41 0.00 1.96 0.15 -1.26 -4.84 113.70 114.64 2jtc s SER 74 Ca 0.68 2.94 0.07 0.00 0.70 0.00 0.00 55.95 60.34 2jtc s SER 74 Cb -0.36 -2.65 0.32 0.00 -1.71 0.00 0.00 66.02 61.63 2jtc s SER 74 CO 0.56 -0.86 1.14 -1.54 1.20 0.00 0.00 173.24 173.74 2jtc n SER 75 N 1.55 0.00 -0.55 5.45 3.41 -1.26 -0.97 113.62 121.25 2jtc n SER 75 Ca 0.05 0.34 0.11 0.00 -0.26 0.00 0.00 58.87 59.11 2jtc n SER 75 Cb 0.38 -0.39 0.02 0.00 -0.26 0.00 0.00 64.21 63.97 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 -1.39 2.12 -4.60 4.04 2.85 -1.26 -4.89 115.26 112.13 2jtc n ASN 76 Ca 0.02 -1.56 -0.43 0.00 -0.11 0.00 0.00 54.58 52.51 2jtc n ASN 76 Cb 0.07 0.41 -0.03 0.00 1.24 0.00 0.00 39.78 41.47 2jtc n ASN 76 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 2jtc s ASN 77 N -2.42 6.02 -0.06 1.20 3.84 -0.14 -4.83 114.94 118.55 2jtc s ASN 77 Ca 0.20 1.18 0.08 0.00 0.21 0.00 0.00 52.86 54.53 2jtc s ASN 77 Cb 0.18 -2.53 0.32 0.00 -0.55 0.00 0.00 41.25 38.68 2jtc s ASN 77 CO 0.54 -1.63 1.13 -0.81 -2.79 0.00 0.00 177.10 173.54 2jtc n PRO 78 N 8.33 2.27 -0.05 0.43 -0.04 -1.26 -3.94 135.00 140.74 2jtc n PRO 78 Ca 0.21 -1.27 -0.03 0.00 -0.04 0.00 0.00 63.50 62.37 2jtc n PRO 78 Cb 0.47 -1.57 -0.12 0.00 -0.04 0.00 0.00 33.50 32.24 2jtc n PRO 78 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2jtc n TYR 79 N 0.35 0.00 -4.48 0.54 4.01 -1.26 -3.41 117.16 112.90 2jtc n TYR 79 Ca 0.11 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.60 2jtc n TYR 79 Cb 0.49 -0.62 -0.10 0.00 -0.31 0.00 0.00 39.34 38.80 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 -2.55 2.43 0.00 -0.72 0.40 -1.25 0.28 117.98 116.57 2jtc s PHE 80 Ca -0.07 -0.46 0.00 0.00 -0.60 0.00 0.00 56.93 55.80 2jtc s PHE 80 Cb 0.06 -1.37 0.00 0.00 0.51 0.00 0.00 43.02 42.22 2jtc s PHE 80 CO 0.61 0.57 0.45 0.09 0.70 0.00 0.00 175.22 177.64 2jtc n ASN 81 N -0.82 0.00 0.00 1.36 3.02 -1.26 -4.91 115.26 112.65 2jtc n ASN 81 Ca -0.05 0.45 0.00 0.00 -0.03 0.00 0.00 54.58 54.95 2jtc n ASN 81 Cb 0.63 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.80 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 -0.73 0.00 -1.02 3.10 8.25 -1.26 -4.94 115.22 118.61 2jtc n HIS 82 Ca 0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.21 2jtc n HIS 82 Cb 0.00 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.05 2jtc n HIS 82 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2jtc n PRO 83 N 0.00 2.66 -3.55 -0.41 -0.04 -1.26 -4.15 135.00 128.24 2jtc n PRO 83 Ca 0.00 -1.58 -0.41 0.00 -0.04 0.00 0.00 63.50 61.47 2jtc n PRO 83 Cb 0.00 -2.43 -0.09 0.00 -0.04 0.00 0.00 33.50 30.94 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 2.18 2.66 -0.19 0.54 2.47 -1.26 -4.97 119.74 121.16 2jtc s LYS 84 Ca 0.58 -1.49 -0.10 0.00 -1.56 0.00 0.00 55.97 53.40 2jtc s LYS 84 Cb 0.19 -3.87 -0.05 0.00 -1.46 0.00 0.00 37.83 32.64 2jtc s LYS 84 CO -0.03 -1.01 0.13 -0.80 0.16 0.00 0.00 175.35 173.80 2jtc s ASN 85 N 2.31 6.22 -0.13 1.43 0.01 -1.26 0.22 114.94 123.75 2jtc s ASN 85 Ca 0.04 0.25 -0.06 0.00 -0.71 0.00 0.00 52.86 52.38 2jtc s ASN 85 Cb -0.24 -2.09 -0.04 0.00 0.41 0.00 0.00 41.25 39.29 2jtc s ASN 85 CO 0.02 0.19 0.09 -0.76 -1.51 0.00 0.00 177.10 175.14 2jtc s LEU 86 N 0.27 4.07 -0.09 0.60 1.02 -0.56 -4.93 118.68 119.06 2jtc s LEU 86 Ca 0.09 0.30 0.03 0.00 0.02 0.00 0.00 54.13 54.57 2jtc s LEU 86 Cb -0.11 -1.99 0.01 0.00 0.02 0.00 0.00 46.19 44.12 2jtc s LEU 86 CO -0.02 0.35 -0.17 0.12 0.02 0.00 0.00 176.35 176.65 2jtc s PHE 87 N -0.67 1.95 -0.30 0.29 2.19 -1.26 -2.48 117.98 117.69 2jtc s PHE 87 Ca 0.12 -0.80 -0.07 0.00 0.33 0.00 0.00 56.93 56.52 2jtc s PHE 87 Cb -0.12 -1.37 0.01 0.00 -1.31 0.00 0.00 43.02 40.24 2jtc s PHE 87 CO 0.02 -0.37 0.09 0.00 1.83 0.00 0.00 175.22 176.80 2jtc s ALA 88 N 0.61 3.08 -0.00 11.12 0.00 0.32 -4.96 121.76 131.93 2jtc s ALA 88 Ca -0.15 -1.49 -0.04 0.00 0.00 0.00 0.00 51.96 50.28 2jtc s ALA 88 Cb -0.16 -2.19 -0.18 0.00 0.00 0.00 0.00 23.12 20.59 2jtc s ALA 88 CO 0.04 -0.99 2.57 0.00 0.00 0.00 0.00 175.76 177.38 2jtc n ALA 89 N 4.87 4.55 -0.07 0.00 0.00 -1.26 -1.76 120.51 126.85 2jtc n ALA 89 Ca -0.14 -1.21 -0.07 0.00 0.00 0.00 0.00 53.44 52.02 2jtc n ALA 89 Cb 0.48 -2.30 -0.01 0.00 0.00 0.00 0.00 19.45 17.62 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 2.34 0.53 -1.39 0.00 2.04 -1.88 0.53 117.51 119.68 2jtc h ILE 90 Ca 0.13 0.00 0.40 0.00 1.00 0.00 0.00 64.86 66.39 2jtc h ILE 90 Cb 1.00 0.53 -0.06 0.00 -0.74 0.00 0.00 36.82 37.56 2jtc h ILE 90 CO 0.33 0.00 1.06 0.77 0.00 0.00 0.00 178.15 180.31 2jtc h SER 91 N -0.13 0.00 -0.35 1.72 4.64 -1.74 1.62 113.55 119.31 2jtc h SER 91 Ca 0.15 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.28 2jtc h SER 91 Cb 0.35 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.33 2jtc h SER 91 CO -0.36 0.00 -0.11 0.35 -0.87 0.00 0.00 176.83 175.84 2jtc n THR 92 N -3.97 2.56 -3.09 2.95 -2.24 0.17 -4.54 114.28 106.12 2jtc n THR 92 Ca 0.31 -2.81 -0.32 0.00 -2.27 0.00 0.00 64.05 58.95 2jtc n THR 92 Cb 1.50 -0.34 -0.06 0.00 -2.10 0.00 0.00 70.33 69.34 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 -3.27 3.99 -0.55 -0.78 1.81 0.55 -4.88 118.95 115.82 2jtc s ARG 93 Ca 0.45 0.68 0.01 0.00 -1.72 0.00 0.00 55.73 55.14 2jtc s ARG 93 Cb 0.41 -2.41 0.14 0.00 -0.45 0.00 0.00 34.95 32.64 2jtc s ARG 93 CO -0.01 0.13 0.32 -0.65 -0.68 0.00 0.00 175.30 174.40 2jtc s GLN 94 N -3.08 2.18 -0.97 3.54 -1.52 -1.26 -2.12 119.66 116.43 2jtc s GLN 94 Ca 0.54 -2.52 -0.23 0.00 -1.95 0.00 0.00 55.36 51.20 2jtc s GLN 94 Cb -0.10 -3.48 0.06 0.00 -0.22 0.00 0.00 33.01 29.27 2jtc s GLN 94 CO 0.18 -1.12 1.39 0.71 -0.25 0.00 0.00 175.29 176.20 2jtc s TYR 95 N -0.10 2.56 -1.10 0.91 2.02 0.59 -4.92 117.35 117.32 2jtc s TYR 95 Ca 0.16 -0.80 -0.22 0.00 -0.37 0.00 0.00 57.07 55.85 2jtc s TYR 95 Cb -0.23 -4.64 0.05 0.00 -0.40 0.00 0.00 41.96 36.74 2jtc s TYR 95 CO -0.02 -1.91 1.54 1.21 -1.57 0.00 0.00 175.55 174.81 2jtc s ASN 96 N 4.68 6.56 0.00 2.29 3.84 -1.26 -4.48 114.94 126.57 2jtc s ASN 96 Ca 0.43 -1.72 0.02 0.00 0.21 0.00 0.00 52.86 51.80 2jtc s ASN 96 Cb -0.02 -2.57 0.08 0.00 -0.55 0.00 0.00 41.25 38.19 2jtc s ASN 96 CO -0.07 -1.45 0.98 0.79 -2.79 0.00 0.00 177.10 174.57 2jtc n TRP 97 N 8.87 0.00 0.31 0.43 7.02 -1.26 0.01 117.44 132.81 2jtc n TRP 97 Ca 0.38 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.97 2jtc n TRP 97 Cb 0.50 -0.42 0.05 0.00 -2.42 0.00 0.00 31.31 29.02 2jtc n TRP 97 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 2jtc n ASN 98 N -1.42 0.75 -0.08 -0.99 5.15 -1.26 -3.88 115.26 113.54 2jtc n ASN 98 Ca 0.01 0.18 -0.05 0.00 -0.60 0.00 0.00 54.58 54.12 2jtc n ASN 98 Cb 0.02 0.45 -0.16 0.00 -0.53 0.00 0.00 39.78 39.55 2jtc n ASN 98 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2jtc n ASN 99 N -2.40 0.04 -3.49 1.20 3.02 0.10 -4.55 115.26 109.18 2jtc n ASN 99 Ca 0.01 0.02 -0.37 0.00 -0.03 0.00 0.00 54.58 54.21 2jtc n ASN 99 Cb 0.50 1.18 -0.03 0.00 -0.61 0.00 0.00 39.78 40.82 2jtc n ASN 99 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 2jtc n ILE 100 N -2.65 2.74 -1.42 2.41 5.41 -0.11 -4.50 119.36 121.24 2jtc n ILE 100 Ca -0.26 -2.04 -0.39 0.00 1.00 0.00 0.00 62.75 61.06 2jtc n ILE 100 Cb 1.02 -2.39 0.03 0.00 -0.71 0.00 0.00 39.64 37.59 2jtc n ILE 100 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2jtc n LEU 101 N 5.74 -0.29 0.17 1.39 4.77 -1.26 -4.87 117.00 122.65 2jtc n LEU 101 Ca 0.53 0.75 0.05 0.00 -0.03 0.00 0.00 56.01 57.31 2jtc n LEU 101 Cb 0.31 -1.10 0.12 0.00 -2.33 0.00 0.00 43.42 40.42 2jtc n LEU 101 CO 0.89 -3.39 0.58 1.55 -1.33 0.00 0.00 177.39 175.70 2jtc h PRO 102 N 0.29 0.00 -3.61 3.23 0.13 -1.84 -3.44 132.00 126.75 2jtc h PRO 102 Ca -0.44 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.34 2jtc h PRO 102 Cb 1.41 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 32.19 2jtc h PRO 102 CO 0.47 0.37 -0.75 -0.08 -0.23 0.00 0.00 178.00 177.78 2jtc s THR 103 N -3.11 0.12 0.09 1.56 -1.32 -1.14 0.27 115.64 112.10 2jtc s THR 103 Ca 0.04 0.17 0.07 0.00 -1.21 0.00 0.00 61.69 60.76 2jtc s THR 103 Cb 0.07 -0.26 -0.04 0.00 -1.51 0.00 0.00 72.50 70.77 2jtc s THR 103 CO 0.72 0.16 -0.12 -0.31 -2.21 0.00 0.00 174.62 172.86 2jtc s TYR 104 N 1.37 2.71 -0.85 9.09 2.02 -1.23 -4.94 117.35 125.52 2jtc s TYR 104 Ca -0.05 -0.17 0.17 0.00 -0.37 0.00 0.00 57.07 56.65 2jtc s TYR 104 Cb -0.13 -1.44 -0.18 0.00 -0.40 0.00 0.00 41.96 39.80 2jtc s TYR 104 CO -0.03 0.40 0.75 -1.13 -1.57 0.00 0.00 175.55 173.97 2jtc n SER 105 N 0.90 0.86 0.00 2.29 3.41 -1.26 -4.95 113.62 114.86 2jtc n SER 105 Ca -0.14 -0.93 0.00 0.00 -0.26 0.00 0.00 58.87 57.54 2jtc n SER 105 Cb 0.52 0.98 0.00 0.00 -0.26 0.00 0.00 64.21 65.46 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 1.41 0.72 0.00 5.00 0.00 -1.26 -4.85 105.19 106.20 2jtc n GLY 106 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.57 -0.88 1.61 1.74 -1.26 -4.93 116.66 110.37 2jtc n ARG 107 Ca 0.00 -0.60 -0.30 0.00 -0.77 0.00 0.00 57.85 56.18 2jtc n ARG 107 Cb 0.00 -1.00 0.18 0.00 -1.02 0.00 0.00 32.46 30.62 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 -0.11 0.49 1.11 5.56 8.01 -1.26 -4.97 118.70 127.54 2jtc s GLU 108 Ca 0.00 0.99 -0.13 0.00 0.01 0.00 0.00 54.97 55.84 2jtc s GLU 108 Cb 0.00 -1.71 0.22 0.00 -4.31 0.00 0.00 34.13 28.34 2jtc s GLU 108 CO 0.00 -2.82 0.86 0.45 0.01 0.00 0.00 175.26 173.76 2jtc n SER 109 N -4.30 -1.46 0.05 -0.19 2.88 -1.26 -4.81 113.62 104.53 2jtc n SER 109 Ca 0.07 -0.02 -0.08 0.00 -1.33 0.00 0.00 58.87 57.51 2jtc n SER 109 Cb 0.54 -1.26 0.07 0.00 -0.75 0.00 0.00 64.21 62.82 2jtc n SER 109 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 2jtc h ASN 110 N -2.40 0.43 0.18 -3.46 2.35 -1.98 -2.71 115.58 108.00 2jtc h ASN 110 Ca -0.56 -0.26 0.01 0.00 -0.55 0.00 0.00 56.30 54.94 2jtc h ASN 110 Cb 1.32 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 39.52 2jtc h ASN 110 CO 0.45 0.96 -0.48 0.58 -1.65 0.00 0.00 177.43 177.29 2jtc h VAL 111 N 0.27 0.06 -0.57 2.81 2.07 -1.98 1.98 116.25 120.90 2jtc h VAL 111 Ca -0.01 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 2jtc h VAL 111 Cb 1.18 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 2jtc h VAL 111 CO 0.11 0.00 0.28 1.56 0.02 0.00 0.00 177.57 179.54 2jtc h GLN 112 N -0.76 0.79 -0.38 1.57 7.50 -1.79 -0.18 115.11 121.87 2jtc h GLN 112 Ca -0.00 -0.09 -0.05 0.00 0.50 0.00 0.00 58.65 59.00 2jtc h GLN 112 Cb 0.75 -0.16 -0.01 0.00 0.05 0.00 0.00 27.48 28.11 2jtc h GLN 112 CO -0.24 0.61 0.03 0.87 -1.50 0.00 0.00 178.83 178.61 2jtc h LYS 113 N 0.80 0.64 -0.61 1.46 1.57 -0.85 -2.02 116.57 117.57 2jtc h LYS 113 Ca 0.20 -0.19 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 2jtc h LYS 113 Cb 0.07 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 2jtc h LYS 113 CO -0.03 0.73 0.40 1.98 -0.57 0.00 0.00 179.45 181.96 2jtc h MET 114 N 0.47 0.73 0.24 3.15 4.05 0.40 0.85 114.93 124.83 2jtc h MET 114 Ca 0.11 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.48 2jtc h MET 114 Cb 0.41 -0.17 -0.00 0.00 -0.80 0.00 0.00 31.60 31.05 2jtc h MET 114 CO 0.01 0.48 -0.17 0.00 0.23 0.00 0.00 176.91 177.47 2jtc h ALA 115 N 1.64 -0.99 -0.64 0.39 0.00 -0.34 0.52 119.26 119.84 2jtc h ALA 115 Ca 0.24 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 2jtc h ALA 115 Cb 0.02 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2jtc h ALA 115 CO -0.06 -0.98 0.05 0.97 0.00 0.00 0.00 179.25 179.23 2jtc h ILE 116 N -0.39 1.27 -0.84 0.00 6.09 -1.27 -0.81 117.51 121.54 2jtc h ILE 116 Ca -0.03 -1.10 0.06 0.00 -1.37 0.00 0.00 64.86 62.41 2jtc h ILE 116 Cb 0.32 0.73 -0.06 0.00 0.47 0.00 0.00 36.82 38.28 2jtc h ILE 116 CO 0.02 0.41 0.52 0.77 -3.07 0.00 0.00 178.15 176.80 2jtc h SER 117 N 1.00 0.82 -0.37 2.19 4.64 0.82 0.19 113.55 122.84 2jtc h SER 117 Ca 0.19 0.02 -0.15 0.00 -0.47 0.00 0.00 61.79 61.37 2jtc h SER 117 Cb 0.51 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 2jtc h SER 117 CO 0.02 0.53 -0.36 -0.08 -0.87 0.00 0.00 176.83 176.07 2jtc h GLU 118 N 0.96 0.89 -0.08 4.77 4.81 0.36 0.47 114.58 126.76 2jtc h GLU 118 Ca 0.37 -0.47 0.04 0.00 -0.13 0.00 0.00 59.36 59.16 2jtc h GLU 118 Cb 0.16 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.51 2jtc h GLU 118 CO -0.17 1.12 -0.17 1.25 -0.73 0.00 0.00 179.01 180.31 2jtc h LEU 119 N 0.70 -0.51 -0.56 1.64 5.85 0.14 1.71 115.31 124.28 2jtc h LEU 119 Ca 0.06 0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.89 2jtc h LEU 119 Cb 0.95 0.23 -0.04 0.00 0.37 0.00 0.00 40.66 42.17 2jtc h LEU 119 CO 0.09 -0.22 0.33 0.24 -0.34 0.00 0.00 178.44 178.54 2jtc h MET 120 N -0.24 0.64 -0.64 1.25 2.86 -0.52 1.81 114.93 120.09 2jtc h MET 120 Ca 0.08 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.62 2jtc h MET 120 Cb 0.35 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.84 2jtc h MET 120 CO -0.22 0.42 0.14 0.00 1.06 0.00 0.00 176.91 178.31 2jtc h ALA 121 N 1.25 1.03 -0.30 6.32 0.00 0.37 2.25 119.26 130.19 2jtc h ALA 121 Ca 0.23 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 2jtc h ALA 121 Cb 0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2jtc h ALA 121 CO -0.10 0.63 -0.23 -0.44 0.00 0.00 0.00 179.25 179.11 2jtc h ASP 122 N 0.97 0.71 0.35 0.00 3.32 0.37 -1.39 116.42 120.75 2jtc h ASP 122 Ca 0.20 -0.45 -0.02 0.00 0.02 0.00 0.00 57.03 56.79 2jtc h ASP 122 Cb 0.37 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.72 2jtc h ASP 122 CO 0.00 1.01 -0.17 0.58 -1.72 0.00 0.00 179.24 178.95 2jtc h VAL 123 N 0.42 0.00 -0.82 -1.35 2.07 0.33 0.69 116.25 117.60 2jtc h VAL 123 Ca 0.06 -0.43 0.20 0.00 0.82 0.00 0.00 66.70 67.34 2jtc h VAL 123 Cb 0.78 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.42 2jtc h VAL 123 CO 0.06 0.00 0.15 1.23 0.02 0.00 0.00 177.57 179.03 2jtc h GLY 124 N -0.90 1.13 0.76 2.17 0.00 0.36 0.10 103.07 106.70 2jtc h GLY 124 Ca -0.05 0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 2jtc h GLY 124 CO 0.08 -0.32 -0.28 -2.22 0.00 0.00 0.00 176.54 173.80 2jtc h ILE 125 N 0.18 0.29 -1.33 2.60 2.04 -1.30 1.10 117.51 121.09 2jtc h ILE 125 Ca 0.49 -0.33 0.39 0.00 1.00 0.00 0.00 64.86 66.40 2jtc h ILE 125 Cb 0.92 0.38 -0.06 0.00 -0.74 0.00 0.00 36.82 37.32 2jtc h ILE 125 CO -0.64 0.04 0.94 0.77 0.00 0.00 0.00 178.15 179.26 2jtc h SER 126 N -1.03 0.06 -0.97 1.72 4.64 0.92 0.89 113.55 119.77 2jtc h SER 126 Ca -0.08 0.02 -0.63 0.00 -0.47 0.00 0.00 61.79 60.63 2jtc h SER 126 Cb 0.66 0.01 -0.30 0.00 -0.31 0.00 0.00 62.40 62.46 2jtc h SER 126 CO 0.13 -0.00 0.72 1.33 -0.87 0.00 0.00 176.83 178.13 2jtc n VAL 127 N -4.22 3.47 -4.41 0.95 0.24 0.18 -4.69 118.33 109.85 2jtc n VAL 127 Ca 0.30 -2.80 -0.39 0.00 -2.04 0.00 0.00 64.34 59.40 2jtc n VAL 127 Cb 1.37 -1.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.65 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 -0.96 -1.19 -4.67 -1.34 9.92 0.31 -4.15 116.55 114.47 2jtc n ASP 128 Ca 0.61 -1.22 -0.46 0.00 -0.53 0.00 0.00 54.79 53.19 2jtc n ASP 128 Cb 0.89 -1.55 -0.04 0.00 -0.64 0.00 0.00 41.12 39.78 2jtc n ASP 128 CO 0.00 0.00 0.00 0.80 0.13 0.00 0.00 177.20 178.13 2jtc n MET 129 N -4.06 2.19 -2.58 -1.24 0.00 0.38 -4.65 117.12 107.17 2jtc n MET 129 Ca 0.02 0.79 -0.42 0.00 -0.00 0.00 0.00 57.70 58.09 2jtc n MET 129 Cb 0.49 -2.58 -0.03 0.00 0.00 0.00 0.00 33.22 31.10 2jtc n MET 129 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 2jtc s ASP 130 N 1.49 7.16 -0.23 6.12 -1.08 0.25 -4.84 116.67 125.55 2jtc s ASP 130 Ca 0.81 1.69 -0.06 0.00 -0.52 0.00 0.00 52.55 54.47 2jtc s ASP 130 Cb -0.67 -2.56 -0.02 0.00 -1.46 0.00 0.00 42.92 38.21 2jtc s ASP 130 CO 0.40 -0.49 0.03 -0.31 0.52 0.00 0.00 175.17 175.32 2jtc s TYR 131 N 1.94 3.04 0.00 -5.34 2.02 -1.26 -1.73 117.35 116.02 2jtc s TYR 131 Ca 0.52 -0.58 0.00 0.00 -0.37 0.00 0.00 57.07 56.65 2jtc s TYR 131 Cb -0.22 -2.18 0.00 0.00 -0.40 0.00 0.00 41.96 39.16 2jtc s TYR 131 CO 0.21 -0.39 0.00 0.41 -1.57 0.00 0.00 175.55 174.21 2jtc n GLY 132 N 4.78 3.57 0.25 0.71 0.00 -1.26 -4.84 105.19 108.40 2jtc n GLY 132 Ca -0.17 -1.16 0.07 0.00 0.00 0.00 0.00 46.02 44.76 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 0.03 -6.14 1.61 0.13 -1.90 -1.68 132.00 124.05 2jtc h PRO 133 Ca 0.00 -0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.44 2jtc h PRO 133 Cb 0.00 -0.01 -0.20 0.00 0.13 0.00 0.00 31.00 30.92 2jtc h PRO 133 CO 0.00 0.09 -0.71 -1.12 -0.23 0.00 0.00 178.00 176.03 2jtc s SER 134 N -7.02 4.54 -0.27 1.44 0.01 -1.26 -3.64 113.70 107.50 2jtc s SER 134 Ca -0.05 -0.06 -0.01 0.00 1.31 0.00 0.00 55.95 57.14 2jtc s SER 134 Cb 0.17 -1.14 0.04 0.00 0.21 0.00 0.00 66.02 65.29 2jtc s SER 134 CO 0.68 0.35 -0.05 -0.44 0.41 0.00 0.00 173.24 174.20 2jtc s SER 135 N -0.75 4.51 -0.13 2.44 0.01 -1.26 -4.61 113.70 113.91 2jtc s SER 135 Ca 0.11 -1.07 -0.04 0.00 1.31 0.00 0.00 55.95 56.27 2jtc s SER 135 Cb -0.11 -1.66 -0.03 0.00 0.21 0.00 0.00 66.02 64.42 2jtc s SER 135 CO 0.01 -0.18 -0.01 -0.83 0.41 0.00 0.00 173.24 172.65 2jtc s GLY 136 N 1.27 1.80 0.00 3.44 0.00 -0.71 -3.73 107.32 109.39 2jtc s GLY 136 Ca -0.03 -0.80 0.00 0.00 0.00 0.00 0.00 44.72 43.89 2jtc s GLY 136 CO -0.03 -0.24 0.00 -1.26 0.00 0.00 0.00 173.10 171.57 2jtc n SER 137 N 3.01 1.83 -0.07 1.64 2.88 -1.26 0.87 113.62 122.52 2jtc n SER 137 Ca -0.18 -0.21 -0.05 0.00 -1.33 0.00 0.00 58.87 57.10 2jtc n SER 137 Cb 0.53 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.97 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 0.51 0.00 -1.46 0.00 -1.26 -2.80 120.51 112.50 2jtc n ALA 138 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.96 2jtc n ALA 138 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.47 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 1.59 0.46 0.42 0.00 0.00 -1.26 -2.13 105.19 104.26 2jtc n GLY 139 Ca -0.08 -1.20 -0.12 0.00 0.00 0.00 0.00 46.02 44.62 2jtc n GLY 139 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2jtc h SER 140 N 0.00 -1.50 -1.09 1.61 0.02 -1.94 1.01 113.55 111.66 2jtc h SER 140 Ca 0.00 0.20 0.30 0.00 -0.84 0.00 0.00 61.79 61.46 2jtc h SER 140 Cb 0.00 0.62 -0.11 0.00 0.14 0.00 0.00 62.40 63.06 2jtc h SER 140 CO 0.00 -0.41 0.69 0.77 -1.14 0.00 0.00 176.83 176.74 2jtc h SER 141 N -0.44 0.42 0.08 3.07 4.64 -1.97 2.00 113.55 121.35 2jtc h SER 141 Ca 0.09 0.10 -0.11 0.00 -0.47 0.00 0.00 61.79 61.40 2jtc h SER 141 Cb 0.62 0.04 0.01 0.00 -0.31 0.00 0.00 62.40 62.77 2jtc h SER 141 CO -0.50 0.02 -0.49 0.03 -0.87 0.00 0.00 176.83 175.02 2jtc h ARG 142 N 0.34 0.18 0.39 4.77 2.47 -1.23 -2.99 114.38 118.30 2jtc h ARG 142 Ca 0.65 -0.31 -0.02 0.00 -1.26 0.00 0.00 59.98 59.04 2jtc h ARG 142 Cb 1.72 0.11 0.00 0.00 -1.65 0.00 0.00 29.97 30.15 2jtc h ARG 142 CO -0.35 1.14 -0.19 0.28 0.56 0.00 0.00 179.97 181.41 2jtc h VAL 143 N -0.61 0.47 -0.65 2.04 2.07 0.39 0.37 116.25 120.33 2jtc h VAL 143 Ca -0.08 -0.60 0.09 0.00 0.82 0.00 0.00 66.70 66.93 2jtc h VAL 143 Cb 1.38 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 31.81 2jtc h VAL 143 CO 0.09 0.09 0.43 0.06 0.02 0.00 0.00 177.57 178.26 2jtc h GLN 144 N -0.93 0.50 0.07 1.57 -0.00 0.28 0.75 115.11 117.35 2jtc h GLN 144 Ca -0.05 -0.03 -0.21 0.00 -0.00 0.00 0.00 58.65 58.36 2jtc h GLN 144 Cb 0.55 -0.11 0.02 0.00 -0.00 0.00 0.00 27.48 27.93 2jtc h GLN 144 CO 0.09 0.33 -0.86 -0.09 -0.00 0.00 0.00 178.83 178.30 2jtc h ARG 145 N 0.51 0.46 -0.10 0.06 2.43 -1.46 -3.18 114.38 113.11 2jtc h ARG 145 Ca 0.30 -0.59 -0.12 0.00 -0.81 0.00 0.00 59.98 58.76 2jtc h ARG 145 Cb 0.48 0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 2jtc h ARG 145 CO -0.09 1.23 -0.47 0.00 -1.51 0.00 0.00 179.97 179.13 2jtc h ALA 146 N 0.26 1.02 -0.15 2.80 0.00 0.59 0.13 119.26 123.91 2jtc h ALA 146 Ca -0.13 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.33 2jtc h ALA 146 Cb 1.58 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 2jtc h ALA 146 CO 0.17 0.63 0.09 -0.07 0.00 0.00 0.00 179.25 180.07 2jtc h LEU 147 N 0.21 0.18 0.10 0.00 3.38 0.42 0.12 115.31 119.72 2jtc h LEU 147 Ca 0.01 -0.05 -0.27 0.00 0.09 0.00 0.00 57.88 57.67 2jtc h LEU 147 Cb 0.90 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 2jtc h LEU 147 CO 0.07 0.17 -1.40 0.11 0.09 0.00 0.00 178.44 177.49 2jtc h LYS 148 N 0.17 0.21 -0.11 1.13 1.57 -1.52 0.38 116.57 118.40 2jtc h LYS 148 Ca 0.05 -0.36 -0.02 0.00 -1.87 0.00 0.00 60.65 58.45 2jtc h LYS 148 Cb 0.03 0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 2jtc h LYS 148 CO -0.01 1.17 -0.03 0.93 -0.57 0.00 0.00 179.45 180.95 2jtc h GLU 149 N -0.37 0.22 0.04 3.15 5.08 -0.81 -1.53 114.58 120.37 2jtc h GLU 149 Ca -0.31 -0.08 -0.36 0.00 -1.00 0.00 0.00 59.36 57.61 2jtc h GLU 149 Cb 1.71 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.91 2jtc h GLU 149 CO 0.03 0.52 -2.05 0.09 -1.00 0.00 0.00 179.01 176.60 2jtc n ASN 150 N -4.75 2.00 -1.60 1.42 5.03 0.21 -4.36 115.26 113.22 2jtc n ASN 150 Ca -0.06 0.20 0.09 0.00 0.87 0.00 0.00 54.58 55.67 2jtc n ASN 150 Cb 0.24 -0.77 0.36 0.00 -1.02 0.00 0.00 39.78 38.59 2jtc n ASN 150 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 2jtc n PHE 151 N -3.79 1.59 -3.51 3.10 3.72 0.02 -2.61 117.46 115.98 2jtc n PHE 151 Ca -0.40 -0.67 -0.28 0.00 -0.05 0.00 0.00 57.45 56.05 2jtc n PHE 151 Cb 0.92 -0.33 -0.05 0.00 -0.94 0.00 0.00 39.48 39.08 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 0.82 -0.27 3.69 1.37 0.00 0.23 -4.62 105.19 106.41 2jtc n GLY 152 Ca 0.26 0.05 -0.31 0.00 0.00 0.00 0.00 46.02 46.01 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 1.79 0.37 1.61 1.51 0.11 -4.82 117.35 115.44 2jtc s TYR 153 Ca 0.55 1.75 -0.24 0.00 -1.01 0.00 0.00 57.07 58.12 2jtc s TYR 153 Cb -0.32 -3.30 -0.13 0.00 -0.11 0.00 0.00 41.96 38.10 2jtc s TYR 153 CO 0.68 -2.64 0.68 -1.71 -1.11 0.00 0.00 175.55 171.45 2jtc n ASN 154 N -4.07 -0.27 0.26 2.29 2.85 0.19 -4.62 115.26 111.89 2jtc n ASN 154 Ca 0.11 1.00 0.12 0.00 -0.11 0.00 0.00 54.58 55.70 2jtc n ASN 154 Cb 0.52 -1.16 0.66 0.00 1.24 0.00 0.00 39.78 41.04 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 1.12 0.00 0.00 1.20 5.75 -1.87 -0.74 115.11 120.57 2jtc h GLN 155 Ca -0.39 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.11 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 0.54 0.00 0.29 0.66 -2.65 0.00 0.00 178.83 177.67 2jtc h SER 156 N 0.00 0.00 -2.77 -0.69 4.64 -1.84 -3.40 113.55 109.49 2jtc h SER 156 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 2jtc h SER 156 Cb 0.57 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.69 2jtc h SER 156 CO 0.00 0.00 0.93 -0.69 -0.87 0.00 0.00 176.83 176.20 2jtc s VAL 157 N -3.68 2.81 -0.01 0.95 1.01 -0.29 -4.58 120.40 116.62 2jtc s VAL 157 Ca -0.02 0.47 -0.11 0.00 0.00 0.00 0.00 61.98 62.31 2jtc s VAL 157 Cb 0.06 -3.30 0.01 0.00 0.00 0.00 0.00 36.38 33.15 2jtc s VAL 157 CO 0.19 0.02 0.23 -1.38 0.00 0.00 0.00 175.10 174.17 2jtc s HIS 158 N 1.79 -0.09 -0.12 5.22 -3.43 -1.16 -4.99 115.29 112.51 2jtc s HIS 158 Ca 0.72 0.11 -0.07 0.00 -0.80 0.00 0.00 55.06 55.02 2jtc s HIS 158 Cb -0.42 0.03 -0.04 0.00 -1.43 0.00 0.00 32.58 30.73 2jtc s HIS 158 CO 0.32 -0.34 0.13 -1.14 -2.00 0.00 0.00 174.74 171.71 2jtc s GLN 159 N -1.30 3.40 0.22 -0.38 0.74 -1.26 -1.56 119.66 119.53 2jtc s GLN 159 Ca -0.14 -0.16 0.10 0.00 0.05 0.00 0.00 55.36 55.22 2jtc s GLN 159 Cb -0.06 -3.15 -0.05 0.00 1.10 0.00 0.00 33.01 30.85 2jtc s GLN 159 CO 0.03 0.77 -0.19 0.96 -0.55 0.00 0.00 175.29 176.31 2jtc s ILE 160 N -1.00 2.16 -0.34 -2.34 -4.36 0.22 -4.90 121.20 110.63 2jtc s ILE 160 Ca 0.15 -2.20 0.01 0.00 -0.26 0.00 0.00 60.65 58.34 2jtc s ILE 160 Cb -0.12 -2.12 0.09 0.00 1.25 0.00 0.00 42.46 41.56 2jtc s ILE 160 CO 0.04 -0.38 0.06 0.20 0.24 0.00 0.00 174.94 175.10 2jtc s ASN 161 N -3.15 4.89 0.56 4.36 0.01 -1.26 0.45 114.94 120.80 2jtc s ASN 161 Ca 0.24 -1.82 0.35 0.00 -0.71 0.00 0.00 52.86 50.92 2jtc s ASN 161 Cb -0.05 -1.69 1.48 0.00 0.41 0.00 0.00 41.25 41.40 2jtc s ASN 161 CO 0.11 -0.37 1.75 -0.09 -1.51 0.00 0.00 177.10 176.98 2jtc h ARG 162 N 7.84 0.00 -0.15 -0.60 9.65 -1.53 0.64 114.38 130.24 2jtc h ARG 162 Ca -0.13 0.00 -0.11 0.00 -1.10 0.00 0.00 59.98 58.65 2jtc h ARG 162 Cb 1.04 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.61 2jtc h ARG 162 CO 0.56 0.00 -0.38 0.78 2.80 0.00 0.00 179.97 183.73 2jtc h GLY 163 N 0.00 0.35 -2.62 2.80 0.00 -1.93 -3.09 103.07 98.59 2jtc h GLY 163 Ca 0.52 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.52 2jtc h GLY 163 CO -0.01 0.30 0.00 1.22 0.00 0.00 0.00 176.54 178.05 2jtc n ASP 164 N -4.05 4.53 -4.41 0.19 8.00 0.22 -4.97 116.55 116.07 2jtc n ASP 164 Ca -0.01 -2.60 -0.25 0.00 0.71 0.00 0.00 54.79 52.64 2jtc n ASP 164 Cb 0.47 -0.55 -0.11 0.00 -0.02 0.00 0.00 41.12 40.91 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 -2.11 2.16 0.14 1.24 0.40 -0.94 -4.96 117.98 113.92 2jtc s PHE 165 Ca 0.46 -0.39 -0.24 0.00 -0.60 0.00 0.00 56.93 56.16 2jtc s PHE 165 Cb 0.32 -1.04 -0.08 0.00 0.51 0.00 0.00 43.02 42.74 2jtc s PHE 165 CO 0.19 0.50 0.75 -1.54 0.70 0.00 0.00 175.22 175.81 2jtc s SER 166 N -2.87 7.33 0.25 1.36 1.04 -1.26 -4.79 113.70 114.76 2jtc s SER 166 Ca 0.22 1.58 -0.02 0.00 0.48 0.00 0.00 55.95 58.21 2jtc s SER 166 Cb -0.07 -2.48 0.54 0.00 0.10 0.00 0.00 66.02 64.11 2jtc s SER 166 CO 0.10 0.21 1.31 1.17 0.98 0.00 0.00 173.24 177.01 2jtc n LYS 167 N 1.69 -0.07 0.29 4.02 4.81 -1.26 0.73 118.16 128.38 2jtc n LYS 167 Ca -0.06 1.28 -0.15 0.00 -0.87 0.00 0.00 58.31 58.50 2jtc n LYS 167 Cb 0.49 -1.98 -0.08 0.00 0.02 0.00 0.00 35.03 33.48 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 -0.71 0.00 1.64 7.50 -2.00 -1.17 115.11 120.37 2jtc h GLN 168 Ca 0.47 0.05 -0.01 0.00 0.50 0.00 0.00 58.65 59.66 2jtc h GLN 168 Cb 0.87 0.16 -0.00 0.00 0.05 0.00 0.00 27.48 28.56 2jtc h GLN 168 CO -0.82 -0.41 -0.03 -0.44 -1.50 0.00 0.00 178.83 175.63 2jtc h ASP 169 N -0.94 0.00 0.05 1.46 3.32 -1.16 -0.82 116.42 118.33 2jtc h ASP 169 Ca -0.08 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.71 2jtc h ASP 169 Cb 0.63 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.21 2jtc h ASP 169 CO 0.12 0.03 -1.07 -0.25 -1.72 0.00 0.00 179.24 176.35 2jtc h TRP 170 N 0.00 0.99 -0.02 4.55 2.91 0.65 -3.03 115.95 122.00 2jtc h TRP 170 Ca -0.00 -0.57 -0.04 0.00 1.13 0.00 0.00 58.89 59.41 2jtc h TRP 170 Cb 0.20 -0.10 0.00 0.00 -0.51 0.00 0.00 29.16 28.75 2jtc h TRP 170 CO 0.00 1.41 -0.13 0.93 -1.03 0.00 0.00 178.44 179.62 2jtc h GLU 171 N 0.30 0.13 -0.98 2.65 5.08 -0.62 -3.08 114.58 118.05 2jtc h GLU 171 Ca -0.15 -0.11 0.24 0.00 -1.00 0.00 0.00 59.36 58.35 2jtc h GLU 171 Cb 1.74 0.02 -0.13 0.00 0.50 0.00 0.00 28.75 30.89 2jtc h GLU 171 CO 0.21 0.79 0.55 0.00 -1.00 0.00 0.00 179.01 179.55 2jtc h ALA 172 N 0.34 1.71 -0.17 3.43 0.00 -1.28 0.81 119.26 124.10 2jtc h ALA 172 Ca -0.01 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2jtc h ALA 172 Cb 0.82 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2jtc h ALA 172 CO 0.03 -0.30 0.10 1.96 0.00 0.00 0.00 179.25 181.04 2jtc h GLN 173 N 0.53 0.24 -0.00 0.00 1.08 -1.51 -0.49 115.11 114.96 2jtc h GLN 173 Ca 0.63 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.80 2jtc h GLN 173 Cb 1.20 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.58 2jtc h GLN 173 CO -0.49 0.22 -0.00 0.82 -0.95 0.00 0.00 178.83 178.42 2jtc h ILE 174 N 0.19 1.53 -0.82 2.54 2.04 -0.60 -3.02 117.51 119.37 2jtc h ILE 174 Ca 0.06 -1.55 0.14 0.00 1.00 0.00 0.00 64.86 64.51 2jtc h ILE 174 Cb 0.04 2.58 -0.09 0.00 -0.74 0.00 0.00 36.82 38.62 2jtc h ILE 174 CO -0.01 0.40 0.41 0.44 0.00 0.00 0.00 178.15 179.40 2jtc h ASP 175 N -0.66 0.50 -0.62 1.72 3.32 0.47 0.36 116.42 121.51 2jtc h ASP 175 Ca -0.00 0.09 0.11 0.00 0.02 0.00 0.00 57.03 57.25 2jtc h ASP 175 Cb 0.66 0.01 -0.08 0.00 0.22 0.00 0.00 39.33 40.14 2jtc h ASP 175 CO 0.00 0.22 0.17 0.50 -1.72 0.00 0.00 179.24 178.41 2jtc h LYS 176 N 0.61 0.30 -0.05 3.56 3.64 -1.08 1.91 116.57 125.47 2jtc h LYS 176 Ca 0.44 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.83 2jtc h LYS 176 Cb 0.60 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 2jtc h LYS 176 CO -0.35 0.20 -0.13 0.93 -2.27 0.00 0.00 179.45 177.83 2jtc h GLU 177 N 0.31 -0.18 0.00 1.90 4.39 -0.20 -0.75 114.58 120.05 2jtc h GLU 177 Ca 0.33 0.01 -0.04 0.00 0.34 0.00 0.00 59.36 60.00 2jtc h GLU 177 Cb 0.47 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 2jtc h GLU 177 CO -0.38 -0.12 -0.18 -0.07 -1.16 0.00 0.00 179.01 177.10 2jtc h LEU 178 N -0.19 0.00 -1.19 1.33 3.38 0.30 0.26 115.31 119.21 2jtc h LEU 178 Ca 0.06 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.20 2jtc h LEU 178 Cb 0.27 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.94 2jtc h LEU 178 CO -0.16 0.18 0.61 0.77 0.09 0.00 0.00 178.44 179.92 2jtc h SER 179 N 0.00 0.70 -0.90 -0.43 4.64 0.45 0.70 113.55 118.70 2jtc h SER 179 Ca -0.00 0.06 -0.50 0.00 -0.47 0.00 0.00 61.79 60.88 2jtc h SER 179 Cb 0.57 -0.07 -0.28 0.00 -0.31 0.00 0.00 62.40 62.31 2jtc h SER 179 CO 0.02 0.30 0.56 0.00 -0.87 0.00 0.00 176.83 176.84 2jtc n GLN 180 N -4.64 2.29 -3.93 4.77 6.02 -0.99 -4.89 117.38 116.00 2jtc n GLN 180 Ca 0.20 -3.10 -0.26 0.00 -0.01 0.00 0.00 57.00 53.83 2jtc n GLN 180 Cb 0.54 -2.15 -0.01 0.00 1.02 0.00 0.00 30.24 29.64 2jtc n GLN 180 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2jtc n ASN 181 N -1.10 -0.86 -4.01 1.08 3.02 0.24 -4.94 115.26 108.69 2jtc n ASN 181 Ca 0.56 -1.02 -0.31 0.00 -0.03 0.00 0.00 54.58 53.79 2jtc n ASN 181 Cb 1.42 -3.05 -0.16 0.00 -0.61 0.00 0.00 39.78 37.38 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 -6.52 2.14 1.02 3.52 -0.21 0.88 -4.94 119.66 115.55 2jtc s GLN 182 Ca 0.06 -0.78 -0.12 0.00 0.02 0.00 0.00 55.36 54.54 2jtc s GLN 182 Cb -0.02 -2.35 0.20 0.00 1.00 0.00 0.00 33.01 31.84 2jtc s GLN 182 CO 0.89 -0.37 1.07 -1.25 -2.12 0.00 0.00 175.29 173.51 2jtc s PRO 183 N 1.41 0.20 -0.01 2.91 0.04 -1.26 -2.35 135.00 135.94 2jtc s PRO 183 Ca 0.00 0.90 0.06 0.00 0.04 0.00 0.00 61.00 62.01 2jtc s PRO 183 Cb -0.15 -1.68 -0.02 0.00 0.04 0.00 0.00 34.50 32.69 2jtc s PRO 183 CO -0.09 -2.99 -0.19 0.08 0.04 0.00 0.00 177.00 173.85 2jtc s VAL 184 N -2.70 1.49 -0.24 -0.36 1.01 0.48 -4.48 120.40 115.61 2jtc s VAL 184 Ca 0.66 -0.85 -0.24 0.00 0.00 0.00 0.00 61.98 61.55 2jtc s VAL 184 Cb -0.22 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 34.90 2jtc s VAL 184 CO 0.60 0.38 0.78 -0.47 0.00 0.00 0.00 175.10 176.40 2jtc s TYR 185 N -0.49 3.31 0.26 5.22 6.14 -0.27 -0.82 117.35 130.69 2jtc s TYR 185 Ca 0.07 1.07 0.09 0.00 0.64 0.00 0.00 57.07 58.94 2jtc s TYR 185 Cb -0.07 -3.00 -0.05 0.00 0.42 0.00 0.00 41.96 39.25 2jtc s TYR 185 CO -0.00 -0.38 -0.14 -0.47 0.64 0.00 0.00 175.55 175.20 2jtc s TYR 186 N 2.73 2.01 -0.29 4.97 6.14 0.88 0.76 117.35 134.55 2jtc s TYR 186 Ca 0.33 -0.51 -0.16 0.00 0.64 0.00 0.00 57.07 57.37 2jtc s TYR 186 Cb -0.15 -0.98 0.13 0.00 0.42 0.00 0.00 41.96 41.38 2jtc s TYR 186 CO 0.08 0.48 0.93 1.14 0.64 0.00 0.00 175.55 178.81 2jtc s GLN 187 N -3.61 0.44 -0.36 4.97 -2.07 -0.95 0.97 119.66 119.04 2jtc s GLN 187 Ca 0.27 0.76 -0.18 0.00 -1.82 0.00 0.00 55.36 54.39 2jtc s GLN 187 Cb -0.01 0.09 0.00 0.00 -1.09 0.00 0.00 33.01 32.00 2jtc s GLN 187 CO 0.11 -0.09 0.50 0.20 -1.32 0.00 0.00 175.29 174.70 2jtc s GLY 188 N 1.36 1.82 0.92 2.60 0.00 0.26 -3.03 107.32 111.26 2jtc s GLY 188 Ca -0.09 -1.10 -0.12 0.00 0.00 0.00 0.00 44.72 43.42 2jtc s GLY 188 CO -0.16 1.26 1.10 0.14 0.00 0.00 0.00 173.10 175.45 2jtc s VAL 189 N 2.37 2.37 0.00 1.40 1.01 0.41 -1.50 120.40 126.46 2jtc s VAL 189 Ca 0.18 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.28 2jtc s VAL 189 Cb -0.16 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.51 2jtc s VAL 189 CO 0.14 -0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.69 2jtc n GLY 190 N -1.53 1.61 0.13 4.51 0.00 -0.83 -4.02 105.19 105.06 2jtc n GLY 190 Ca 0.06 -0.01 -0.19 0.00 0.00 0.00 0.00 46.02 45.88 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 0.25 -0.01 1.61 3.11 -1.88 -3.34 116.57 116.32 2jtc h LYS 191 Ca 0.00 -0.43 0.00 0.00 -2.81 0.00 0.00 60.65 57.41 2jtc h LYS 191 Cb 0.00 0.16 0.00 0.00 -1.00 0.00 0.00 32.23 31.39 2jtc h LYS 191 CO 0.00 1.11 0.00 1.33 -2.81 0.00 0.00 179.45 179.08 2jtc n VAL 192 N -3.43 0.01 0.00 2.00 0.24 -1.26 -5.01 118.33 110.88 2jtc n VAL 192 Ca -0.25 -0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.03 2jtc n VAL 192 Cb 1.05 -0.34 0.00 0.00 -1.47 0.00 0.00 33.84 33.08 2jtc n VAL 192 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jtc n GLY 193 N 0.92 0.34 3.49 7.63 0.00 -1.25 -4.57 105.19 111.75 2jtc n GLY 193 Ca 0.19 -2.28 -0.43 0.00 0.00 0.00 0.00 46.02 43.50 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 1.58 -0.01 -0.02 0.00 -0.90 -1.97 107.32 106.00 2jtc s GLY 194 Ca 0.00 -1.43 -0.30 0.00 0.00 0.00 0.00 44.72 42.99 2jtc s GLY 194 CO 0.00 1.78 1.35 -1.58 0.00 0.00 0.00 173.10 174.66 2jtc s HIS 195 N 3.34 2.95 0.27 1.90 2.46 -0.56 -4.34 115.29 121.31 2jtc s HIS 195 Ca 0.24 0.92 0.10 0.00 0.47 0.00 0.00 55.06 56.78 2jtc s HIS 195 Cb -0.15 -3.61 -0.04 0.00 -0.13 0.00 0.00 32.58 28.65 2jtc s HIS 195 CO 0.16 -2.18 -0.03 0.00 -2.47 0.00 0.00 174.74 170.23 2jtc s ALA 196 N 2.30 3.12 0.25 1.58 0.00 -1.26 0.93 121.76 128.68 2jtc s ALA 196 Ca 0.62 -1.71 -0.18 0.00 0.00 0.00 0.00 51.96 50.69 2jtc s ALA 196 Cb -0.30 -0.68 0.02 0.00 0.00 0.00 0.00 23.12 22.16 2jtc s ALA 196 CO 0.26 0.25 0.61 -0.59 0.00 0.00 0.00 175.76 176.28 2jtc s PHE 197 N -2.37 -0.01 -0.08 0.00 -0.12 0.27 -3.68 117.98 111.99 2jtc s PHE 197 Ca 0.32 -0.39 0.02 0.00 -0.05 0.00 0.00 56.93 56.83 2jtc s PHE 197 Cb -0.06 0.49 -0.02 0.00 -0.63 0.00 0.00 43.02 42.80 2jtc s PHE 197 CO 0.19 -1.09 -0.14 0.08 -0.05 0.00 0.00 175.22 174.21 2jtc s VAL 198 N -3.94 3.05 -0.35 -2.49 1.01 -1.14 -0.08 120.40 116.46 2jtc s VAL 198 Ca 0.14 -0.71 -0.13 0.00 0.00 0.00 0.00 61.98 61.28 2jtc s VAL 198 Cb -0.03 -2.22 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 2jtc s VAL 198 CO 0.05 0.57 0.25 -0.63 0.00 0.00 0.00 175.10 175.34 2jtc s ILE 199 N -0.38 5.28 -0.23 2.22 1.01 0.00 0.51 121.20 129.61 2jtc s ILE 199 Ca 0.04 -0.26 0.16 0.00 0.00 0.00 0.00 60.65 60.59 2jtc s ILE 199 Cb -0.12 -3.73 0.47 0.00 0.01 0.00 0.00 42.46 39.09 2jtc s ILE 199 CO 0.02 -0.04 1.16 -0.90 0.00 0.00 0.00 174.94 175.18 2jtc n ASP 200 N 5.11 2.73 -3.60 3.58 5.68 0.24 -0.39 116.55 129.91 2jtc n ASP 200 Ca -0.12 -2.86 0.02 0.00 -0.50 0.00 0.00 54.79 51.33 2jtc n ASP 200 Cb 0.49 -0.41 -0.00 0.00 -1.14 0.00 0.00 41.12 40.06 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 -3.44 -0.44 -0.18 6.12 0.00 -1.22 0.28 107.32 108.43 2jtc s GLY 201 Ca 0.38 0.82 -0.15 0.00 0.00 0.00 0.00 44.72 45.77 2jtc s GLY 201 CO -0.03 0.15 0.47 0.00 0.00 0.00 0.00 173.10 173.70 2jtc s ALA 202 N -2.27 -1.19 -2.84 3.20 0.00 0.21 -0.61 121.76 118.24 2jtc s ALA 202 Ca 0.14 1.47 0.25 0.00 0.00 0.00 0.00 51.96 53.82 2jtc s ALA 202 Cb 0.06 -0.87 0.44 0.00 0.00 0.00 0.00 23.12 22.75 2jtc s ALA 202 CO -0.05 -0.25 1.40 -0.25 0.00 0.00 0.00 175.76 176.62 2jtc n ASP 203 N 3.32 2.58 0.00 0.00 9.92 0.26 0.59 116.55 133.22 2jtc n ASP 203 Ca -0.17 -1.86 0.00 0.00 -0.53 0.00 0.00 54.79 52.24 2jtc n ASP 203 Cb 0.56 -0.01 0.00 0.00 -0.64 0.00 0.00 41.12 41.04 2jtc n ASP 203 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2jtc n GLY 204 N 1.30 2.87 2.89 0.44 0.00 -1.26 -4.85 105.19 106.58 2jtc n GLY 204 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.61 3.05 -1.65 1.61 3.00 -1.26 -4.65 116.66 116.15 2jtc n ARG 205 Ca 0.00 -3.65 -0.20 0.00 -0.01 0.00 0.00 57.85 53.99 2jtc n ARG 205 Cb 0.00 -2.29 -0.08 0.00 0.00 0.00 0.00 32.46 30.09 2jtc n ARG 205 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2jtc n ASN 206 N -0.49 -5.44 -4.52 0.55 4.13 -1.26 -4.96 115.26 103.27 2jtc n ASN 206 Ca 0.53 0.46 -0.33 0.00 1.68 0.00 0.00 54.58 56.91 2jtc n ASN 206 Cb 0.24 -4.69 -0.12 0.00 -1.54 0.00 0.00 39.78 33.67 2jtc n ASN 206 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 2jtc s PHE 207 N -2.77 2.87 0.30 3.10 0.08 -1.26 -4.99 117.98 115.32 2jtc s PHE 207 Ca 0.00 -0.13 0.08 0.00 0.12 0.00 0.00 56.93 57.00 2jtc s PHE 207 Cb 0.00 -1.73 -0.06 0.00 -0.57 0.00 0.00 43.02 40.66 2jtc s PHE 207 CO 0.00 0.20 -0.09 0.71 -0.10 0.00 0.00 175.22 175.94 2jtc s TYR 208 N -0.55 2.16 -0.26 0.36 1.51 -1.26 0.91 117.35 120.23 2jtc s TYR 208 Ca 0.08 -0.58 -0.18 0.00 -1.01 0.00 0.00 57.07 55.38 2jtc s TYR 208 Cb -0.12 -1.21 -0.03 0.00 -0.11 0.00 0.00 41.96 40.50 2jtc s TYR 208 CO 0.02 0.45 0.51 -1.58 -1.11 0.00 0.00 175.55 173.83 2jtc s HIS 209 N -2.80 3.27 0.03 2.71 2.46 0.22 -0.50 115.29 120.69 2jtc s HIS 209 Ca 0.31 0.64 0.06 0.00 0.47 0.00 0.00 55.06 56.53 2jtc s HIS 209 Cb 0.02 -2.71 -0.03 0.00 -0.13 0.00 0.00 32.58 29.73 2jtc s HIS 209 CO 0.14 -0.27 -0.15 0.08 -2.47 0.00 0.00 174.74 172.07 2jtc s VAL 210 N 2.26 3.02 -0.86 0.89 1.01 0.17 0.80 120.40 127.69 2jtc s VAL 210 Ca 0.21 -1.09 -0.00 0.00 0.00 0.00 0.00 61.98 61.10 2jtc s VAL 210 Cb -0.16 -2.29 0.22 0.00 0.00 0.00 0.00 36.38 34.15 2jtc s VAL 210 CO 0.09 0.34 0.76 -3.20 0.00 0.00 0.00 175.10 173.10 2jtc n ASN 211 N 1.52 4.07 -4.20 3.32 2.85 0.18 -2.76 115.26 120.24 2jtc n ASN 211 Ca -0.16 -3.17 -0.35 0.00 -0.11 0.00 0.00 54.58 50.79 2jtc n ASN 211 Cb 0.52 -0.99 0.09 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 2.12 -2.43 0.39 1.20 5.03 -1.26 -2.91 117.44 119.58 2jtc n TRP 212 Ca 0.22 0.22 -0.01 0.00 3.03 0.00 0.00 57.50 60.96 2jtc n TRP 212 Cb 0.37 -1.56 0.10 0.00 -1.03 0.00 0.00 31.31 29.19 2jtc n TRP 212 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 2jtc n GLY 213 N 2.52 2.21 0.00 6.99 0.00 -1.24 -4.85 105.19 110.83 2jtc n GLY 213 Ca 0.01 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 0.13 -0.92 0.00 1.61 7.02 -1.26 -4.74 117.44 119.28 2jtc n TRP 214 Ca 0.12 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.60 2jtc n TRP 214 Cb 0.64 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.53 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 2.56 6.99 0.00 -1.26 -4.83 105.19 114.43 2jtc n GLY 215 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 2.85 4.13 0.00 -0.02 0.00 -1.26 -4.86 105.19 106.02 2jtc n GLY 216 Ca 0.00 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.87 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 -0.28 0.00 0.24 1.61 3.14 -1.26 -4.57 118.33 117.20 2jtc n VAL 217 Ca 0.26 0.00 0.04 0.00 -2.96 0.00 0.00 64.34 61.68 2jtc n VAL 217 Cb 0.72 -0.02 0.19 0.00 -1.06 0.00 0.00 33.84 33.66 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 3.04 -4.67 6.55 7.64 -1.26 -4.93 113.62 119.99 2jtc n SER 218 Ca 0.00 -2.36 -0.49 0.00 1.01 0.00 0.00 58.87 57.03 2jtc n SER 218 Cb 0.00 -0.52 -0.05 0.00 -1.01 0.00 0.00 64.21 62.64 2jtc n SER 218 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2jtc n ASP 219 N 0.37 2.89 0.00 6.43 2.03 -1.26 -4.47 116.55 122.54 2jtc n ASP 219 Ca 0.13 1.05 0.00 0.00 0.52 0.00 0.00 54.79 56.50 2jtc n ASP 219 Cb 0.63 -1.34 0.00 0.00 -0.72 0.00 0.00 41.12 39.69 2jtc n ASP 219 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jtc n GLY 220 N 3.69 -1.00 1.48 0.27 0.00 -1.11 -5.03 105.19 103.49 2jtc n GLY 220 Ca 0.20 0.40 -0.10 0.00 0.00 0.00 0.00 46.02 46.52 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 -3.64 -3.74 1.61 3.72 -1.26 0.45 117.46 114.61 2jtc n PHE 221 Ca 0.00 -0.55 -0.21 0.00 -0.05 0.00 0.00 57.45 56.64 2jtc n PHE 221 Cb 0.00 -0.34 -0.03 0.00 -0.94 0.00 0.00 39.48 38.17 2jtc n PHE 221 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 176.76 176.12 2jtc s PHE 222 N -1.62 2.88 0.40 1.38 -0.71 0.35 -3.76 117.98 116.90 2jtc s PHE 222 Ca 0.27 -0.33 -0.08 0.00 -1.04 0.00 0.00 56.93 55.75 2jtc s PHE 222 Cb -0.01 -1.88 -0.05 0.00 -1.21 0.00 0.00 43.02 39.86 2jtc s PHE 222 CO 0.19 0.11 0.72 1.03 -1.34 0.00 0.00 175.22 175.93 2jtc s ARG 223 N -4.03 3.69 -0.03 1.99 0.52 -1.26 -4.78 118.95 115.04 2jtc s ARG 223 Ca 0.43 0.30 0.05 0.00 -0.52 0.00 0.00 55.73 55.98 2jtc s ARG 223 Cb -0.06 -2.45 0.08 0.00 0.52 0.00 0.00 34.95 33.05 2jtc s ARG 223 CO 0.27 -0.02 1.03 1.47 0.02 0.00 0.00 175.30 178.07 2jtc n LEU 224 N -1.46 2.02 0.00 2.53 -0.00 -1.26 -4.89 117.00 113.94 2jtc n LEU 224 Ca 0.01 -2.22 0.00 0.00 -0.00 0.00 0.00 56.01 53.80 2jtc n LEU 224 Cb 0.54 -0.11 0.00 0.00 -0.00 0.00 0.00 43.42 43.85 2jtc n LEU 224 CO 0.49 0.54 0.00 -0.90 -0.00 0.00 0.00 177.39 177.52 2jtc n ASP 225 N -0.73 0.00 0.00 1.45 5.68 -1.26 -5.11 116.55 116.58 2jtc n ASP 225 Ca 0.04 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.33 2jtc n ASP 225 Cb 0.37 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.35 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 -1.29 0.61 -2.72 2.12 0.00 -1.26 -5.15 120.51 112.82 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 -4.70 0.00 -0.00 -1.26 -4.96 117.00 106.08 2jtc n LEU 227 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 56.01 55.78 2jtc n LEU 227 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.36 2jtc n LEU 227 CO 0.00 -0.00 -0.27 0.54 -0.00 0.00 0.00 177.39 177.65 2jtc s ASN 228 N 0.38 4.79 0.21 1.45 4.22 -1.26 -4.81 114.94 119.92 2jtc s ASN 228 Ca 0.00 -0.57 0.11 0.00 -2.14 0.00 0.00 52.86 50.26 2jtc s ASN 228 Cb 0.00 -0.96 0.02 0.00 1.28 0.00 0.00 41.25 41.59 2jtc s ASN 228 CO 0.00 -0.05 1.41 1.55 -2.04 0.00 0.00 177.10 177.97 2jtc h PRO 229 N 1.75 0.00 -0.12 3.55 0.13 -1.98 -3.25 132.00 132.08 2jtc h PRO 229 Ca -0.45 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.72 2jtc h PRO 229 Cb 1.25 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 2jtc h PRO 229 CO 0.61 0.74 0.58 0.66 -0.23 0.00 0.00 178.00 180.37 2jtc h SER 230 N 0.00 0.00 0.45 1.44 4.64 -1.95 -0.92 113.55 117.21 2jtc h SER 230 Ca -0.01 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.29 2jtc h SER 230 Cb 1.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.59 2jtc h SER 230 CO 0.10 0.00 -0.22 0.00 -0.87 0.00 0.00 176.83 175.84 2jtc h ALA 231 N 0.95 -0.61 -3.00 5.18 0.00 -2.00 -3.46 119.26 116.33 2jtc h ALA 231 Ca 0.06 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2jtc h ALA 231 Cb 1.23 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.25 2jtc h ALA 231 CO -0.00 -0.62 0.00 1.28 0.00 0.00 0.00 179.25 179.91 2jtc n LEU 232 N -5.20 0.00 0.00 0.00 4.32 -0.35 -4.70 117.00 111.07 2jtc n LEU 232 Ca -0.09 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.90 2jtc n LEU 232 Cb 0.28 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.08 2jtc n LEU 232 CO 0.25 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.03 2jtc n GLY 233 N 5.00 0.70 0.35 -0.72 0.00 -1.26 -4.31 105.19 104.95 2jtc n GLY 233 Ca 0.00 -1.43 0.04 0.00 0.00 0.00 0.00 46.02 44.63 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 0.00 0.24 -2.53 2.61 -1.04 -1.26 -4.86 114.28 107.44 2jtc n THR 234 Ca 0.00 -0.25 -0.28 0.00 -2.04 0.00 0.00 64.05 61.48 2jtc n THR 234 Cb 0.00 0.12 -0.00 0.00 -1.82 0.00 0.00 70.33 68.63 2jtc n THR 234 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2jtc s GLY 235 N -1.05 1.54 -0.88 3.41 0.00 -1.26 -5.01 107.32 104.06 2jtc s GLY 235 Ca 0.15 -0.43 -0.14 0.00 0.00 0.00 0.00 44.72 44.30 2jtc s GLY 235 CO 0.10 -0.25 0.85 -0.32 0.00 0.00 0.00 173.10 173.49 2jtc s GLY 236 N -4.07 2.70 0.26 0.20 0.00 -1.26 -4.99 107.32 100.16 2jtc s GLY 236 Ca 0.49 -3.37 0.02 0.00 0.00 0.00 0.00 44.72 41.86 2jtc s GLY 236 CO 0.46 1.33 0.08 -0.32 0.00 0.00 0.00 173.10 174.65 2jtc s GLY 237 N 2.14 1.74 -0.02 0.20 0.00 -1.26 -5.06 107.32 105.05 2jtc s GLY 237 Ca 0.21 -1.87 0.04 0.00 0.00 0.00 0.00 44.72 43.10 2jtc s GLY 237 CO -0.09 -1.62 0.91 0.00 0.00 0.00 0.00 173.10 172.30 2jtc n ALA 238 N -0.48 1.82 -3.02 3.20 0.00 -1.26 -5.05 120.51 115.73 2jtc n ALA 238 Ca -0.01 -1.19 -0.29 0.00 0.00 0.00 0.00 53.44 51.95 2jtc n ALA 238 Cb 0.66 -0.32 -0.16 0.00 0.00 0.00 0.00 19.45 19.62 2jtc n ALA 238 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2jtc s GLY 239 N -1.13 1.09 -0.07 0.00 0.00 -1.26 -4.88 107.32 101.07 2jtc s GLY 239 Ca 0.06 -0.80 0.09 0.00 0.00 0.00 0.00 44.72 44.06 2jtc s GLY 239 CO 0.01 -0.35 1.13 0.61 0.00 0.00 0.00 173.10 174.50 2jtc n GLY 240 N 3.28 0.94 3.69 0.20 0.00 -1.26 -4.79 105.19 107.25 2jtc n GLY 240 Ca -0.19 -0.26 -0.27 0.00 0.00 0.00 0.00 46.02 45.30 2jtc n GLY 240 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2jtc s PHE 241 N -0.20 2.46 -0.92 1.61 -0.12 -1.26 -5.03 117.98 114.51 2jtc s PHE 241 Ca 0.10 -0.67 -0.02 0.00 -0.05 0.00 0.00 56.93 56.29 2jtc s PHE 241 Cb 0.17 -1.84 0.23 0.00 -0.63 0.00 0.00 43.02 40.96 2jtc s PHE 241 CO -0.06 0.29 0.84 -1.71 -0.05 0.00 0.00 175.22 174.54 2jtc n ASN 242 N -1.13 4.40 -0.04 1.98 4.05 -1.26 -4.35 115.26 118.91 2jtc n ASN 242 Ca -0.05 -3.14 -0.15 0.00 0.45 0.00 0.00 54.58 51.69 2jtc n ASN 242 Cb 0.66 -1.08 -0.12 0.00 1.23 0.00 0.00 39.78 40.47 2jtc n ASN 242 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 177.26 175.44 2jtc h GLY 243 N 5.96 0.09 -3.03 8.20 0.00 -1.91 -3.47 103.07 108.90 2jtc h GLY 243 Ca 0.17 -0.19 -0.23 0.00 0.00 0.00 0.00 47.33 47.08 2jtc h GLY 243 CO 0.89 0.17 -0.70 -0.19 0.00 0.00 0.00 176.54 176.71 2jtc s TYR 244 N -2.68 0.91 -0.13 5.60 2.02 -1.26 -5.04 117.35 116.77 2jtc s TYR 244 Ca -0.17 -0.90 -0.21 0.00 -0.37 0.00 0.00 57.07 55.42 2jtc s TYR 244 Cb -0.01 -0.52 0.05 0.00 -0.40 0.00 0.00 41.96 41.08 2jtc s TYR 244 CO 0.72 -0.13 0.54 -0.65 -1.57 0.00 0.00 175.55 174.46 2jtc s GLN 245 N -3.80 0.76 0.14 -0.62 -0.21 -1.26 -0.45 119.66 114.22 2jtc s GLN 245 Ca 0.12 0.46 -0.24 0.00 0.02 0.00 0.00 55.36 55.72 2jtc s GLN 245 Cb 0.05 0.36 0.07 0.00 1.00 0.00 0.00 33.01 34.49 2jtc s GLN 245 CO -0.04 -0.16 0.69 -1.54 -2.12 0.00 0.00 175.29 172.11 2jtc s SER 246 N -0.38 -0.47 0.00 5.90 1.04 -1.17 -1.34 113.70 117.27 2jtc s SER 246 Ca -0.05 -0.09 -0.01 0.00 0.48 0.00 0.00 55.95 56.27 2jtc s SER 246 Cb -0.03 0.57 -0.01 0.00 0.10 0.00 0.00 66.02 66.65 2jtc s SER 246 CO 0.04 -0.95 0.01 0.00 0.98 0.00 0.00 173.24 173.32 2jtc s ALA 247 N -3.63 -0.00 -0.30 5.32 0.00 0.17 -2.25 121.76 121.08 2jtc s ALA 247 Ca 0.04 -0.22 -0.09 0.00 0.00 0.00 0.00 51.96 51.69 2jtc s ALA 247 Cb -0.02 0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.14 2jtc s ALA 247 CO -0.09 -0.09 0.13 0.08 0.00 0.00 0.00 175.76 175.79 2jtc s VAL 248 N -0.69 4.46 -0.04 0.00 1.01 0.23 0.68 120.40 126.05 2jtc s VAL 248 Ca -0.08 -0.40 0.05 0.00 0.00 0.00 0.00 61.98 61.56 2jtc s VAL 248 Cb -0.05 -3.24 -0.02 0.00 0.00 0.00 0.00 36.38 33.07 2jtc s VAL 248 CO -0.00 0.13 -0.20 0.68 0.00 0.00 0.00 175.10 175.70 2jtc s VAL 249 N 1.60 2.56 0.00 2.92 -7.23 -0.60 -1.12 120.40 118.53 2jtc s VAL 249 Ca 0.05 -0.91 0.00 0.00 -1.81 0.00 0.00 61.98 59.31 2jtc s VAL 249 Cb -0.17 -1.96 0.00 0.00 0.56 0.00 0.00 36.38 34.82 2jtc s VAL 249 CO 0.05 0.58 0.00 0.61 -0.31 0.00 0.00 175.10 176.03 2jtc n GLY 250 N 2.47 0.62 3.38 2.32 0.00 -1.26 -2.99 105.19 109.73 2jtc n GLY 250 Ca -0.17 -0.25 -0.45 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.08 4.86 -0.10 -0.61 1.01 -1.26 -2.47 121.20 120.54 2jtc s ILE 251 Ca 0.00 -1.16 -0.30 0.00 0.00 0.00 0.00 60.65 59.19 2jtc s ILE 251 Cb 0.00 -4.52 0.09 0.00 0.01 0.00 0.00 42.46 38.04 2jtc s ILE 251 CO 0.00 -1.17 0.80 -1.59 0.00 0.00 0.00 174.94 172.98 2jtc s LYS 252 N 2.52 0.88 0.00 2.79 -2.85 -1.26 -4.92 119.74 116.90 2jtc s LYS 252 Ca 0.14 0.26 0.27 0.00 -1.00 0.00 0.00 55.97 55.64 2jtc s LYS 252 Cb -0.21 0.42 1.62 0.00 -2.06 0.00 0.00 37.83 37.59 2jtc s LYS 252 CO 0.04 -0.27 1.96 -0.35 0.10 0.00 0.00 175.35 176.83