#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1j n HIS 2 N 0.00 0.00 0.16 6.34 1.44 -1.26 -0.77 115.22 121.13 3h1j n HIS 2 Ca 0.00 0.00 0.06 0.00 -2.01 0.00 0.00 57.72 55.77 3h1j n HIS 2 Cb 0.00 -0.25 0.07 0.00 0.12 0.00 0.00 29.99 29.93 3h1j n HIS 2 CO 0.00 0.00 0.00 -0.91 -2.81 0.00 0.00 176.34 172.62 3h1j h ASN 3 N 0.00 0.00 -0.22 4.39 2.35 -2.11 -3.15 115.58 116.84 3h1j h ASN 3 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3h1j h ASN 3 Cb 0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.45 3h1j h ASN 3 CO 0.00 0.29 0.00 0.47 -1.65 0.00 0.00 177.43 176.54 3h1j n ASP 4 N -3.13 1.37 -4.66 5.81 10.43 0.05 -4.82 116.55 121.59 3h1j n ASP 4 Ca 0.02 -2.04 -0.35 0.00 2.57 0.00 0.00 54.79 54.99 3h1j n ASP 4 Cb 0.65 -0.21 -0.09 0.00 1.84 0.00 0.00 41.12 43.31 3h1j n ASP 4 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3h1j s VAL 5 N -1.68 5.03 0.04 2.53 1.01 -1.19 -5.03 120.40 121.12 3h1j s VAL 5 Ca 0.15 0.06 0.06 0.00 0.00 0.00 0.00 61.98 62.25 3h1j s VAL 5 Cb 0.08 -3.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.15 3h1j s VAL 5 CO 0.09 0.44 -0.17 -0.89 0.00 0.00 0.00 175.10 174.57 3h1j s THR 6 N 0.47 1.39 0.23 3.92 2.01 -1.26 -5.09 115.64 117.30 3h1j s THR 6 Ca 0.05 -1.12 -0.30 0.00 0.31 0.00 0.00 61.69 60.64 3h1j s THR 6 Cb -0.12 -1.23 -0.09 0.00 0.01 0.00 0.00 72.50 71.07 3h1j s THR 6 CO -0.00 0.09 1.05 -0.69 -0.69 0.00 0.00 174.62 174.38 3h1j s VAL 7 N -0.84 3.83 1.33 3.82 1.01 -1.26 -5.00 120.40 123.29 3h1j s VAL 7 Ca 0.04 1.73 -0.22 0.00 0.00 0.00 0.00 61.98 63.54 3h1j s VAL 7 Cb -0.08 -4.10 0.34 0.00 0.00 0.00 0.00 36.38 32.53 3h1j s VAL 7 CO 0.02 0.37 0.99 -2.65 0.00 0.00 0.00 175.10 173.82 3h1j n PRO 8 N 1.75 -3.92 -3.22 2.72 -0.02 -1.26 -4.99 135.00 126.05 3h1j n PRO 8 Ca 0.00 -1.61 -0.39 0.00 -2.02 0.00 0.00 63.50 59.48 3h1j n PRO 8 Cb 0.46 -1.74 -0.06 0.00 -0.02 0.00 0.00 33.50 32.14 3h1j n PRO 8 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3h1j s ASP 9 N -3.85 6.86 -0.33 2.55 -1.08 -1.26 -4.99 116.67 114.57 3h1j s ASP 9 Ca 0.69 1.03 0.06 0.00 -0.52 0.00 0.00 52.55 53.80 3h1j s ASP 9 Cb -0.09 -2.34 0.46 0.00 -1.46 0.00 0.00 42.92 39.49 3h1j s ASP 9 CO 0.55 0.02 1.29 0.49 0.52 0.00 0.00 175.17 178.04 3h1j n PHE 10 N 3.31 2.77 0.09 -5.34 3.01 -1.26 -4.74 117.46 115.30 3h1j n PHE 10 Ca -0.06 -2.31 -0.08 0.00 1.01 0.00 0.00 57.45 56.02 3h1j n PHE 10 Cb 0.51 -0.47 -0.03 0.00 -0.01 0.00 0.00 39.48 39.48 3h1j n PHE 10 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 3h1j h SER 11 N 2.14 0.17 0.30 4.37 0.02 -1.94 0.28 113.55 118.89 3h1j h SER 11 Ca 0.39 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 3h1j h SER 11 Cb 1.45 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.94 3h1j h SER 11 CO 0.85 0.99 0.00 0.00 -1.14 0.00 0.00 176.83 177.53 3h1j h ALA 12 N 0.99 1.00 0.00 3.77 0.00 -2.03 -3.17 119.26 119.83 3h1j h ALA 12 Ca -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3h1j h ALA 12 Cb 1.57 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.36 3h1j h ALA 12 CO 0.13 0.00 -1.07 0.66 0.00 0.00 0.00 179.25 178.98 3h1j n TYR 13 N -2.59 0.00 -1.57 0.00 4.01 -1.10 -5.07 117.16 110.83 3h1j n TYR 13 Ca -0.01 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.34 3h1j n TYR 13 Cb 0.12 -0.04 0.03 0.00 -0.31 0.00 0.00 39.34 39.14 3h1j n TYR 13 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3h1j n ARG 14 N -1.86 0.96 -2.50 -0.72 1.74 0.96 -4.93 116.66 110.31 3h1j n ARG 14 Ca -0.01 0.36 -0.41 0.00 -0.77 0.00 0.00 57.85 57.02 3h1j n ARG 14 Cb 0.35 -1.99 -0.04 0.00 -1.02 0.00 0.00 32.46 29.77 3h1j n ARG 14 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3h1j s ARG 15 N -2.29 4.55 0.34 5.56 0.52 -1.26 -4.89 118.95 121.49 3h1j s ARG 15 Ca 0.69 1.72 0.24 0.00 -0.52 0.00 0.00 55.73 57.85 3h1j s ARG 15 Cb -0.48 -3.30 1.18 0.00 0.52 0.00 0.00 34.95 32.87 3h1j s ARG 15 CO 0.53 -0.01 1.28 -1.91 0.02 0.00 0.00 175.30 175.20 3h1j n GLU 16 N 2.82 -0.04 0.00 3.54 2.13 -1.26 0.43 120.64 128.26 3h1j n GLU 16 Ca 0.04 1.05 0.15 0.00 0.66 0.00 0.00 57.16 59.06 3h1j n GLU 16 Cb 0.46 -2.02 0.86 0.00 0.27 0.00 0.00 31.44 31.01 3h1j n GLU 16 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3h1j n ASP 17 N -4.48 0.00 -1.17 4.31 8.00 -1.26 -3.31 116.55 118.64 3h1j n ASP 17 Ca 0.32 -0.82 0.04 0.00 0.71 0.00 0.00 54.79 55.04 3h1j n ASP 17 Cb 1.21 -0.04 0.07 0.00 -0.02 0.00 0.00 41.12 42.34 3h1j n ASP 17 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3h1j n VAL 18 N -1.04 0.56 0.09 2.53 0.24 0.17 -4.82 118.33 116.06 3h1j n VAL 18 Ca 0.21 -1.47 -0.16 0.00 -2.04 0.00 0.00 64.34 60.88 3h1j n VAL 18 Cb 0.12 0.64 -0.14 0.00 -1.47 0.00 0.00 33.84 32.99 3h1j n VAL 18 CO 0.00 0.00 0.00 -0.03 -2.14 0.00 0.00 176.83 174.66 3h1j h MET 19 N 0.89 0.25 -6.62 7.34 -1.53 -1.53 -3.44 114.93 110.29 3h1j h MET 19 Ca -0.15 -0.43 -0.56 0.00 -3.44 0.00 0.00 59.70 55.11 3h1j h MET 19 Cb 1.63 0.16 -0.08 0.00 -0.55 0.00 0.00 31.60 32.77 3h1j h MET 19 CO 0.07 1.17 0.89 0.34 0.14 0.00 0.00 176.91 179.52 3h1j s ASP 20 N -7.06 6.58 0.00 1.39 2.15 -1.26 -4.90 116.67 113.56 3h1j s ASP 20 Ca -0.05 0.34 0.02 0.00 0.43 0.00 0.00 52.55 53.29 3h1j s ASP 20 Cb 0.07 -2.54 0.13 0.00 -0.30 0.00 0.00 42.92 40.28 3h1j s ASP 20 CO 0.87 -1.28 0.61 0.00 -0.17 0.00 0.00 175.17 175.20 3h1j n ALA 21 N 7.89 1.58 -0.76 3.66 0.00 -1.26 -1.85 120.51 129.76 3h1j n ALA 21 Ca 0.11 -0.01 0.07 0.00 0.00 0.00 0.00 53.44 53.60 3h1j n ALA 21 Cb 0.49 -1.03 0.10 0.00 0.00 0.00 0.00 19.45 19.01 3h1j n ALA 21 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3h1j n THR 22 N -0.99 1.64 -5.08 0.00 -2.24 -1.26 -4.99 114.28 101.36 3h1j n THR 22 Ca 0.02 -1.89 -0.30 0.00 -2.27 0.00 0.00 64.05 59.60 3h1j n THR 22 Cb 0.01 -0.03 -0.17 0.00 -2.10 0.00 0.00 70.33 68.04 3h1j n THR 22 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3h1j s THR 23 N -2.34 1.84 -0.24 4.28 2.01 -0.77 -5.07 115.64 115.35 3h1j s THR 23 Ca 0.23 -0.90 -0.34 0.00 0.31 0.00 0.00 61.69 60.99 3h1j s THR 23 Cb 0.20 -1.60 -0.11 0.00 0.01 0.00 0.00 72.50 71.01 3h1j s THR 23 CO 0.02 0.51 2.07 -0.24 -0.69 0.00 0.00 174.62 176.30 3h1j n SER 24 N 3.47 2.78 0.29 3.53 2.88 -1.26 -4.76 113.62 120.55 3h1j n SER 24 Ca -0.19 0.59 0.15 0.00 -1.33 0.00 0.00 58.87 58.08 3h1j n SER 24 Cb 0.53 -1.35 0.88 0.00 -0.75 0.00 0.00 64.21 63.52 3h1j n SER 24 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 3h1j h SER 25 N 11.59 0.00 -0.91 -3.46 4.64 -1.92 -3.01 113.55 120.48 3h1j h SER 25 Ca -0.38 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.08 3h1j h SER 25 Cb 1.29 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.29 3h1j h SER 25 CO 0.98 0.04 0.52 1.56 -0.87 0.00 0.00 176.83 179.06 3h1j h GLN 26 N 0.00 0.74 -0.54 4.77 1.08 -1.96 -2.49 115.11 116.70 3h1j h GLN 26 Ca -0.00 -0.04 0.06 0.00 -1.45 0.00 0.00 58.65 57.21 3h1j h GLN 26 Cb 0.12 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 27.35 3h1j h GLN 26 CO 0.01 0.49 0.36 1.79 -0.95 0.00 0.00 178.83 180.53 3h1j h THR 27 N 0.76 0.99 -0.00 -0.54 1.35 -1.92 -1.11 112.91 112.43 3h1j h THR 27 Ca 0.49 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 66.17 3h1j h THR 27 Cb 0.63 0.44 0.00 0.00 -1.73 0.00 0.00 68.15 67.48 3h1j h THR 27 CO -0.33 0.09 -0.43 -1.54 -0.25 0.00 0.00 175.52 173.06 3h1j n SER 28 N -4.47 0.67 0.03 5.36 3.41 -0.96 -4.39 113.62 113.27 3h1j n SER 28 Ca 0.07 -0.46 -0.11 0.00 -0.26 0.00 0.00 58.87 58.11 3h1j n SER 28 Cb 0.23 0.23 -0.04 0.00 -0.26 0.00 0.00 64.21 64.37 3h1j n SER 28 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3h1j h SER 29 N 0.38 -0.69 -0.54 4.04 4.64 -0.95 -1.15 113.55 119.27 3h1j h SER 29 Ca 0.00 0.10 0.16 0.00 -0.47 0.00 0.00 61.79 61.58 3h1j h SER 29 Cb 0.50 0.29 -0.02 0.00 -0.31 0.00 0.00 62.40 62.87 3h1j h SER 29 CO 0.00 -0.29 0.45 -0.33 -0.87 0.00 0.00 176.83 175.79 3h1j h GLU 30 N -0.33 0.00 0.01 4.77 5.08 -1.77 0.12 114.58 122.47 3h1j h GLU 30 Ca 0.08 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.35 3h1j h GLU 30 Cb 0.44 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 3h1j h GLU 30 CO -0.24 0.00 -0.48 -0.44 -1.00 0.00 0.00 179.01 176.85 3h1j h ASP 31 N 0.00 0.05 -0.57 1.42 3.32 -1.69 0.18 116.42 119.13 3h1j h ASP 31 Ca 0.26 -0.85 0.09 0.00 0.02 0.00 0.00 57.03 56.55 3h1j h ASP 31 Cb 1.14 -0.02 -0.07 0.00 0.22 0.00 0.00 39.33 40.61 3h1j h ASP 31 CO -0.00 1.19 0.19 0.03 -1.72 0.00 0.00 179.24 178.93 3h1j h ARG 32 N -0.92 0.34 -0.07 3.56 3.08 -0.37 0.74 114.38 120.74 3h1j h ARG 32 Ca -0.12 -0.02 -0.22 0.00 0.07 0.00 0.00 59.98 59.68 3h1j h ARG 32 Cb 1.17 -0.08 0.01 0.00 0.08 0.00 0.00 29.97 31.15 3h1j h ARG 32 CO -0.05 0.23 -0.83 0.87 -1.07 0.00 0.00 179.97 179.12 3h1j h LYS 33 N 0.35 0.69 -0.87 0.04 1.57 -0.91 -3.00 116.57 114.43 3h1j h LYS 33 Ca 0.29 -0.65 0.05 0.00 -1.87 0.00 0.00 60.65 58.47 3h1j h LYS 33 Cb 0.37 0.16 -0.06 0.00 0.08 0.00 0.00 32.23 32.78 3h1j h LYS 33 CO -0.31 1.25 0.55 0.78 -0.57 0.00 0.00 179.45 181.15 3h1j h GLY 34 N 0.37 1.30 0.72 3.86 0.00 0.51 -1.26 103.07 108.57 3h1j h GLY 34 Ca -0.08 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 3h1j h GLY 34 CO 0.17 0.31 -0.12 -2.75 0.00 0.00 0.00 176.54 174.15 3h1j h PHE 35 N 1.04 -0.31 -0.63 5.60 3.57 0.43 -1.99 116.94 124.64 3h1j h PHE 35 Ca 0.37 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.88 3h1j h PHE 35 Cb 0.10 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.91 3h1j h PHE 35 CO -0.02 -0.01 0.40 0.77 -2.23 0.00 0.00 178.31 177.22 3h1j h SER 36 N -0.61 0.68 0.41 0.41 0.02 -1.42 -1.22 113.55 111.81 3h1j h SER 36 Ca -0.03 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.87 3h1j h SER 36 Cb 0.44 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 3h1j h SER 36 CO 0.06 0.48 -0.19 1.88 -1.14 0.00 0.00 176.83 177.92 3h1j h TYR 37 N 0.81 0.00 -0.13 3.45 0.99 -1.26 -2.48 116.97 118.35 3h1j h TYR 37 Ca 0.24 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.95 3h1j h TYR 37 Cb -0.03 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 37.70 3h1j h TYR 37 CO -0.04 0.19 -0.01 1.25 -0.00 0.00 0.00 178.16 179.54 3h1j h LEU 38 N 0.00 0.23 -0.25 3.88 5.85 -0.44 0.15 115.31 124.73 3h1j h LEU 38 Ca -0.00 -0.34 0.06 0.00 0.84 0.00 0.00 57.88 58.44 3h1j h LEU 38 Cb 0.44 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.34 3h1j h LEU 38 CO 0.02 0.51 -0.27 0.58 -0.34 0.00 0.00 178.44 178.95 3h1j h VAL 39 N -0.06 0.35 -0.18 1.05 2.07 -0.99 0.23 116.25 118.71 3h1j h VAL 39 Ca 0.03 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.60 3h1j h VAL 39 Cb 0.40 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 30.47 3h1j h VAL 39 CO 0.01 0.00 -0.11 0.74 0.02 0.00 0.00 177.57 178.23 3h1j h THR 40 N -0.27 0.66 -0.81 2.57 2.02 -1.34 0.14 112.91 115.88 3h1j h THR 40 Ca 0.14 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.39 3h1j h THR 40 Cb 0.49 0.66 -0.06 0.00 -1.74 0.00 0.00 68.15 67.50 3h1j h THR 40 CO -0.41 0.00 0.48 0.00 0.37 0.00 0.00 175.52 175.97 3h1j h ALA 41 N 1.03 1.13 -0.14 6.16 0.00 0.13 0.60 119.26 128.17 3h1j h ALA 41 Ca 0.10 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3h1j h ALA 41 Cb 0.26 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3h1j h ALA 41 CO -0.25 0.17 0.03 1.15 0.00 0.00 0.00 179.25 180.35 3h1j h THR 42 N 0.86 1.21 -0.66 0.00 2.02 0.11 -0.87 112.91 115.58 3h1j h THR 42 Ca 0.37 -0.67 0.12 0.00 0.77 0.00 0.00 66.41 66.99 3h1j h THR 42 Cb 0.24 1.39 -0.08 0.00 -1.74 0.00 0.00 68.15 67.96 3h1j h THR 42 CO -0.20 0.20 0.22 0.00 0.37 0.00 0.00 175.52 176.11 3h1j h ALA 43 N 0.82 0.86 -0.62 6.16 0.00 0.04 0.54 119.26 127.05 3h1j h ALA 43 Ca 0.04 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3h1j h ALA 43 Cb 0.28 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 3h1j h ALA 43 CO 0.00 -0.23 0.39 0.00 0.00 0.00 0.00 179.25 179.41 3h1j h VAL 45 N 0.78 0.89 0.40 0.00 2.07 0.45 0.40 116.25 121.24 3h1j h VAL 45 Ca 0.24 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.70 3h1j h VAL 45 Cb -0.02 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 3h1j h VAL 45 CO -0.08 0.03 -0.30 0.00 0.02 0.00 0.00 177.57 177.24 3h1j h ALA 46 N 1.18 -0.69 -0.68 1.67 0.00 -0.57 0.55 119.26 120.72 3h1j h ALA 46 Ca 0.11 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.98 3h1j h ALA 46 Cb 0.11 0.39 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 3h1j h ALA 46 CO -0.15 -0.91 0.35 1.15 0.00 0.00 0.00 179.25 179.69 3h1j h THR 47 N -0.69 0.90 -0.55 0.00 2.02 -0.87 0.16 112.91 113.89 3h1j h THR 47 Ca -0.04 -0.21 0.08 0.00 0.77 0.00 0.00 66.41 67.02 3h1j h THR 47 Cb 0.59 0.22 -0.07 0.00 -1.74 0.00 0.00 68.15 67.15 3h1j h THR 47 CO 0.00 0.11 0.17 0.00 0.37 0.00 0.00 175.52 176.18 3h1j h ALA 48 N 1.39 0.67 0.39 6.16 0.00 0.29 0.47 119.26 128.62 3h1j h ALA 48 Ca 0.32 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.30 3h1j h ALA 48 Cb 0.28 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3h1j h ALA 48 CO -0.23 -0.24 -0.19 -0.92 0.00 0.00 0.00 179.25 177.68 3h1j h TYR 49 N 0.34 -0.49 -0.44 0.00 3.20 0.14 -0.40 116.97 119.32 3h1j h TYR 49 Ca 0.27 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.20 3h1j h TYR 49 Cb 0.34 0.16 -0.06 0.00 1.54 0.00 0.00 36.73 38.71 3h1j h TYR 49 CO -0.19 -0.26 0.10 0.00 -1.64 0.00 0.00 178.16 176.17 3h1j h ALA 50 N 0.00 0.49 0.19 1.82 0.00 -0.24 -2.11 119.26 119.42 3h1j h ALA 50 Ca -0.05 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3h1j h ALA 50 Cb 0.44 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3h1j h ALA 50 CO 0.09 -0.30 -0.16 0.00 0.00 0.00 0.00 179.25 178.88 3h1j h ALA 51 N 1.33 -0.34 -0.80 0.00 0.00 0.06 -0.53 119.26 118.98 3h1j h ALA 51 Ca 0.22 -0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.19 3h1j h ALA 51 Cb 0.26 0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.18 3h1j h ALA 51 CO -0.27 -0.71 0.42 -0.22 0.00 0.00 0.00 179.25 178.47 3h1j h LYS 52 N -0.36 0.65 -0.21 0.00 3.11 -0.78 0.85 116.57 119.83 3h1j h LYS 52 Ca -0.01 -0.04 -0.07 0.00 -2.81 0.00 0.00 60.65 57.72 3h1j h LYS 52 Cb 0.33 -0.15 -0.00 0.00 -1.00 0.00 0.00 32.23 31.41 3h1j h LYS 52 CO -0.02 0.43 -0.16 -0.91 -2.81 0.00 0.00 179.45 175.98 3h1j h ASN 53 N 0.67 0.50 -0.77 4.20 2.35 -1.12 -0.41 115.58 121.00 3h1j h ASN 53 Ca 0.41 -0.45 -0.05 0.00 -0.55 0.00 0.00 56.30 55.66 3h1j h ASN 53 Cb 0.49 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.68 3h1j h ASN 53 CO -0.30 0.85 0.29 0.58 -1.65 0.00 0.00 177.43 177.19 3h1j h VAL 54 N 0.17 1.26 -0.20 2.81 2.07 -0.40 -0.78 116.25 121.18 3h1j h VAL 54 Ca 0.04 -0.83 -0.02 0.00 0.82 0.00 0.00 66.70 66.71 3h1j h VAL 54 Cb 0.69 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 3h1j h VAL 54 CO 0.04 0.34 0.06 0.58 0.02 0.00 0.00 177.57 178.61 3h1j h VAL 55 N 1.12 1.19 -0.21 2.57 2.07 -0.83 -0.99 116.25 121.16 3h1j h VAL 55 Ca 0.25 -0.61 0.04 0.00 0.82 0.00 0.00 66.70 67.20 3h1j h VAL 55 Cb 0.24 1.22 -0.07 0.00 -1.52 0.00 0.00 31.29 31.16 3h1j h VAL 55 CO -0.02 0.19 -0.49 0.74 0.02 0.00 0.00 177.57 178.01 3h1j h THR 56 N 0.14 0.06 0.38 2.57 2.02 -0.74 0.63 112.91 117.97 3h1j h THR 56 Ca 0.06 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.24 3h1j h THR 56 Cb 0.24 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.69 3h1j h THR 56 CO -0.00 0.00 -0.34 1.56 0.37 0.00 0.00 175.52 177.10 3h1j h GLN 57 N -0.50 -0.71 -0.53 6.66 4.20 -1.06 -0.70 115.11 122.47 3h1j h GLN 57 Ca 0.07 0.05 0.04 0.00 0.06 0.00 0.00 58.65 58.86 3h1j h GLN 57 Cb 0.64 0.16 -0.04 0.00 0.30 0.00 0.00 27.48 28.54 3h1j h GLN 57 CO -0.47 -0.47 0.29 0.74 -0.67 0.00 0.00 178.83 178.25 3h1j h PHE 58 N -0.74 0.54 -0.88 2.96 0.05 -0.91 -1.72 116.94 116.25 3h1j h PHE 58 Ca -0.03 0.02 0.08 0.00 3.82 0.00 0.00 57.97 61.87 3h1j h PHE 58 Cb 0.65 -0.16 -0.07 0.00 2.00 0.00 0.00 35.95 38.37 3h1j h PHE 58 CO -0.18 0.28 0.53 0.97 -0.18 0.00 0.00 178.31 179.73 3h1j h ILE 59 N 0.57 0.97 0.00 -0.55 6.09 0.54 -1.05 117.51 124.07 3h1j h ILE 59 Ca 0.23 -0.31 0.00 0.00 -1.37 0.00 0.00 64.86 63.40 3h1j h ILE 59 Cb 0.10 -0.02 0.00 0.00 0.47 0.00 0.00 36.82 37.36 3h1j h ILE 59 CO -0.14 0.17 0.00 -1.54 -3.07 0.00 0.00 178.15 173.57 3h1j n SER 60 N -4.66 0.00 0.00 2.19 3.41 -0.29 -2.50 113.62 111.76 3h1j n SER 60 Ca 0.14 -0.23 0.11 0.00 -0.26 0.00 0.00 58.87 58.64 3h1j n SER 60 Cb 0.25 -0.24 0.52 0.00 -0.26 0.00 0.00 64.21 64.48 3h1j n SER 60 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3h1j n SER 61 N -1.24 0.00 -0.02 4.04 3.41 -0.40 -2.79 113.62 116.62 3h1j n SER 61 Ca 0.14 0.37 -0.14 0.00 -0.26 0.00 0.00 58.87 58.98 3h1j n SER 61 Cb 0.19 -0.45 -0.14 0.00 -0.26 0.00 0.00 64.21 63.55 3h1j n SER 61 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3h1j n LEU 62 N -1.45 1.67 -4.45 1.04 4.77 -1.04 -4.96 117.00 112.57 3h1j n LEU 62 Ca 0.07 0.27 -0.28 0.00 -0.03 0.00 0.00 56.01 56.04 3h1j n LEU 62 Cb 0.25 -0.40 0.26 0.00 -2.33 0.00 0.00 43.42 41.20 3h1j n LEU 62 CO 0.21 0.62 0.44 -1.20 -1.33 0.00 0.00 177.39 176.13 3h1j n SER 63 N -3.22 -1.91 -4.65 -1.43 7.64 -1.12 -4.89 113.62 104.04 3h1j n SER 63 Ca -0.26 -0.20 -0.44 0.00 1.01 0.00 0.00 58.87 58.98 3h1j n SER 63 Cb 1.05 -1.23 -0.01 0.00 -1.01 0.00 0.00 64.21 63.01 3h1j n SER 63 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3h1j n ALA 64 N -5.03 0.56 -1.94 -0.43 0.00 -1.26 -4.99 120.51 107.42 3h1j n ALA 64 Ca 0.02 0.39 -0.28 0.00 0.00 0.00 0.00 53.44 53.57 3h1j n ALA 64 Cb 0.54 -2.15 0.15 0.00 0.00 0.00 0.00 19.45 17.99 3h1j n ALA 64 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3h1j s SER 65 N -0.30 3.69 0.33 0.00 1.04 -1.26 -4.99 113.70 112.20 3h1j s SER 65 Ca 0.59 0.21 0.17 0.00 0.48 0.00 0.00 55.95 57.40 3h1j s SER 65 Cb -0.65 -0.43 0.48 0.00 0.10 0.00 0.00 66.02 65.52 3h1j s SER 65 CO 0.59 -2.35 1.64 0.00 0.98 0.00 0.00 173.24 174.09 3h1j h ALA 66 N -1.25 0.89 0.00 5.32 0.00 -2.01 -2.76 119.26 119.45 3h1j h ALA 66 Ca -0.43 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.07 3h1j h ALA 66 Cb 1.26 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3h1j h ALA 66 CO 0.44 0.57 0.00 -0.40 0.00 0.00 0.00 179.25 179.86 3h1j n ASP 67 N -3.47 0.18 -4.57 0.00 5.75 -1.26 -4.09 116.55 109.09 3h1j n ASP 67 Ca 0.00 0.56 -0.37 0.00 -0.01 0.00 0.00 54.79 54.97 3h1j n ASP 67 Cb 0.59 -0.59 -0.03 0.00 -1.03 0.00 0.00 41.12 40.06 3h1j n ASP 67 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3h1j s VAL 68 N -3.11 3.86 0.00 2.12 1.01 -1.04 -4.93 120.40 118.30 3h1j s VAL 68 Ca 0.04 -1.27 0.00 0.00 0.00 0.00 0.00 61.98 60.75 3h1j s VAL 68 Cb 0.07 -4.88 0.00 0.00 0.00 0.00 0.00 36.38 31.56 3h1j s VAL 68 CO 0.21 -1.63 0.00 0.00 0.00 0.00 0.00 175.10 173.68 3h1j n LEU 69 N 10.66 0.00 0.00 3.92 -0.00 -1.26 -4.98 117.00 125.34 3h1j n LEU 69 Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.45 3h1j n LEU 69 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.89 3h1j n LEU 69 CO 0.71 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 178.10 3h1j n ALA 70 N -3.00 0.00 -1.98 1.47 0.00 -1.26 -5.14 120.51 110.60 3h1j n ALA 70 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 3h1j n ALA 70 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 3h1j n ALA 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3h1j s LEU 71 N 0.00 2.95 0.00 0.00 1.43 -1.26 -5.11 118.68 116.69 3h1j s LEU 71 Ca 0.00 0.65 0.00 0.00 -1.03 0.00 0.00 54.13 53.75 3h1j s LEU 71 Cb 0.00 -3.37 0.00 0.00 0.03 0.00 0.00 46.19 42.85 3h1j s LEU 71 CO 0.00 -1.40 0.00 -1.54 0.23 0.00 0.00 176.35 173.64 3h1j n SER 72 N -2.84 0.00 -3.48 2.29 3.41 -1.26 -5.03 113.62 106.72 3h1j n SER 72 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 3h1j n SER 72 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 3h1j n SER 72 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3h1j n LYS 73 N 0.00 2.48 0.00 4.33 5.02 -1.26 -4.88 118.16 123.84 3h1j n LYS 73 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3h1j n LYS 73 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3h1j n LYS 73 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 3h1j n ILE 74 N -0.01 0.00 -3.52 -0.18 3.06 -1.01 -4.93 119.36 112.77 3h1j n ILE 74 Ca 0.00 0.00 -0.32 0.00 -2.50 0.00 0.00 62.75 59.93 3h1j n ILE 74 Cb 0.00 0.00 -0.05 0.00 0.54 0.00 0.00 39.64 40.13 3h1j n ILE 74 CO 0.00 0.00 0.00 -1.61 -2.50 0.00 0.00 176.55 172.44 3h1j s GLU 75 N 0.00 3.75 -0.10 9.51 2.02 -1.26 -1.93 118.70 130.68 3h1j s GLU 75 Ca 0.00 0.15 -0.04 0.00 0.02 0.00 0.00 54.97 55.10 3h1j s GLU 75 Cb 0.00 -2.79 0.05 0.00 0.10 0.00 0.00 34.13 31.49 3h1j s GLU 75 CO 0.00 0.42 0.21 0.42 0.02 0.00 0.00 175.26 176.32 3h1j s ILE 76 N -1.67 -0.29 -0.44 -1.63 1.01 0.14 -4.99 121.20 113.33 3h1j s ILE 76 Ca 0.42 0.30 -0.29 0.00 0.00 0.00 0.00 60.65 61.08 3h1j s ILE 76 Cb -0.12 -0.36 0.01 0.00 0.01 0.00 0.00 42.46 42.00 3h1j s ILE 76 CO 0.22 0.12 1.39 -0.75 0.00 0.00 0.00 174.94 175.92 3h1j s LYS 77 N 2.16 3.55 0.00 2.79 2.20 -1.26 -0.43 119.74 128.75 3h1j s LYS 77 Ca 0.00 0.83 0.00 0.00 -0.36 0.00 0.00 55.97 56.45 3h1j s LYS 77 Cb -0.12 -4.03 0.00 0.00 -1.51 0.00 0.00 37.83 32.17 3h1j s LYS 77 CO -0.07 -1.60 0.33 1.28 -0.36 0.00 0.00 175.35 174.93 3h1j n LEU 78 N 8.84 0.00 0.03 5.43 4.77 0.13 -0.84 117.00 135.36 3h1j n LEU 78 Ca 0.16 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.17 3h1j n LEU 78 Cb 0.48 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.48 3h1j n LEU 78 CO 0.71 0.00 -0.40 -1.20 -1.33 0.00 0.00 177.39 175.16 3h1j n SER 79 N -0.81 0.61 0.16 -1.43 7.64 -1.25 -3.73 113.62 114.80 3h1j n SER 79 Ca 0.00 0.26 0.13 0.00 1.01 0.00 0.00 58.87 60.27 3h1j n SER 79 Cb 0.00 0.65 0.44 0.00 -1.01 0.00 0.00 64.21 64.30 3h1j n SER 79 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 3h1j h ASP 80 N 0.00 0.00 -3.63 6.43 3.32 -1.34 -3.36 116.42 117.84 3h1j h ASP 80 Ca -0.14 0.00 -0.70 0.00 0.02 0.00 0.00 57.03 56.21 3h1j h ASP 80 Cb 1.42 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 40.61 3h1j h ASP 80 CO 0.02 0.00 -0.20 -0.63 -1.72 0.00 0.00 179.24 176.71 3h1j s ILE 81 N -3.28 4.11 0.92 0.35 1.01 -1.24 -5.08 121.20 117.99 3h1j s ILE 81 Ca 0.06 -3.54 -0.10 0.00 0.00 0.00 0.00 60.65 57.06 3h1j s ILE 81 Cb 0.10 -3.59 0.15 0.00 0.01 0.00 0.00 42.46 39.12 3h1j s ILE 81 CO 0.53 -1.01 1.12 -2.16 0.00 0.00 0.00 174.94 173.42 3h1j s PRO 82 N -0.88 0.98 0.56 2.79 0.04 -1.26 -4.70 135.00 132.53 3h1j s PRO 82 Ca 0.23 1.38 -0.21 0.00 0.04 0.00 0.00 61.00 62.44 3h1j s PRO 82 Cb -0.12 -1.74 -0.05 0.00 0.04 0.00 0.00 34.50 32.64 3h1j s PRO 82 CO -0.09 -2.60 1.31 -1.91 0.04 0.00 0.00 177.00 173.75 3h1j n GLU 83 N -4.20 1.57 -1.03 4.56 2.13 -1.26 -2.85 120.64 119.56 3h1j n GLU 83 Ca 0.10 0.58 -0.01 0.00 0.66 0.00 0.00 57.16 58.49 3h1j n GLU 83 Cb 0.53 -2.52 -0.00 0.00 0.27 0.00 0.00 31.44 29.71 3h1j n GLU 83 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3h1j n GLY 84 N 0.83 0.49 3.15 8.31 0.00 0.64 -4.96 105.19 113.65 3h1j n GLY 84 Ca 0.11 -0.43 -0.16 0.00 0.00 0.00 0.00 46.02 45.54 3h1j n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h1j s LYS 85 N -1.06 0.78 0.04 1.61 2.20 -1.13 -4.99 119.74 117.19 3h1j s LYS 85 Ca 0.00 -0.99 0.09 0.00 -0.36 0.00 0.00 55.97 54.71 3h1j s LYS 85 Cb 0.00 -0.63 -0.03 0.00 -1.51 0.00 0.00 37.83 35.66 3h1j s LYS 85 CO 0.00 0.12 -0.26 1.21 -0.36 0.00 0.00 175.35 176.06 3h1j s ASN 86 N -1.96 3.12 -0.00 1.43 2.47 -1.26 -0.54 114.94 118.19 3h1j s ASN 86 Ca -0.01 -0.58 -0.00 0.00 0.42 0.00 0.00 52.86 52.69 3h1j s ASN 86 Cb -0.08 -0.28 0.00 0.00 -1.45 0.00 0.00 41.25 39.44 3h1j s ASN 86 CO 0.01 0.26 0.01 -0.69 -3.72 0.00 0.00 177.10 172.97 3h1j s VAL 87 N -0.80 -0.00 -0.06 -5.21 1.01 -1.05 -5.00 120.40 109.29 3h1j s VAL 87 Ca 0.11 0.02 -0.04 0.00 0.00 0.00 0.00 61.98 62.07 3h1j s VAL 87 Cb -0.10 -0.03 -0.04 0.00 0.00 0.00 0.00 36.38 36.22 3h1j s VAL 87 CO 0.02 0.01 0.14 0.00 0.00 0.00 0.00 175.10 175.27 3h1j s ALA 88 N 0.09 3.85 -0.02 5.51 0.00 -1.26 -2.72 121.76 127.21 3h1j s ALA 88 Ca -0.01 -0.72 0.03 0.00 0.00 0.00 0.00 51.96 51.26 3h1j s ALA 88 Cb -0.01 -1.87 -0.00 0.00 0.00 0.00 0.00 23.12 21.24 3h1j s ALA 88 CO -0.00 0.68 -0.10 -0.06 0.00 0.00 0.00 175.76 176.28 3h1j s PHE 89 N -1.16 0.94 0.52 0.00 0.40 -0.80 -4.96 117.98 112.93 3h1j s PHE 89 Ca 0.21 -0.21 -0.23 0.00 -0.60 0.00 0.00 56.93 56.10 3h1j s PHE 89 Cb -0.12 -0.64 -0.06 0.00 0.51 0.00 0.00 43.02 42.71 3h1j s PHE 89 CO 0.11 -0.06 1.36 0.21 0.70 0.00 0.00 175.22 177.54 3h1j s LYS 90 N -0.02 3.32 -0.30 0.44 2.47 -1.26 -2.51 119.74 121.88 3h1j s LYS 90 Ca 0.00 2.25 -0.20 0.00 -1.56 0.00 0.00 55.97 56.46 3h1j s LYS 90 Cb -0.06 -2.37 0.20 0.00 -1.46 0.00 0.00 37.83 34.14 3h1j s LYS 90 CO 0.00 -1.05 1.34 -0.46 0.16 0.00 0.00 175.35 175.34 3h1j s TRP 91 N -1.29 -0.07 -0.27 4.03 -0.00 -1.24 -4.89 118.94 115.21 3h1j s TRP 91 Ca 0.68 0.15 -0.03 0.00 -0.00 0.00 0.00 56.10 56.90 3h1j s TRP 91 Cb -0.40 0.24 0.03 0.00 -0.00 0.00 0.00 33.47 33.34 3h1j s TRP 91 CO 0.49 -0.03 0.09 0.54 -0.00 0.00 0.00 176.95 178.03 3h1j n ARG 92 N 2.42 -2.45 0.00 5.86 1.74 -1.26 -2.93 116.66 120.03 3h1j n ARG 92 Ca -0.14 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 56.96 3h1j n ARG 92 Cb 0.57 -4.03 0.00 0.00 -1.02 0.00 0.00 32.46 27.98 3h1j n ARG 92 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h1j n GLY 93 N -0.53 0.76 3.78 -0.13 0.00 -1.26 -5.00 105.19 102.80 3h1j n GLY 93 Ca 0.02 -0.71 -0.31 0.00 0.00 0.00 0.00 46.02 45.01 3h1j n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h1j s LYS 94 N 0.00 2.36 0.77 1.61 -0.14 -1.15 -4.95 119.74 118.23 3h1j s LYS 94 Ca 0.00 1.14 -0.08 0.00 -1.36 0.00 0.00 55.97 55.67 3h1j s LYS 94 Cb 0.00 -1.91 0.08 0.00 -1.68 0.00 0.00 37.83 34.32 3h1j s LYS 94 CO 0.00 -1.56 0.13 -2.30 -0.76 0.00 0.00 175.35 170.86 3h1j n PRO 95 N -3.46 -1.20 -3.63 -1.68 -0.02 -1.26 -3.69 135.00 120.05 3h1j n PRO 95 Ca 0.09 -0.36 -0.02 0.00 -2.02 0.00 0.00 63.50 61.20 3h1j n PRO 95 Cb 0.53 -1.24 -0.04 0.00 -0.02 0.00 0.00 33.50 32.73 3h1j n PRO 95 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3h1j s LEU 96 N 4.00 -1.11 0.15 2.45 2.96 -1.05 -3.92 118.68 122.18 3h1j s LEU 96 Ca 0.19 1.49 -0.04 0.00 -0.22 0.00 0.00 54.13 55.55 3h1j s LEU 96 Cb -0.03 2.21 -0.05 0.00 0.50 0.00 0.00 46.19 48.82 3h1j s LEU 96 CO 0.18 -0.22 0.37 -0.36 -1.32 0.00 0.00 176.35 175.00 3h1j s PHE 97 N 2.87 3.48 -0.27 5.38 0.08 0.10 -1.90 117.98 127.72 3h1j s PHE 97 Ca -0.05 0.51 -0.01 0.00 0.12 0.00 0.00 56.93 57.51 3h1j s PHE 97 Cb -0.12 -1.97 0.14 0.00 -0.57 0.00 0.00 43.02 40.49 3h1j s PHE 97 CO -0.18 0.43 0.33 0.08 -0.10 0.00 0.00 175.22 175.77 3h1j s VAL 98 N -1.69 -0.49 -0.13 -0.44 1.01 -1.10 -2.87 120.40 114.69 3h1j s VAL 98 Ca 0.40 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.08 3h1j s VAL 98 Cb -0.12 -0.92 -0.01 0.00 0.00 0.00 0.00 36.38 35.33 3h1j s VAL 98 CO 0.26 -0.32 -0.16 -0.60 0.00 0.00 0.00 175.10 174.27 3h1j s ARG 99 N 2.44 3.27 -0.53 2.72 3.52 -0.11 -2.51 118.95 127.75 3h1j s ARG 99 Ca 0.10 -0.75 -0.23 0.00 -0.13 0.00 0.00 55.73 54.72 3h1j s ARG 99 Cb -0.14 -2.54 0.04 0.00 -1.56 0.00 0.00 34.95 30.76 3h1j s ARG 99 CO -0.26 0.18 0.84 -1.58 -0.81 0.00 0.00 175.30 173.66 3h1j s HIS 100 N 0.42 2.88 -0.07 5.12 5.65 0.29 -0.97 115.29 128.61 3h1j s HIS 100 Ca -0.12 -0.13 -0.22 0.00 0.25 0.00 0.00 55.06 54.84 3h1j s HIS 100 Cb -0.16 -3.89 -0.04 0.00 -1.18 0.00 0.00 32.58 27.31 3h1j s HIS 100 CO 0.06 -1.23 0.63 1.03 -0.65 0.00 0.00 174.74 174.58 3h1j s ARG 101 N 3.53 4.40 0.56 2.88 0.52 0.62 -0.26 118.95 131.20 3h1j s ARG 101 Ca 0.26 0.75 -0.15 0.00 -0.52 0.00 0.00 55.73 56.07 3h1j s ARG 101 Cb -0.14 -3.43 -0.06 0.00 0.52 0.00 0.00 34.95 31.84 3h1j s ARG 101 CO 0.18 0.13 1.01 0.95 0.02 0.00 0.00 175.30 177.58 3h1j s THR 102 N 0.62 4.52 -1.34 0.02 -4.23 -1.26 -4.48 115.64 109.49 3h1j s THR 102 Ca 0.34 1.07 0.15 0.00 -1.18 0.00 0.00 61.69 62.06 3h1j s THR 102 Cb -0.17 -3.73 0.23 0.00 1.34 0.00 0.00 72.50 70.17 3h1j s THR 102 CO 0.16 -0.82 1.41 1.67 -0.54 0.00 0.00 174.62 176.50 3h1j n GLN 103 N -2.03 0.16 0.17 3.99 7.27 -1.26 -1.72 117.38 123.97 3h1j n GLN 103 Ca 0.07 0.17 0.03 0.00 0.07 0.00 0.00 57.00 57.34 3h1j n GLN 103 Cb 0.54 -1.50 0.42 0.00 2.41 0.00 0.00 30.24 32.11 3h1j n GLN 103 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3h1j h ALA 104 N 2.65 1.55 0.00 1.69 0.00 -2.01 -2.96 119.26 120.19 3h1j h ALA 104 Ca 0.00 -0.22 -0.38 0.00 0.00 0.00 0.00 54.91 54.31 3h1j h ALA 104 Cb 0.16 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 3h1j h ALA 104 CO 0.00 0.33 -2.09 0.39 0.00 0.00 0.00 179.25 177.88 3h1j n GLU 105 N -4.26 0.59 -0.60 0.00 1.02 -0.70 -4.39 120.64 112.31 3h1j n GLU 105 Ca -0.02 0.36 0.46 0.00 -0.02 0.00 0.00 57.16 57.95 3h1j n GLU 105 Cb 0.29 -1.59 0.71 0.00 -0.02 0.00 0.00 31.44 30.83 3h1j n GLU 105 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3h1j n ILE 106 N -4.22 0.00 0.05 -3.67 5.41 -0.79 -0.30 119.36 115.84 3h1j n ILE 106 Ca -0.46 1.33 -0.03 0.00 1.00 0.00 0.00 62.75 64.60 3h1j n ILE 106 Cb 0.83 -2.24 -0.01 0.00 -0.71 0.00 0.00 39.64 37.51 3h1j n ILE 106 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 3h1j h ASN 107 N 0.00 -0.14 -0.99 4.38 2.35 -1.72 -3.18 115.58 116.28 3h1j h ASN 107 Ca 0.81 0.00 0.21 0.00 -0.55 0.00 0.00 56.30 56.77 3h1j h ASN 107 Cb 3.36 0.04 -0.19 0.00 0.05 0.00 0.00 38.32 41.58 3h1j h ASN 107 CO -0.01 0.00 -0.20 1.56 -1.65 0.00 0.00 177.43 177.14 3h1j h GLN 108 N -0.37 0.00 0.00 0.81 4.20 -0.87 0.71 115.11 119.59 3h1j h GLN 108 Ca -0.02 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3h1j h GLN 108 Cb 0.13 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 3h1j h GLN 108 CO 0.03 0.00 0.00 0.93 -0.67 0.00 0.00 178.83 179.12 3h1j h GLU 109 N 0.00 0.00 -0.01 1.46 4.39 -1.48 -0.58 114.58 118.36 3h1j h GLU 109 Ca 0.50 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.20 3h1j h GLU 109 Cb 0.81 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 3h1j h GLU 109 CO -1.00 0.00 -0.12 0.00 -1.16 0.00 0.00 179.01 176.73 3h1j n ALA 110 N -1.79 2.67 -2.43 3.43 0.00 0.22 -4.02 120.51 118.58 3h1j n ALA 110 Ca -0.00 -0.46 -0.29 0.00 0.00 0.00 0.00 53.44 52.69 3h1j n ALA 110 Cb 0.11 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.27 3h1j n ALA 110 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3h1j n GLU 111 N -0.04 3.34 -4.06 0.00 1.02 0.30 -4.99 120.64 116.21 3h1j n GLU 111 Ca 0.04 -4.39 -0.13 0.00 -0.02 0.00 0.00 57.16 52.66 3h1j n GLU 111 Cb 0.19 -2.26 -0.12 0.00 -0.02 0.00 0.00 31.44 29.24 3h1j n GLU 111 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3h1j s VAL 112 N -5.36 0.46 -0.80 2.62 1.01 -1.23 -4.88 120.40 112.20 3h1j s VAL 112 Ca 0.49 -0.92 -0.25 0.00 0.00 0.00 0.00 61.98 61.30 3h1j s VAL 112 Cb 0.39 -0.52 -0.18 0.00 0.00 0.00 0.00 36.38 36.08 3h1j s VAL 112 CO -0.22 -0.32 2.48 0.47 0.00 0.00 0.00 175.10 177.51 3h1j n ASP 113 N 1.72 0.89 0.00 3.32 8.00 -1.26 -4.70 116.55 124.52 3h1j n ASP 113 Ca -0.21 -0.41 0.11 0.00 0.71 0.00 0.00 54.79 54.98 3h1j n ASP 113 Cb 0.55 -1.18 0.58 0.00 -0.02 0.00 0.00 41.12 41.05 3h1j n ASP 113 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3h1j n VAL 114 N 7.53 0.20 0.03 2.53 0.31 -1.26 -1.87 118.33 125.80 3h1j n VAL 114 Ca 0.54 0.05 0.07 0.00 -0.01 0.00 0.00 64.34 64.99 3h1j n VAL 114 Cb 0.28 -0.70 -0.10 0.00 -0.91 0.00 0.00 33.84 32.41 3h1j n VAL 114 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3h1j n SER 115 N -1.16 0.44 -2.01 4.52 3.41 -1.26 -4.13 113.62 113.43 3h1j n SER 115 Ca 0.13 0.18 -0.18 0.00 -0.26 0.00 0.00 58.87 58.73 3h1j n SER 115 Cb 0.13 1.05 0.17 0.00 -0.26 0.00 0.00 64.21 65.29 3h1j n SER 115 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3h1j n LYS 116 N -2.56 2.21 -4.24 4.33 5.02 -0.78 -4.94 118.16 117.20 3h1j n LYS 116 Ca -0.06 -2.54 -0.35 0.00 -2.02 0.00 0.00 58.31 53.33 3h1j n LYS 116 Cb 0.67 -2.00 -0.09 0.00 -0.02 0.00 0.00 35.03 33.59 3h1j n LYS 116 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3h1j s LEU 117 N -2.74 3.75 0.10 -0.35 1.43 -1.25 -5.01 118.68 114.61 3h1j s LEU 117 Ca 0.48 0.19 -0.28 0.00 -1.03 0.00 0.00 54.13 53.49 3h1j s LEU 117 Cb 0.40 -1.88 -0.10 0.00 0.03 0.00 0.00 46.19 44.64 3h1j s LEU 117 CO 0.10 0.35 1.63 -0.09 0.23 0.00 0.00 176.35 178.57 3h1j h ARG 118 N 5.35 -0.52 -3.66 1.70 2.43 -1.92 -3.21 114.38 114.55 3h1j h ARG 118 Ca -0.49 0.04 -0.70 0.00 -0.81 0.00 0.00 59.98 58.01 3h1j h ARG 118 Cb 1.20 0.12 -0.35 0.00 -0.42 0.00 0.00 29.97 30.52 3h1j h ARG 118 CO 0.57 -0.35 -0.36 0.34 -1.51 0.00 0.00 179.97 178.66 3h1j s ASP 119 N -4.75 5.29 -0.01 -3.80 2.15 -1.26 -5.04 116.67 109.24 3h1j s ASP 119 Ca -0.16 -2.79 -0.30 0.00 0.43 0.00 0.00 52.55 49.73 3h1j s ASP 119 Cb 0.07 -1.86 -0.07 0.00 -0.30 0.00 0.00 42.92 40.75 3h1j s ASP 119 CO 0.64 -0.39 1.87 -2.16 -0.17 0.00 0.00 175.17 174.97 3h1j s PRO 120 N 0.03 4.08 0.06 4.34 0.04 -1.22 -4.82 135.00 137.51 3h1j s PRO 120 Ca 0.16 2.42 -0.27 0.00 0.04 0.00 0.00 61.00 63.35 3h1j s PRO 120 Cb -0.20 -4.12 0.07 0.00 0.04 0.00 0.00 34.50 30.29 3h1j s PRO 120 CO -0.04 -1.00 0.63 -0.65 0.04 0.00 0.00 177.00 175.99 3h1j s GLN 121 N 4.45 1.16 -0.19 4.56 -0.21 -1.26 -5.10 119.66 123.07 3h1j s GLN 121 Ca 0.84 -0.12 -0.08 0.00 0.02 0.00 0.00 55.36 56.02 3h1j s GLN 121 Cb -0.39 0.54 -0.04 0.00 1.00 0.00 0.00 33.01 34.12 3h1j s GLN 121 CO 0.37 -0.44 0.08 -1.58 -2.12 0.00 0.00 175.29 171.60 3h1j s HIS 122 N -2.49 3.29 0.50 0.91 5.65 -1.26 -4.90 115.29 117.00 3h1j s HIS 122 Ca -0.05 0.14 0.45 0.00 0.25 0.00 0.00 55.06 55.85 3h1j s HIS 122 Cb -0.01 -2.10 1.58 0.00 -1.18 0.00 0.00 32.58 30.88 3h1j s HIS 122 CO -0.02 0.19 1.44 -3.47 -0.65 0.00 0.00 174.74 172.23 3h1j n ASP 123 N 3.52 0.02 0.19 9.88 2.03 -1.26 -0.62 116.55 130.31 3h1j n ASP 123 Ca -0.16 0.94 -0.13 0.00 0.52 0.00 0.00 54.79 55.96 3h1j n ASP 123 Cb 0.52 -0.47 -0.08 0.00 -0.72 0.00 0.00 41.12 40.37 3h1j n ASP 123 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3h1j h LEU 124 N 0.00 -0.43 0.00 -2.67 3.38 -1.90 -3.06 115.31 110.63 3h1j h LEU 124 Ca 0.87 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.70 3h1j h LEU 124 Cb 3.43 0.11 0.00 0.00 0.09 0.00 0.00 40.66 44.29 3h1j h LEU 124 CO -0.04 -0.05 0.00 -0.90 0.09 0.00 0.00 178.44 177.54 3h1j n ASP 125 N -5.17 0.00 -0.12 -0.43 5.68 0.21 -3.03 116.55 113.68 3h1j n ASP 125 Ca -0.10 -1.25 -0.26 0.00 -0.50 0.00 0.00 54.79 52.68 3h1j n ASP 125 Cb 0.28 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.15 3h1j n ASP 125 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3h1j n ARG 126 N -0.56 0.61 -1.53 0.11 1.74 -1.12 -4.95 116.66 110.96 3h1j n ARG 126 Ca 0.02 0.29 0.00 0.00 -0.77 0.00 0.00 57.85 57.39 3h1j n ARG 126 Cb 0.01 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 29.90 3h1j n ARG 126 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 3h1j n VAL 127 N -4.05 0.00 0.03 1.55 0.24 -1.17 -4.98 118.33 109.96 3h1j n VAL 127 Ca -0.48 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 61.82 3h1j n VAL 127 Cb 0.88 -0.44 0.00 0.00 -1.47 0.00 0.00 33.84 32.82 3h1j n VAL 127 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3h1j n LYS 128 N -0.43 0.00 -3.55 7.34 5.02 -1.26 -4.89 118.16 120.40 3h1j n LYS 128 Ca 0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.88 3h1j n LYS 128 Cb 0.00 -0.48 -0.10 0.00 -0.02 0.00 0.00 35.03 34.42 3h1j n LYS 128 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3h1j s LYS 129 N -2.00 2.84 0.19 1.97 1.02 -1.26 -4.96 119.74 117.53 3h1j s LYS 129 Ca 0.00 -1.14 0.01 0.00 0.02 0.00 0.00 55.97 54.86 3h1j s LYS 129 Cb 0.00 -3.84 0.08 0.00 -0.52 0.00 0.00 37.83 33.55 3h1j s LYS 129 CO 0.00 -0.78 0.73 -2.30 -0.92 0.00 0.00 175.35 172.08 3h1j n PRO 130 N 5.05 0.02 0.00 -1.68 -0.02 -1.26 0.17 135.00 137.27 3h1j n PRO 130 Ca -0.11 0.30 0.10 0.00 -2.02 0.00 0.00 63.50 61.77 3h1j n PRO 130 Cb 0.46 -2.12 -0.07 0.00 -0.02 0.00 0.00 33.50 31.75 3h1j n PRO 130 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3h1j n GLU 131 N -1.48 0.79 -4.71 -0.52 0.00 -1.26 -4.72 120.64 108.74 3h1j n GLU 131 Ca -0.00 -0.41 -0.24 0.00 0.00 0.00 0.00 57.16 56.51 3h1j n GLU 131 Cb 0.57 -1.44 -0.16 0.00 0.00 0.00 0.00 31.44 30.42 3h1j n GLU 131 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 3h1j s TRP 132 N -2.66 1.46 -0.08 -1.84 0.52 0.44 0.23 118.94 117.00 3h1j s TRP 132 Ca 0.12 -0.37 0.01 0.00 0.02 0.00 0.00 56.10 55.88 3h1j s TRP 132 Cb 0.16 -0.98 0.02 0.00 -1.15 0.00 0.00 33.47 31.52 3h1j s TRP 132 CO 0.70 -0.11 -0.10 0.54 0.02 0.00 0.00 176.95 178.00 3h1j s VAL 133 N -0.04 1.05 -0.11 4.03 0.11 -0.14 -4.36 120.40 120.95 3h1j s VAL 133 Ca -0.01 -0.38 0.01 0.00 -2.93 0.00 0.00 61.98 58.68 3h1j s VAL 133 Cb -0.09 -1.01 0.02 0.00 -1.53 0.00 0.00 36.38 33.76 3h1j s VAL 133 CO 0.01 0.35 -0.14 -0.63 -3.33 0.00 0.00 175.10 171.36 3h1j s ILE 134 N 1.10 1.42 0.18 7.04 1.01 -1.26 -0.94 121.20 129.75 3h1j s ILE 134 Ca -0.06 -0.59 -0.12 0.00 0.00 0.00 0.00 60.65 59.87 3h1j s ILE 134 Cb -0.14 -1.31 0.00 0.00 0.01 0.00 0.00 42.46 41.02 3h1j s ILE 134 CO -0.01 0.43 0.37 -1.48 0.00 0.00 0.00 174.94 174.25 3h1j s LEU 135 N 1.05 0.63 -0.51 2.97 0.05 -1.14 -4.29 118.68 117.44 3h1j s LEU 135 Ca -0.06 -0.73 -0.24 0.00 0.05 0.00 0.00 54.13 53.15 3h1j s LEU 135 Cb -0.15 1.55 0.04 0.00 -2.05 0.00 0.00 46.19 45.58 3h1j s LEU 135 CO -0.02 -0.96 0.91 -0.69 -0.55 0.00 0.00 176.35 175.04 3h1j s VAL 136 N -3.93 4.45 -0.03 1.48 1.01 0.11 0.02 120.40 123.51 3h1j s VAL 136 Ca 0.14 0.41 -0.15 0.00 0.00 0.00 0.00 61.98 62.39 3h1j s VAL 136 Cb 0.02 -4.48 -0.18 0.00 0.00 0.00 0.00 36.38 31.73 3h1j s VAL 136 CO -0.01 -0.98 1.31 0.61 0.00 0.00 0.00 175.10 176.03 3h1j n GLY 137 N 5.05 1.16 2.67 4.51 0.00 -1.25 -4.22 105.19 113.10 3h1j n GLY 137 Ca 0.03 -0.47 -0.22 0.00 0.00 0.00 0.00 46.02 45.36 3h1j n GLY 137 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h1j s VAL 138 N 5.92 -0.04 0.20 1.61 1.01 -1.26 -4.22 120.40 123.61 3h1j s VAL 138 Ca 0.34 0.24 -0.33 0.00 0.00 0.00 0.00 61.98 62.24 3h1j s VAL 138 Cb 0.07 -0.30 -0.13 0.00 0.00 0.00 0.00 36.38 36.02 3h1j s VAL 138 CO 0.17 0.08 1.53 0.00 0.00 0.00 0.00 175.10 176.87 3h1j n THR 140 N 2.83 0.36 0.00 0.00 -2.24 -1.26 -2.17 114.28 111.80 3h1j n THR 140 Ca 0.14 0.09 0.00 0.00 -2.27 0.00 0.00 64.05 62.01 3h1j n THR 140 Cb 0.30 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 67.81 3h1j n THR 140 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 3h1j n HIS 141 N -1.33 0.00 -2.15 4.78 -0.00 -1.26 -4.55 115.22 110.71 3h1j n HIS 141 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.82 3h1j n HIS 141 Cb 0.19 0.00 0.09 0.00 -0.00 0.00 0.00 29.99 30.27 3h1j n HIS 141 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 3h1j n LEU 142 N -0.28 2.26 0.00 0.27 4.77 -1.26 -4.95 117.00 117.81 3h1j n LEU 142 Ca 0.00 -3.23 0.00 0.00 -0.03 0.00 0.00 56.01 52.75 3h1j n LEU 142 Cb 0.00 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 3h1j n LEU 142 CO 0.00 1.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.80 3h1j n GLY 143 N -0.41 0.92 3.72 -0.72 0.00 -0.92 -5.03 105.19 102.74 3h1j n GLY 143 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 3h1j n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1j s VAL 145 N -2.94 4.84 0.30 0.00 1.01 -1.26 0.15 120.40 122.51 3h1j s VAL 145 Ca 0.64 1.28 -0.29 0.00 0.00 0.00 0.00 61.98 63.61 3h1j s VAL 145 Cb -0.18 -4.10 -0.10 0.00 0.00 0.00 0.00 36.38 32.00 3h1j s VAL 145 CO 0.57 -0.15 1.42 -2.84 0.00 0.00 0.00 175.10 174.10 3h1j s PRO 146 N 2.84 4.25 -0.11 2.72 0.02 -1.26 -4.66 135.00 138.80 3h1j s PRO 146 Ca 0.32 2.36 -0.24 0.00 0.02 0.00 0.00 61.00 63.45 3h1j s PRO 146 Cb -0.15 -3.06 -0.03 0.00 0.02 0.00 0.00 34.50 31.28 3h1j s PRO 146 CO 0.10 -0.39 0.76 0.42 -0.33 0.00 0.00 177.00 177.56 3h1j s ILE 147 N -0.57 4.97 0.24 2.83 1.01 0.17 -4.79 121.20 125.06 3h1j s ILE 147 Ca 0.55 1.53 -0.30 0.00 0.00 0.00 0.00 60.65 62.44 3h1j s ILE 147 Cb -0.43 -4.09 -0.09 0.00 0.01 0.00 0.00 42.46 37.87 3h1j s ILE 147 CO 0.51 0.15 1.05 0.00 0.00 0.00 0.00 174.94 176.64 3h1j s ALA 148 N 1.42 3.37 -0.57 9.38 0.00 -1.26 -0.64 121.76 133.46 3h1j s ALA 148 Ca 0.38 0.79 -0.00 0.00 0.00 0.00 0.00 51.96 53.13 3h1j s ALA 148 Cb -0.17 -3.30 -0.01 0.00 0.00 0.00 0.00 23.12 19.64 3h1j s ALA 148 CO 0.16 -0.07 0.48 0.09 0.00 0.00 0.00 175.76 176.43 3h1j n ASN 149 N 1.61 -2.40 -3.51 0.00 3.02 0.03 -4.95 115.26 109.06 3h1j n ASN 149 Ca -0.00 -0.31 -0.11 0.00 -0.03 0.00 0.00 54.58 54.12 3h1j n ASN 149 Cb 0.46 -2.77 -0.03 0.00 -0.61 0.00 0.00 39.78 36.83 3h1j n ASN 149 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3h1j s SER 150 N -3.58 -0.45 0.00 6.41 1.04 -1.24 -5.02 113.70 110.86 3h1j s SER 150 Ca 0.04 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.34 3h1j s SER 150 Cb -0.00 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.68 3h1j s SER 150 CO 0.36 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 174.24 3h1j n GLY 151 N -0.34 -1.57 0.39 7.32 0.00 -1.26 -3.27 105.19 106.46 3h1j n GLY 151 Ca -0.16 -2.06 0.08 0.00 0.00 0.00 0.00 46.02 43.88 3h1j n GLY 151 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3h1j n ASP 152 N 0.00 2.86 -1.58 1.61 8.00 -1.26 -4.62 116.55 121.56 3h1j n ASP 152 Ca 0.00 -2.81 -0.00 0.00 0.71 0.00 0.00 54.79 52.69 3h1j n ASP 152 Cb 0.00 -0.39 0.08 0.00 -0.02 0.00 0.00 41.12 40.79 3h1j n ASP 152 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3h1j n PHE 153 N -0.82 0.62 -1.52 1.24 3.01 -1.26 -4.98 117.46 113.75 3h1j n PHE 153 Ca 0.15 -1.33 -0.02 0.00 1.01 0.00 0.00 57.45 57.26 3h1j n PHE 153 Cb 0.65 -0.22 -0.01 0.00 -0.01 0.00 0.00 39.48 39.89 3h1j n PHE 153 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3h1j n GLY 154 N -0.33 -0.04 0.00 1.37 0.00 -1.26 -3.20 105.19 101.73 3h1j n GLY 154 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3h1j n GLY 154 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h1j n GLY 155 N -0.20 0.70 3.19 -0.02 0.00 -1.10 -3.96 105.19 103.80 3h1j n GLY 155 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 3h1j n GLY 155 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h1j s TYR 156 N 1.09 1.06 -0.04 1.61 1.51 0.99 -0.79 117.35 122.79 3h1j s TYR 156 Ca 0.00 -1.25 -0.01 0.00 -1.01 0.00 0.00 57.07 54.80 3h1j s TYR 156 Cb 0.00 -0.57 0.03 0.00 -0.11 0.00 0.00 41.96 41.31 3h1j s TYR 156 CO 0.00 -0.50 0.03 -0.47 -1.11 0.00 0.00 175.55 173.49 3h1j s TYR 157 N -4.01 0.21 -0.31 2.71 5.04 0.19 -0.36 117.35 120.82 3h1j s TYR 157 Ca 0.30 0.09 -0.20 0.00 -2.44 0.00 0.00 57.07 54.82 3h1j s TYR 157 Cb 0.07 -0.44 -0.01 0.00 0.35 0.00 0.00 41.96 41.93 3h1j s TYR 157 CO 0.06 -0.16 0.60 0.00 -1.34 0.00 0.00 175.55 174.71 3h1j n PRO 159 N 5.86 0.53 0.01 0.00 -0.04 -1.26 -2.32 135.00 137.77 3h1j n PRO 159 Ca -0.02 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.23 3h1j n PRO 159 Cb 0.49 -1.45 -0.14 0.00 -0.04 0.00 0.00 33.50 32.36 3h1j n PRO 159 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h1j n HIS 161 N -3.98 0.00 -2.48 0.00 8.25 -1.25 -5.07 115.22 110.71 3h1j n HIS 161 Ca -0.23 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.15 3h1j n HIS 161 Cb 0.88 0.02 0.04 0.00 1.12 0.00 0.00 29.99 32.05 3h1j n HIS 161 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3h1j n GLY 162 N 0.00 -0.01 3.68 -1.41 0.00 -0.98 -4.50 105.19 101.97 3h1j n GLY 162 Ca 0.00 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 3h1j n GLY 162 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h1j s SER 163 N -3.38 6.05 -0.25 1.61 0.01 -1.22 -3.84 113.70 112.67 3h1j s SER 163 Ca 0.12 0.15 -0.09 0.00 1.31 0.00 0.00 55.95 57.44 3h1j s SER 163 Cb -0.02 -2.07 -0.04 0.00 0.21 0.00 0.00 66.02 64.10 3h1j s SER 163 CO 0.35 0.13 0.13 -1.00 0.41 0.00 0.00 173.24 173.25 3h1j s HIS 164 N 0.67 3.18 0.06 2.43 0.09 0.24 -1.34 115.29 120.62 3h1j s HIS 164 Ca 0.07 -0.09 0.06 0.00 -0.00 0.00 0.00 55.06 55.09 3h1j s HIS 164 Cb -0.12 -2.28 -0.04 0.00 -0.00 0.00 0.00 32.58 30.14 3h1j s HIS 164 CO 0.01 -0.19 -0.10 0.71 -0.00 0.00 0.00 174.74 175.17 3h1j s TYR 165 N 1.51 2.77 0.09 1.40 1.51 0.52 -0.32 117.35 124.82 3h1j s TYR 165 Ca 0.06 -0.13 -0.01 0.00 -1.01 0.00 0.00 57.07 55.98 3h1j s TYR 165 Cb -0.15 -1.49 0.02 0.00 -0.11 0.00 0.00 41.96 40.22 3h1j s TYR 165 CO 0.06 0.39 0.12 -0.40 -1.11 0.00 0.00 175.55 174.62 3h1j n ASP 166 N 1.08 0.07 0.00 2.29 5.68 -0.61 -0.00 116.55 125.06 3h1j n ASP 166 Ca -0.14 -1.08 0.09 0.00 -0.50 0.00 0.00 54.79 53.15 3h1j n ASP 166 Cb 0.52 -0.09 0.44 0.00 -1.14 0.00 0.00 41.12 40.85 3h1j n ASP 166 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3h1j n ALA 167 N -3.04 1.94 0.90 2.12 0.00 -1.20 -1.16 120.51 120.07 3h1j n ALA 167 Ca -0.02 -0.08 0.10 0.00 0.00 0.00 0.00 53.44 53.44 3h1j n ALA 167 Cb 0.06 -1.29 0.01 0.00 0.00 0.00 0.00 19.45 18.24 3h1j n ALA 167 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3h1j n SER 168 N -1.32 2.07 -0.25 0.00 2.88 -1.26 -4.91 113.62 110.83 3h1j n SER 168 Ca 0.08 -1.53 -0.03 0.00 -1.33 0.00 0.00 58.87 56.05 3h1j n SER 168 Cb 0.15 0.39 -0.01 0.00 -0.75 0.00 0.00 64.21 63.99 3h1j n SER 168 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3h1j n GLY 169 N 1.31 0.56 3.87 0.46 0.00 -0.31 -4.90 105.19 106.17 3h1j n GLY 169 Ca 0.09 -0.91 -0.33 0.00 0.00 0.00 0.00 46.02 44.87 3h1j n GLY 169 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h1j s ARG 170 N -2.56 3.83 -0.20 1.61 0.52 -1.26 -0.23 118.95 120.66 3h1j s ARG 170 Ca 0.00 0.29 -0.29 0.00 -0.52 0.00 0.00 55.73 55.20 3h1j s ARG 170 Cb 0.00 -2.79 -0.01 0.00 0.52 0.00 0.00 34.95 32.67 3h1j s ARG 170 CO 0.00 0.41 1.22 -1.50 0.02 0.00 0.00 175.30 175.45 3h1j s ILE 171 N -1.65 4.34 -0.11 1.52 1.10 -1.26 -1.57 121.20 123.58 3h1j s ILE 171 Ca 0.42 1.61 0.05 0.00 -0.51 0.00 0.00 60.65 62.22 3h1j s ILE 171 Cb -0.13 -4.09 -0.10 0.00 0.15 0.00 0.00 42.46 38.29 3h1j s ILE 171 CO 0.20 -0.21 -0.03 0.54 -2.11 0.00 0.00 174.94 173.34 3h1j n ARG 172 N 6.67 1.45 -3.74 3.50 5.12 0.56 -4.37 116.66 125.85 3h1j n ARG 172 Ca 0.14 0.03 -0.12 0.00 -1.93 0.00 0.00 57.85 55.97 3h1j n ARG 172 Cb 0.45 -1.24 -0.07 0.00 -1.16 0.00 0.00 32.46 30.44 3h1j n ARG 172 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 3h1j s LYS 173 N -2.23 0.82 0.00 5.56 2.20 -1.05 -4.98 119.74 120.06 3h1j s LYS 173 Ca -0.10 -0.46 0.00 0.00 -0.36 0.00 0.00 55.97 55.05 3h1j s LYS 173 Cb 0.03 0.36 0.00 0.00 -1.51 0.00 0.00 37.83 36.71 3h1j s LYS 173 CO 0.34 -0.27 0.00 0.41 -0.36 0.00 0.00 175.35 175.47 3h1j n GLY 174 N 0.61 -1.23 0.12 5.54 0.00 -1.25 0.79 105.19 109.76 3h1j n GLY 174 Ca -0.19 -2.20 0.12 0.00 0.00 0.00 0.00 46.02 43.76 3h1j n GLY 174 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h1j h PRO 175 N 4.33 0.00 -6.41 1.61 0.13 -1.79 -3.48 132.00 126.39 3h1j h PRO 175 Ca 0.00 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.50 3h1j h PRO 175 Cb 0.00 0.00 0.09 0.00 0.13 0.00 0.00 31.00 31.22 3h1j h PRO 175 CO 0.00 0.00 0.30 0.00 -0.23 0.00 0.00 178.00 178.07 3h1j n ALA 176 N -1.95 -0.32 0.09 -0.56 0.00 -1.26 -4.92 120.51 111.58 3h1j n ALA 176 Ca 0.03 0.44 -0.21 0.00 0.00 0.00 0.00 53.44 53.70 3h1j n ALA 176 Cb 0.48 -2.07 -0.15 0.00 0.00 0.00 0.00 19.45 17.72 3h1j n ALA 176 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3h1j h PRO 177 N 3.19 0.38 -5.18 0.00 0.13 -1.92 -3.48 132.00 125.12 3h1j h PRO 177 Ca -0.43 -0.64 -0.59 0.00 -0.87 0.00 0.00 66.00 63.48 3h1j h PRO 177 Cb 1.33 0.24 -0.13 0.00 0.13 0.00 0.00 31.00 32.57 3h1j h PRO 177 CO 0.69 1.28 -0.54 0.71 -0.23 0.00 0.00 178.00 179.90 3h1j s TYR 178 N -2.60 1.91 0.26 1.56 2.02 -1.26 -4.46 117.35 114.77 3h1j s TYR 178 Ca -0.11 -1.07 -0.21 0.00 -0.37 0.00 0.00 57.07 55.32 3h1j s TYR 178 Cb 0.06 -1.38 -0.09 0.00 -0.40 0.00 0.00 41.96 40.15 3h1j s TYR 178 CO 0.88 -0.01 0.78 -0.80 -1.57 0.00 0.00 175.55 174.83 3h1j s ASN 179 N -3.68 7.09 0.17 2.29 0.01 -1.26 -4.36 114.94 115.21 3h1j s ASN 179 Ca 0.22 1.50 -0.31 0.00 -0.71 0.00 0.00 52.86 53.56 3h1j s ASN 179 Cb 0.04 -2.45 -0.17 0.00 0.41 0.00 0.00 41.25 39.08 3h1j s ASN 179 CO 0.11 -0.02 0.75 0.18 -1.51 0.00 0.00 177.10 176.61 3h1j n LEU 180 N 0.57 -0.38 -4.77 0.60 4.77 0.68 -4.83 117.00 113.64 3h1j n LEU 180 Ca -0.01 1.14 -0.40 0.00 -0.03 0.00 0.00 56.01 56.72 3h1j n LEU 180 Cb 0.51 -1.01 0.01 0.00 -2.33 0.00 0.00 43.42 40.60 3h1j n LEU 180 CO 0.43 -2.43 1.03 -0.70 -1.33 0.00 0.00 177.39 174.39 3h1j s GLU 181 N -0.81 3.78 -0.18 3.23 2.12 -1.26 -4.81 118.70 120.77 3h1j s GLU 181 Ca 0.69 2.31 -0.04 0.00 0.36 0.00 0.00 54.97 58.30 3h1j s GLU 181 Cb -0.96 -2.68 -0.02 0.00 0.26 0.00 0.00 34.13 30.73 3h1j s GLU 181 CO 0.56 -0.70 -0.03 0.08 -0.54 0.00 0.00 175.26 174.63 3h1j s VAL 182 N -1.23 3.85 0.67 3.70 1.01 -1.26 0.07 120.40 127.20 3h1j s VAL 182 Ca 0.60 -0.36 -0.06 0.00 0.00 0.00 0.00 61.98 62.15 3h1j s VAL 182 Cb -0.41 -2.71 0.05 0.00 0.00 0.00 0.00 36.38 33.30 3h1j s VAL 182 CO 0.53 0.46 0.98 -2.16 0.00 0.00 0.00 175.10 174.91 3h1j s PRO 183 N 0.70 2.40 -0.35 2.72 0.04 -1.26 -4.96 135.00 134.29 3h1j s PRO 183 Ca -0.01 -0.21 -0.21 0.00 0.04 0.00 0.00 61.00 60.60 3h1j s PRO 183 Cb -0.14 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 32.19 3h1j s PRO 183 CO 0.02 -1.08 0.68 0.99 0.04 0.00 0.00 177.00 177.65 3h1j s THR 184 N -3.16 4.85 0.38 1.26 2.01 -1.26 -4.95 115.64 114.77 3h1j s THR 184 Ca 0.58 0.73 0.06 0.00 0.31 0.00 0.00 61.69 63.37 3h1j s THR 184 Cb -0.11 -4.10 -0.02 0.00 0.01 0.00 0.00 72.50 68.28 3h1j s THR 184 CO 0.45 -0.31 0.21 0.00 -0.69 0.00 0.00 174.62 174.28 3h1j n TYR 185 N 6.12 -0.30 -3.62 4.92 0.18 -1.26 -0.24 117.16 122.96 3h1j n TYR 185 Ca 0.00 -2.75 -0.02 0.00 1.88 0.00 0.00 57.90 57.02 3h1j n TYR 185 Cb 0.48 0.13 -0.04 0.00 -0.38 0.00 0.00 39.34 39.53 3h1j n TYR 185 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 3h1j s GLN 186 N -3.49 0.56 -1.19 -3.48 0.74 0.41 -4.98 119.66 108.23 3h1j s GLN 186 Ca 0.30 1.31 -0.22 0.00 0.05 0.00 0.00 55.36 56.81 3h1j s GLN 186 Cb 0.01 0.70 -0.07 0.00 1.10 0.00 0.00 33.01 34.76 3h1j s GLN 186 CO 0.21 -0.18 1.91 1.19 -0.55 0.00 0.00 175.29 177.87 3h1j n PHE 187 N 5.19 2.99 1.47 1.67 3.72 -1.26 -2.43 117.46 128.81 3h1j n PHE 187 Ca -0.13 -1.70 0.03 0.00 -0.05 0.00 0.00 57.45 55.60 3h1j n PHE 187 Cb 0.51 -2.59 0.07 0.00 -0.94 0.00 0.00 39.48 36.54 3h1j n PHE 187 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 3h1j n VAL 188 N 7.49 0.22 -4.11 -4.37 0.24 -1.24 -4.91 118.33 111.64 3h1j n VAL 188 Ca 0.46 -0.22 -0.08 0.00 -2.04 0.00 0.00 64.34 62.46 3h1j n VAL 188 Cb 0.46 0.10 -0.03 0.00 -1.47 0.00 0.00 33.84 32.90 3h1j n VAL 188 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h1j n GLY 189 N 0.74 3.59 0.11 7.63 0.00 -0.27 -4.98 105.19 112.01 3h1j n GLY 189 Ca 0.05 -1.75 -0.20 0.00 0.00 0.00 0.00 46.02 44.13 3h1j n GLY 189 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3h1j h ASP 190 N 0.81 0.36 -0.61 1.61 3.32 -2.02 -3.39 116.42 116.49 3h1j h ASP 190 Ca -0.09 -0.92 -0.29 0.00 0.02 0.00 0.00 57.03 55.75 3h1j h ASP 190 Cb 0.47 -0.12 -0.35 0.00 0.22 0.00 0.00 39.33 39.56 3h1j h ASP 190 CO 0.13 1.39 -0.98 -0.90 -1.72 0.00 0.00 179.24 177.16 3h1j n ASP 191 N -4.17 0.79 -3.34 6.45 5.75 -1.26 -5.01 116.55 115.77 3h1j n ASP 191 Ca -0.17 -2.42 -0.10 0.00 -0.01 0.00 0.00 54.79 52.09 3h1j n ASP 191 Cb 0.78 -0.21 -0.07 0.00 -1.03 0.00 0.00 41.12 40.59 3h1j n ASP 191 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3h1j s LEU 192 N -3.43 -0.64 0.08 -2.12 2.96 -1.26 -0.69 118.68 113.58 3h1j s LEU 192 Ca 0.25 -0.15 0.03 0.00 -0.22 0.00 0.00 54.13 54.04 3h1j s LEU 192 Cb 0.41 1.02 -0.04 0.00 0.50 0.00 0.00 46.19 48.08 3h1j s LEU 192 CO -0.02 -0.33 0.08 0.54 -1.32 0.00 0.00 176.35 175.30 3h1j s VAL 193 N 2.52 4.51 -0.08 1.68 0.11 0.43 -1.11 120.40 128.45 3h1j s VAL 193 Ca 0.11 -0.79 0.03 0.00 -2.93 0.00 0.00 61.98 58.40 3h1j s VAL 193 Cb -0.14 -3.18 0.01 0.00 -1.53 0.00 0.00 36.38 31.54 3h1j s VAL 193 CO -0.24 0.11 -0.18 -0.69 -3.33 0.00 0.00 175.10 170.78 3h1j s VAL 194 N -1.40 1.59 0.36 2.04 1.01 -1.02 0.24 120.40 123.23 3h1j s VAL 194 Ca 0.29 -0.75 0.08 0.00 0.00 0.00 0.00 61.98 61.60 3h1j s VAL 194 Cb -0.12 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 3h1j s VAL 194 CO 0.22 0.46 0.20 -0.69 0.00 0.00 0.00 175.10 175.29 3h1j s VAL 195 N 0.50 2.91 0.00 2.92 1.01 -0.81 -0.44 120.40 126.48 3h1j s VAL 195 Ca -0.17 -1.60 0.00 0.00 0.00 0.00 0.00 61.98 60.21 3h1j s VAL 195 Cb -0.17 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.20 3h1j s VAL 195 CO 0.06 -0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.65