#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n3t n SER 2 N 0.00 0.00 0.00 3.54 2.88 -1.26 -5.16 113.62 113.63 1n3t n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1n3t n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1n3t n SER 2 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1n3t n LEU 3 N -0.32 0.00 -4.35 2.46 4.77 -1.26 -4.94 117.00 113.36 1n3t n LEU 3 Ca 0.00 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.80 1n3t n LEU 3 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 1n3t n LEU 3 CO 0.00 0.00 -0.37 -0.94 -1.33 0.00 0.00 177.39 174.75 1n3t s SER 4 N 1.00 2.20 0.08 -1.43 1.04 -1.26 -5.07 113.70 110.26 1n3t s SER 4 Ca 0.00 -1.15 -0.19 0.00 0.48 0.00 0.00 55.95 55.09 1n3t s SER 4 Cb 0.00 -0.07 -0.09 0.00 0.10 0.00 0.00 66.02 65.97 1n3t s SER 4 CO 0.00 -0.39 1.53 0.11 0.98 0.00 0.00 173.24 175.48 1n3t h LYS 5 N 2.47 0.40 0.53 4.02 1.57 -2.01 -2.94 116.57 120.61 1n3t h LYS 5 Ca -0.38 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.25 1n3t h LYS 5 Cb 1.22 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 33.49 1n3t h LYS 5 CO 0.65 0.56 -0.25 0.93 -0.57 0.00 0.00 179.45 180.77 1n3t h GLU 6 N 0.19 -0.69 -0.70 3.15 3.07 -1.98 -2.71 114.58 114.92 1n3t h GLU 6 Ca 0.07 0.05 0.15 0.00 -0.50 0.00 0.00 59.36 59.13 1n3t h GLU 6 Cb 0.37 0.16 -0.13 0.00 -0.84 0.00 0.00 28.75 28.30 1n3t h GLU 6 CO 0.01 -0.38 -0.13 0.00 -1.40 0.00 0.00 179.01 177.11 1n3t n ALA 7 N -2.60 0.22 0.25 3.43 0.00 -1.24 0.14 120.51 120.70 1n3t n ALA 7 Ca -0.11 0.76 -0.10 0.00 0.00 0.00 0.00 53.44 54.00 1n3t n ALA 7 Cb 0.32 -0.48 -0.05 0.00 0.00 0.00 0.00 19.45 19.24 1n3t n ALA 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n3t h ALA 8 N 1.39 -1.10 -0.96 0.00 0.00 -1.47 0.34 119.26 117.45 1n3t h ALA 8 Ca 0.36 -0.14 0.29 0.00 0.00 0.00 0.00 54.91 55.42 1n3t h ALA 8 Cb 0.60 0.24 -0.17 0.00 0.00 0.00 0.00 17.79 18.46 1n3t h ALA 8 CO -0.70 -1.05 0.19 -0.07 0.00 0.00 0.00 179.25 177.62 1n3t h LEU 9 N -0.67 -0.19 -0.08 0.00 3.38 -0.08 0.14 115.31 117.81 1n3t h LEU 9 Ca -0.06 0.25 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 1n3t h LEU 9 Cb 0.48 0.39 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 1n3t h LEU 9 CO 0.11 -0.32 -0.01 0.58 0.09 0.00 0.00 178.44 178.88 1n3t h VAL 10 N 0.06 1.28 0.22 1.22 2.07 -0.09 -2.03 116.25 118.98 1n3t h VAL 10 Ca 0.64 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1n3t h VAL 10 Cb 1.41 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 32.89 1n3t h VAL 10 CO -0.82 0.25 -0.19 -0.74 0.02 0.00 0.00 177.57 176.09 1n3t h HIS 11 N -0.16 -0.52 -0.70 1.57 -0.00 0.23 -1.95 115.15 113.63 1n3t h HIS 11 Ca 0.02 0.00 0.14 0.00 -0.00 0.00 0.00 60.37 60.53 1n3t h HIS 11 Cb 0.40 0.20 -0.13 0.00 -0.00 0.00 0.00 27.41 27.87 1n3t h HIS 11 CO 0.05 -0.26 -0.17 0.93 -0.00 0.00 0.00 177.93 178.48 1n3t h GLU 12 N -0.40 0.00 -0.95 5.26 5.08 -1.28 0.27 114.58 122.56 1n3t h GLU 12 Ca -0.03 -0.00 0.20 0.00 -1.00 0.00 0.00 59.36 58.53 1n3t h GLU 12 Cb 0.34 -0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.48 1n3t h GLU 12 CO -0.01 0.00 0.54 0.00 -1.00 0.00 0.00 179.01 178.54 1n3t h ALA 13 N 1.70 1.58 -0.00 3.43 0.00 -1.22 0.87 119.26 125.61 1n3t h ALA 13 Ca 0.34 0.10 -0.23 0.00 0.00 0.00 0.00 54.91 55.12 1n3t h ALA 13 Cb 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1n3t h ALA 13 CO -0.72 -0.15 -0.94 -0.07 0.00 0.00 0.00 179.25 177.37 1n3t h LEU 14 N 0.64 0.56 -0.84 0.00 3.38 0.25 -3.20 115.31 116.09 1n3t h LEU 14 Ca 0.57 -0.45 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 1n3t h LEU 14 Cb 0.94 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 1n3t h LEU 14 CO -0.42 1.24 -0.11 0.58 0.09 0.00 0.00 178.44 179.82 1n3t h VAL 15 N 0.25 1.25 0.18 1.22 2.07 0.11 -0.14 116.25 121.19 1n3t h VAL 15 Ca -0.08 -1.15 -0.01 0.00 0.82 0.00 0.00 66.70 66.28 1n3t h VAL 15 Cb 1.57 1.06 -0.00 0.00 -1.52 0.00 0.00 31.29 32.40 1n3t h VAL 15 CO 0.16 0.39 -0.10 0.00 0.02 0.00 0.00 177.57 178.05 1n3t h ALA 16 N 1.20 -0.26 0.00 1.67 0.00 -1.01 -1.97 119.26 118.90 1n3t h ALA 16 Ca 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1n3t h ALA 16 Cb 0.58 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1n3t h ALA 16 CO 0.04 -0.65 0.00 -2.13 0.00 0.00 0.00 179.25 176.51 1n3t n ARG 17 N -5.21 0.35 -2.63 0.00 0.63 -1.15 -4.91 116.66 103.74 1n3t n ARG 17 Ca -0.09 0.04 -0.13 0.00 -0.92 0.00 0.00 57.85 56.76 1n3t n ARG 17 Cb 0.14 -1.50 0.02 0.00 0.45 0.00 0.00 32.46 31.56 1n3t n ARG 17 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1n3t n GLY 18 N 0.90 -0.05 1.07 5.14 0.00 -0.22 -4.92 105.19 107.10 1n3t n GLY 18 Ca 0.12 -0.26 0.11 0.00 0.00 0.00 0.00 46.02 45.99 1n3t n GLY 18 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n3t n LEU 19 N -2.37 3.28 -4.75 0.99 4.77 -0.29 -4.94 117.00 113.70 1n3t n LEU 19 Ca -0.08 -1.37 -0.41 0.00 -0.03 0.00 0.00 56.01 54.11 1n3t n LEU 19 Cb 0.58 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.46 1n3t n LEU 19 CO 0.26 0.67 0.95 -1.61 -1.33 0.00 0.00 177.39 176.34 1n3t s GLU 20 N -1.57 4.42 -0.02 3.23 0.41 -1.23 -4.85 118.70 119.09 1n3t s GLU 20 Ca 0.35 2.04 -0.34 0.00 -0.41 0.00 0.00 54.97 56.60 1n3t s GLU 20 Cb 0.21 -3.18 -0.12 0.00 -1.78 0.00 0.00 34.13 29.26 1n3t s GLU 20 CO 0.30 -0.18 1.78 2.41 -0.49 0.00 0.00 175.26 179.09 1n3t n THR 21 N 2.14 0.40 -1.48 3.63 -1.04 -1.26 -4.75 114.28 111.91 1n3t n THR 21 Ca 0.04 -0.07 -0.42 0.00 -2.04 0.00 0.00 64.05 61.56 1n3t n THR 21 Cb 0.43 -1.75 -0.12 0.00 -1.82 0.00 0.00 70.33 67.07 1n3t n THR 21 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1n3t n PRO 22 N 5.62 0.23 -4.38 -2.82 -0.02 -1.26 -4.92 135.00 127.46 1n3t n PRO 22 Ca 0.21 0.01 -0.25 0.00 -2.02 0.00 0.00 63.50 61.45 1n3t n PRO 22 Cb 0.29 -1.88 -0.12 0.00 -0.02 0.00 0.00 33.50 31.77 1n3t n PRO 22 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1n3t s LEU 23 N 9.21 2.42 -0.11 2.45 1.02 -1.26 -5.15 118.68 127.26 1n3t s LEU 23 Ca 1.27 -0.84 -0.04 0.00 0.02 0.00 0.00 54.13 54.53 1n3t s LEU 23 Cb -1.08 -1.03 -0.04 0.00 0.02 0.00 0.00 46.19 44.07 1n3t s LEU 23 CO 0.47 0.06 0.06 -0.60 0.02 0.00 0.00 176.35 176.36 1n3t s ARG 24 N -2.61 3.25 -0.14 1.70 3.52 -1.26 -5.04 118.95 118.36 1n3t s ARG 24 Ca 0.17 -0.29 -0.41 0.00 -0.13 0.00 0.00 55.73 55.07 1n3t s ARG 24 Cb -0.07 -2.98 -0.19 0.00 -1.56 0.00 0.00 34.95 30.15 1n3t s ARG 24 CO 0.08 0.70 1.35 -2.30 -0.81 0.00 0.00 175.30 174.32 1n3t n PRO 25 N 2.20 0.41 -0.30 5.12 -0.02 -1.26 -4.81 135.00 136.35 1n3t n PRO 25 Ca -0.19 0.15 0.17 0.00 -2.02 0.00 0.00 63.50 61.61 1n3t n PRO 25 Cb 0.54 -1.71 0.43 0.00 -0.02 0.00 0.00 33.50 32.74 1n3t n PRO 25 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1n3t h PRO 26 N 4.42 0.55 0.00 0.52 0.11 -2.06 -3.46 132.00 132.09 1n3t h PRO 26 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1n3t h PRO 26 Cb 1.38 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1n3t h PRO 26 CO 0.80 0.36 0.00 0.28 -0.21 0.00 0.00 178.00 179.24 1n3t n VAL 27 N -4.61 0.00 -4.27 3.15 0.31 -1.26 -4.73 118.33 106.92 1n3t n VAL 27 Ca 0.21 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.28 1n3t n VAL 27 Cb 0.65 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.49 1n3t n VAL 27 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 1n3t s HIS 28 N 0.00 2.70 -1.15 3.52 -3.43 -1.26 -5.06 115.29 110.61 1n3t s HIS 28 Ca 0.00 -0.20 -0.08 0.00 -0.80 0.00 0.00 55.06 53.98 1n3t s HIS 28 Cb 0.00 -1.31 0.25 0.00 -1.43 0.00 0.00 32.58 30.09 1n3t s HIS 28 CO 0.00 0.52 1.42 0.39 -2.00 0.00 0.00 174.74 175.06 1n3t n GLU 29 N -0.04 3.85 -1.88 -0.38 1.02 -1.26 -5.02 120.64 116.93 1n3t n GLU 29 Ca -0.10 -4.25 -0.40 0.00 -0.02 0.00 0.00 57.16 52.39 1n3t n GLU 29 Cb 0.55 -2.68 0.01 0.00 -0.02 0.00 0.00 31.44 29.31 1n3t n GLU 29 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1n3t s MET 30 N -1.08 3.75 0.10 3.49 -2.45 -1.26 -4.87 119.30 116.98 1n3t s MET 30 Ca 0.34 2.32 -0.36 0.00 -1.25 0.00 0.00 55.69 56.75 1n3t s MET 30 Cb -0.01 -2.67 -0.17 0.00 1.25 0.00 0.00 34.83 33.24 1n3t s MET 30 CO 0.01 -0.73 1.31 -3.47 1.05 0.00 0.00 175.02 173.19 1n3t n ASP 31 N -0.13 1.56 -0.07 1.11 2.03 -1.26 -4.86 116.55 114.93 1n3t n ASP 31 Ca 0.05 1.12 0.02 0.00 0.52 0.00 0.00 54.79 56.50 1n3t n ASP 31 Cb 0.42 -1.19 0.34 0.00 -0.72 0.00 0.00 41.12 39.97 1n3t n ASP 31 CO 0.00 0.00 0.00 -1.13 -1.92 0.00 0.00 177.20 174.15 1n3t h ASN 32 N 4.33 0.60 0.79 1.67 -1.24 -2.01 -0.62 115.58 119.10 1n3t h ASN 32 Ca -0.47 -0.04 -0.10 0.00 0.71 0.00 0.00 56.30 56.40 1n3t h ASN 32 Cb 1.34 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 40.22 1n3t h ASN 32 CO 0.76 0.49 -0.49 -0.33 -1.29 0.00 0.00 177.43 176.58 1n3t h GLU 33 N 0.69 0.00 -0.66 6.67 5.08 -2.01 -3.06 114.58 121.29 1n3t h GLU 33 Ca 0.18 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.45 1n3t h GLU 33 Cb 0.02 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1n3t h GLU 33 CO -0.03 0.49 0.09 1.15 -1.00 0.00 0.00 179.01 179.70 1n3t h THR 34 N 0.00 1.26 -0.23 1.13 2.02 -1.47 -2.95 112.91 112.67 1n3t h THR 34 Ca -0.00 -1.07 -0.02 0.00 0.77 0.00 0.00 66.41 66.09 1n3t h THR 34 Cb 1.01 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 1n3t h THR 34 CO 0.06 0.40 0.09 0.03 0.37 0.00 0.00 175.52 176.47 1n3t h ARG 35 N 1.03 0.35 -0.95 6.66 3.08 -1.37 -2.94 114.38 120.24 1n3t h ARG 35 Ca 0.20 -0.07 0.04 0.00 0.07 0.00 0.00 59.98 60.22 1n3t h ARG 35 Cb 0.47 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.41 1n3t h ARG 35 CO 0.02 0.42 0.62 0.87 -1.07 0.00 0.00 179.97 180.82 1n3t h LYS 36 N 0.22 1.14 -0.09 0.04 1.57 -1.53 0.33 116.57 118.25 1n3t h LYS 36 Ca 0.08 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 1n3t h LYS 36 Cb 0.20 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1n3t h LYS 36 CO -0.00 0.76 -0.21 0.66 -0.57 0.00 0.00 179.45 180.08 1n3t h SER 37 N 1.18 0.15 0.14 0.86 4.64 -1.38 0.26 113.55 119.39 1n3t h SER 37 Ca 0.38 -0.04 -0.20 0.00 -0.47 0.00 0.00 61.79 61.47 1n3t h SER 37 Cb 0.04 -0.04 0.02 0.00 -0.31 0.00 0.00 62.40 62.11 1n3t h SER 37 CO -0.12 0.37 -0.89 -0.07 -0.87 0.00 0.00 176.83 175.24 1n3t h LEU 38 N 0.14 0.47 -0.60 5.97 3.38 -1.19 -2.79 115.31 120.69 1n3t h LEU 38 Ca 0.03 -0.94 -0.04 0.00 0.09 0.00 0.00 57.88 57.02 1n3t h LEU 38 Cb 0.46 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1n3t h LEU 38 CO 0.03 1.42 0.23 0.40 0.09 0.00 0.00 178.44 180.62 1n3t h ILE 39 N -0.36 1.23 0.00 1.22 2.04 -0.82 -0.42 117.51 120.41 1n3t h ILE 39 Ca -0.16 -0.73 -0.01 0.00 1.00 0.00 0.00 64.86 64.96 1n3t h ILE 39 Cb 1.67 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 38.33 1n3t h ILE 39 CO 0.14 0.28 -0.03 0.00 0.00 0.00 0.00 178.15 178.55 1n3t h ALA 40 N 1.08 1.88 0.21 1.87 0.00 -0.58 -1.92 119.26 121.80 1n3t h ALA 40 Ca 0.20 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1n3t h ALA 40 Cb 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1n3t h ALA 40 CO -0.01 0.04 -0.10 0.78 0.00 0.00 0.00 179.25 179.96 1n3t h GLY 41 N 0.11 -0.29 -0.87 0.00 0.00 -0.83 -2.32 103.07 98.87 1n3t h GLY 41 Ca -0.00 0.11 0.39 0.00 0.00 0.00 0.00 47.33 47.83 1n3t h GLY 41 CO 0.00 -0.11 0.70 0.45 0.00 0.00 0.00 176.54 177.59 1n3t h HIS 42 N -0.44 0.70 -0.33 5.60 -0.00 -1.06 0.68 115.15 120.30 1n3t h HIS 42 Ca -0.03 0.03 -0.09 0.00 -0.00 0.00 0.00 60.37 60.28 1n3t h HIS 42 Cb 0.21 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 27.44 1n3t h HIS 42 CO 0.08 -0.23 -0.15 0.52 -0.00 0.00 0.00 177.93 178.15 1n3t h MET 43 N 0.15 0.69 -0.64 2.45 2.86 -1.37 -1.18 114.93 117.89 1n3t h MET 43 Ca 0.79 -0.30 0.12 0.00 -2.06 0.00 0.00 59.70 58.25 1n3t h MET 43 Cb 2.20 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 33.80 1n3t h MET 43 CO -0.53 0.89 0.43 1.15 1.06 0.00 0.00 176.91 179.91 1n3t h THR 44 N 0.46 0.84 -0.03 2.22 2.02 0.92 0.23 112.91 119.57 1n3t h THR 44 Ca 0.07 -0.12 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 1n3t h THR 44 Cb 0.68 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 1n3t h THR 44 CO 0.05 0.07 -0.06 -0.33 0.37 0.00 0.00 175.52 175.61 1n3t h GLU 45 N 0.36 0.10 -0.33 6.66 4.39 -0.83 -2.90 114.58 122.03 1n3t h GLU 45 Ca 0.30 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.94 1n3t h GLU 45 Cb 0.70 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.34 1n3t h GLU 45 CO -0.08 0.63 0.19 0.82 -1.16 0.00 0.00 179.01 179.41 1n3t h ILE 46 N -0.43 1.10 0.00 3.13 2.04 0.01 0.10 117.51 123.47 1n3t h ILE 46 Ca 0.00 -0.24 -0.09 0.00 1.00 0.00 0.00 64.86 65.54 1n3t h ILE 46 Cb 0.63 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 1n3t h ILE 46 CO 0.01 0.11 -0.41 0.24 0.00 0.00 0.00 178.15 178.10 1n3t h MET 47 N 0.45 0.00 0.00 2.37 2.86 -1.02 -2.67 114.93 116.93 1n3t h MET 47 Ca 0.12 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.55 1n3t h MET 47 Cb -0.00 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 1n3t h MET 47 CO -0.02 0.41 -1.06 1.96 1.06 0.00 0.00 176.91 179.26 1n3t h GLN 48 N 0.00 0.00 0.00 1.72 4.20 -0.98 -0.93 115.11 119.12 1n3t h GLN 48 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1n3t h GLN 48 Cb 0.96 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.74 1n3t h GLN 48 CO 0.05 0.82 0.00 1.28 -0.67 0.00 0.00 178.83 180.31 1n3t n LEU 49 N -3.26 0.00 0.00 1.46 4.77 0.23 -1.80 117.00 118.40 1n3t n LEU 49 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1n3t n LEU 49 Cb 0.92 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.01 1n3t n LEU 49 CO 0.46 0.00 0.35 0.18 -1.33 0.00 0.00 177.39 177.05 1n3t n LEU 50 N -0.83 1.39 -1.43 2.23 4.77 -1.07 -5.00 117.00 117.06 1n3t n LEU 50 Ca 0.13 -1.39 -0.14 0.00 -0.03 0.00 0.00 56.01 54.58 1n3t n LEU 50 Cb 0.06 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.13 1n3t n LEU 50 CO 0.09 0.35 -0.16 0.59 -1.33 0.00 0.00 177.39 176.93 1n3t n ASN 51 N -0.22 -4.30 -4.71 -1.43 3.02 -0.74 -4.99 115.26 101.88 1n3t n ASN 51 Ca 0.00 0.07 -0.40 0.00 -0.03 0.00 0.00 54.58 54.22 1n3t n ASN 51 Cb 0.13 -3.37 -0.04 0.00 -0.61 0.00 0.00 39.78 35.89 1n3t n ASN 51 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1n3t s LEU 52 N -3.71 4.32 -0.94 3.41 1.43 -0.38 -4.96 118.68 117.86 1n3t s LEU 52 Ca 0.00 1.31 -0.24 0.00 -1.03 0.00 0.00 54.13 54.17 1n3t s LEU 52 Cb 0.00 -3.22 -0.05 0.00 0.03 0.00 0.00 46.19 42.96 1n3t s LEU 52 CO 0.00 -0.17 1.92 -0.62 0.23 0.00 0.00 176.35 177.72 1n3t s ASP 53 N 0.87 5.19 0.00 2.29 2.15 -1.26 -4.61 116.67 121.31 1n3t s ASP 53 Ca 0.41 -0.81 0.07 0.00 0.43 0.00 0.00 52.55 52.66 1n3t s ASP 53 Cb -0.18 -2.56 0.43 0.00 -0.30 0.00 0.00 42.92 40.30 1n3t s ASP 53 CO 0.20 -2.72 0.84 0.18 -0.17 0.00 0.00 175.17 173.51 1n3t n LEU 54 N 13.79 0.00 0.08 -1.34 4.77 -1.26 -1.07 117.00 131.96 1n3t n LEU 54 Ca 0.40 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 56.31 1n3t n LEU 54 Cb 0.47 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.50 1n3t n LEU 54 CO 0.61 0.00 0.19 0.00 -1.33 0.00 0.00 177.39 176.85 1n3t h ALA 55 N 2.36 0.44 -1.92 -1.18 0.00 -1.96 -3.38 119.26 113.62 1n3t h ALA 55 Ca 0.00 -0.83 -0.62 0.00 0.00 0.00 0.00 54.91 53.46 1n3t h ALA 55 Cb 0.00 -0.12 0.10 0.00 0.00 0.00 0.00 17.79 17.77 1n3t h ALA 55 CO 0.00 1.10 0.17 -3.47 0.00 0.00 0.00 179.25 177.05 1n3t n ASP 56 N -3.48 1.33 0.14 0.00 2.03 -0.24 -4.87 116.55 111.46 1n3t n ASP 56 Ca -0.02 1.17 0.03 0.00 0.52 0.00 0.00 54.79 56.49 1n3t n ASP 56 Cb 0.88 -1.27 0.39 0.00 -0.72 0.00 0.00 41.12 40.41 1n3t n ASP 56 CO 0.00 0.00 0.00 -2.24 -1.92 0.00 0.00 177.20 173.04 1n3t h ASP 57 N 2.39 0.16 0.05 1.67 2.03 -1.89 -2.58 116.42 118.25 1n3t h ASP 57 Ca -0.40 -0.04 -0.07 0.00 -0.73 0.00 0.00 57.03 55.79 1n3t h ASP 57 Cb 1.34 -0.04 0.01 0.00 -0.83 0.00 0.00 39.33 39.81 1n3t h ASP 57 CO 0.63 0.36 -0.30 -1.28 -1.03 0.00 0.00 179.24 177.63 1n3t h SER 58 N 0.16 0.18 0.46 4.15 0.87 -1.96 -3.33 113.55 114.08 1n3t h SER 58 Ca 0.03 -0.95 -0.03 0.00 -1.23 0.00 0.00 61.79 59.61 1n3t h SER 58 Cb 0.43 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.32 1n3t h SER 58 CO 0.03 1.12 -0.14 -0.07 -0.53 0.00 0.00 176.83 177.23 1n3t h LEU 59 N -0.73 0.00 -0.81 2.23 3.38 -1.88 -3.09 115.31 114.40 1n3t h LEU 59 Ca -0.05 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.03 1n3t h LEU 59 Cb 1.21 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.88 1n3t h LEU 59 CO 0.06 0.14 0.44 -0.03 0.09 0.00 0.00 178.44 179.14 1n3t h MET 60 N 0.00 0.68 0.00 1.13 4.05 -1.57 -2.76 114.93 116.46 1n3t h MET 60 Ca -0.00 -0.04 -0.13 0.00 -0.28 0.00 0.00 59.70 59.25 1n3t h MET 60 Cb 0.41 -0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 31.04 1n3t h MET 60 CO 0.02 0.45 -0.63 0.93 0.23 0.00 0.00 176.91 177.90 1n3t h GLU 61 N 0.70 0.00 -0.91 0.39 4.39 -1.72 -3.39 114.58 114.04 1n3t h GLU 61 Ca 0.41 0.00 0.12 0.00 0.34 0.00 0.00 59.36 60.23 1n3t h GLU 61 Cb 0.47 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 28.98 1n3t h GLU 61 CO -0.29 0.59 -0.42 2.41 -1.16 0.00 0.00 179.01 180.14 1n3t n THR 62 N -3.24 -0.53 -0.19 1.13 -1.04 -1.04 -1.26 114.28 108.11 1n3t n THR 62 Ca 0.01 2.16 -0.02 0.00 -2.04 0.00 0.00 64.05 64.16 1n3t n THR 62 Cb 0.78 -2.79 0.05 0.00 -1.82 0.00 0.00 70.33 66.55 1n3t n THR 62 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1n3t h PRO 63 N 0.00 -0.03 -0.55 -2.82 0.11 -1.76 0.28 132.00 127.23 1n3t h PRO 63 Ca 0.26 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.41 1n3t h PRO 63 Cb 0.49 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.56 1n3t h PRO 63 CO -0.89 -0.02 0.30 1.25 -0.21 0.00 0.00 178.00 178.43 1n3t h HIS 64 N -0.04 0.55 0.22 0.65 -0.00 -1.46 -1.71 115.15 113.37 1n3t h HIS 64 Ca 0.27 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.66 1n3t h HIS 64 Cb 0.46 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 27.69 1n3t h HIS 64 CO -0.51 0.28 -0.14 0.00 -0.00 0.00 0.00 177.93 177.56 1n3t h ARG 65 N 0.58 -0.35 -0.60 5.26 3.08 0.18 0.14 114.38 122.66 1n3t h ARG 65 Ca 0.24 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.37 1n3t h ARG 65 Cb 0.12 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.22 1n3t h ARG 65 CO -0.15 -0.23 0.40 0.82 -1.07 0.00 0.00 179.97 179.74 1n3t h ILE 66 N -0.36 1.01 0.21 2.04 2.04 -0.54 0.98 117.51 122.90 1n3t h ILE 66 Ca -0.02 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 1n3t h ILE 66 Cb 0.30 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 1n3t h ILE 66 CO 0.01 0.11 -0.10 0.00 0.00 0.00 0.00 178.15 178.17 1n3t h ALA 67 N 1.67 -0.29 -0.96 1.87 0.00 -0.94 -2.05 119.26 118.56 1n3t h ALA 67 Ca 0.26 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1n3t h ALA 67 Cb 0.24 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1n3t h ALA 67 CO -0.08 -0.47 0.64 -0.22 0.00 0.00 0.00 179.25 179.13 1n3t h LYS 68 N -0.67 1.25 -0.32 0.00 3.11 -0.23 -0.73 116.57 118.98 1n3t h LYS 68 Ca -0.03 -0.08 -0.11 0.00 -2.81 0.00 0.00 60.65 57.63 1n3t h LYS 68 Cb 0.48 -0.28 -0.01 0.00 -1.00 0.00 0.00 32.23 31.41 1n3t h LYS 68 CO 0.05 0.83 -0.25 1.98 -2.81 0.00 0.00 179.45 179.25 1n3t h MET 69 N 1.29 0.64 -0.00 1.90 4.05 -0.81 0.93 114.93 122.92 1n3t h MET 69 Ca 0.36 -0.26 -0.00 0.00 -0.28 0.00 0.00 59.70 59.52 1n3t h MET 69 Cb -0.12 -0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 30.65 1n3t h MET 69 CO -0.08 0.83 -0.00 1.88 0.23 0.00 0.00 176.91 179.77 1n3t h TYR 70 N 0.56 0.01 0.11 1.39 -1.99 -0.93 -1.02 116.97 115.10 1n3t h TYR 70 Ca 0.08 -0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.80 1n3t h TYR 70 Cb 0.72 -0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.45 1n3t h TYR 70 CO 0.03 0.56 -0.05 0.28 -0.00 0.00 0.00 178.16 178.97 1n3t h VAL 71 N -0.54 1.09 0.00 -2.88 2.07 -1.13 -3.33 116.25 111.53 1n3t h VAL 71 Ca 0.00 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.42 1n3t h VAL 71 Cb 0.55 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 1n3t h VAL 71 CO 0.00 0.25 -1.73 0.47 0.02 0.00 0.00 177.57 176.58 1n3t n ASP 72 N -4.92 0.23 0.00 0.57 8.00 0.31 -4.66 116.55 116.09 1n3t n ASP 72 Ca -0.08 -0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.32 1n3t n ASP 72 Cb 0.27 1.67 0.00 0.00 -0.02 0.00 0.00 41.12 43.04 1n3t n ASP 72 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1n3t n GLU 73 N -2.19 0.00 0.10 -1.24 1.02 -0.97 -4.59 120.64 112.77 1n3t n GLU 73 Ca -0.02 0.00 0.20 0.00 -0.02 0.00 0.00 57.16 57.32 1n3t n GLU 73 Cb 0.53 0.00 0.69 0.00 -0.02 0.00 0.00 31.44 32.64 1n3t n GLU 73 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 1n3t h ILE 74 N 0.00 0.24 -0.24 -3.67 3.07 -1.47 0.57 117.51 116.01 1n3t h ILE 74 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1n3t h ILE 74 Cb 0.00 0.54 0.00 0.00 -0.27 0.00 0.00 36.82 37.09 1n3t h ILE 74 CO 0.00 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 177.59 1n3t n PHE 75 N -3.46 0.79 0.20 0.16 3.72 -1.25 -3.25 117.46 114.36 1n3t n PHE 75 Ca 0.08 -0.84 0.13 0.00 -0.05 0.00 0.00 57.45 56.77 1n3t n PHE 75 Cb 0.72 -0.26 0.70 0.00 -0.94 0.00 0.00 39.48 39.70 1n3t n PHE 75 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1n3t h SER 76 N 1.65 0.00 0.30 4.37 4.64 -0.86 -0.59 113.55 123.05 1n3t h SER 76 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1n3t h SER 76 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1n3t h SER 76 CO 0.17 0.00 -0.02 0.61 -0.87 0.00 0.00 176.83 176.72 1n3t n GLY 77 N -1.26 -1.06 0.15 -0.77 0.00 0.14 -3.35 105.19 99.05 1n3t n GLY 77 Ca -0.02 -0.20 0.13 0.00 0.00 0.00 0.00 46.02 45.93 1n3t n GLY 77 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1n3t h LEU 78 N 0.22 0.00 -8.06 0.99 3.38 -1.15 -3.43 115.31 107.26 1n3t h LEU 78 Ca 0.00 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.30 1n3t h LEU 78 Cb 0.21 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 40.62 1n3t h LEU 78 CO 0.00 0.00 -0.75 -0.62 0.09 0.00 0.00 178.44 177.16 1n3t s ASP 79 N -5.03 4.41 0.00 -0.43 2.15 -1.21 -4.99 116.67 111.57 1n3t s ASP 79 Ca 0.09 -1.06 0.01 0.00 0.43 0.00 0.00 52.55 52.01 1n3t s ASP 79 Cb 0.10 -1.64 0.04 0.00 -0.30 0.00 0.00 42.92 41.11 1n3t s ASP 79 CO 0.59 -0.17 0.28 -1.22 -0.17 0.00 0.00 175.17 174.49 1n3t n TYR 80 N 4.61 0.00 1.49 -5.34 4.02 -1.26 -1.23 117.16 119.44 1n3t n TYR 80 Ca -0.15 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 57.88 1n3t n TYR 80 Cb 0.45 0.00 0.59 0.00 -0.02 0.00 0.00 39.34 40.36 1n3t n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1n3t n ALA 81 N -0.54 2.76 0.53 -0.72 0.00 -1.26 -3.34 120.51 117.93 1n3t n ALA 81 Ca 0.00 -0.34 0.06 0.00 0.00 0.00 0.00 53.44 53.16 1n3t n ALA 81 Cb 0.00 -1.27 0.02 0.00 0.00 0.00 0.00 19.45 18.20 1n3t n ALA 81 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1n3t n ASN 82 N -0.55 1.59 -4.67 0.00 3.02 -0.36 -5.02 115.26 109.27 1n3t n ASN 82 Ca 0.17 -1.29 -0.44 0.00 -0.03 0.00 0.00 54.58 52.99 1n3t n ASN 82 Cb 0.29 0.31 -0.02 0.00 -0.61 0.00 0.00 39.78 39.76 1n3t n ASN 82 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1n3t n PHE 83 N 0.10 2.05 -1.48 3.10 7.35 -1.21 -4.90 117.46 122.47 1n3t n PHE 83 Ca 0.06 0.54 -0.34 0.00 -0.76 0.00 0.00 57.45 56.95 1n3t n PHE 83 Cb 0.27 -2.40 0.09 0.00 0.35 0.00 0.00 39.48 37.79 1n3t n PHE 83 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1n3t s PRO 84 N -1.30 2.22 -0.58 -7.13 0.04 -1.26 -4.92 135.00 122.08 1n3t s PRO 84 Ca 0.61 1.74 -0.28 0.00 0.04 0.00 0.00 61.00 63.10 1n3t s PRO 84 Cb -0.62 -1.85 0.03 0.00 0.04 0.00 0.00 34.50 32.10 1n3t s PRO 84 CO 0.57 -1.77 1.20 0.15 0.04 0.00 0.00 177.00 177.20 1n3t s LYS 85 N -3.89 3.51 0.29 4.56 1.02 -1.26 -4.94 119.74 119.03 1n3t s LYS 85 Ca 0.74 0.27 -0.23 0.00 0.02 0.00 0.00 55.97 56.77 1n3t s LYS 85 Cb -0.29 -4.02 -0.09 0.00 -0.52 0.00 0.00 37.83 32.92 1n3t s LYS 85 CO 0.44 -1.68 0.85 0.42 -0.92 0.00 0.00 175.35 174.46 1n3t s ILE 86 N 4.99 4.37 -0.10 2.17 1.01 -1.26 -5.00 121.20 127.38 1n3t s ILE 86 Ca 0.44 1.57 -0.04 0.00 0.00 0.00 0.00 60.65 62.62 1n3t s ILE 86 Cb -0.08 -3.92 0.05 0.00 0.01 0.00 0.00 42.46 38.53 1n3t s ILE 86 CO 0.26 0.14 0.18 0.42 0.00 0.00 0.00 174.94 175.93 1n3t s THR 87 N -1.62 -0.29 0.18 2.92 -4.23 -1.26 -5.11 115.64 106.23 1n3t s THR 87 Ca 0.48 0.31 0.09 0.00 -1.18 0.00 0.00 61.69 61.40 1n3t s THR 87 Cb -0.17 -0.34 -0.04 0.00 1.34 0.00 0.00 72.50 73.28 1n3t s THR 87 CO 0.22 0.12 -0.11 -0.76 -0.54 0.00 0.00 174.62 173.55 1n3t s LEU 88 N 2.32 2.91 0.08 4.79 1.43 -1.26 -2.56 118.68 126.38 1n3t s LEU 88 Ca 0.03 -0.60 0.10 0.00 -1.03 0.00 0.00 54.13 52.62 1n3t s LEU 88 Cb -0.12 -1.61 -0.03 0.00 0.03 0.00 0.00 46.19 44.46 1n3t s LEU 88 CO -0.07 0.11 -0.26 -0.63 0.23 0.00 0.00 176.35 175.73 1n3t s ILE 89 N -1.67 2.17 0.42 -0.59 1.01 -0.85 -4.94 121.20 116.74 1n3t s ILE 89 Ca 0.24 -1.53 -0.25 0.00 0.00 0.00 0.00 60.65 59.11 1n3t s ILE 89 Cb -0.09 -1.88 -0.10 0.00 0.01 0.00 0.00 42.46 40.40 1n3t s ILE 89 CO 0.14 0.25 1.16 1.21 0.00 0.00 0.00 174.94 177.71 1n3t n GLU 90 N 1.44 1.67 -2.15 2.79 2.13 -1.26 -0.73 120.64 124.53 1n3t n GLU 90 Ca -0.17 0.60 -0.41 0.00 0.66 0.00 0.00 57.16 57.83 1n3t n GLU 90 Cb 0.52 -2.24 -0.00 0.00 0.27 0.00 0.00 31.44 29.99 1n3t n GLU 90 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1n3t n ASN 91 N 0.30 6.32 0.16 4.31 5.15 -0.56 -4.64 115.26 126.31 1n3t n ASN 91 Ca 0.08 -3.10 0.02 0.00 -0.60 0.00 0.00 54.58 50.98 1n3t n ASN 91 Cb 0.39 -1.44 0.23 0.00 -0.53 0.00 0.00 39.78 38.44 1n3t n ASN 91 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1n3t h LYS 92 N 5.28 0.00 0.00 1.20 1.57 -1.89 -2.89 116.57 119.84 1n3t h LYS 92 Ca 0.53 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.31 1n3t h LYS 92 Cb 0.49 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 1n3t h LYS 92 CO 1.59 0.52 -0.01 0.52 -0.57 0.00 0.00 179.45 181.50 1n3t h MET 93 N 0.00 0.00 -4.61 3.15 2.86 -2.01 -3.47 114.93 110.84 1n3t h MET 93 Ca -0.01 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.52 1n3t h MET 93 Cb 1.03 0.00 0.09 0.00 0.06 0.00 0.00 31.60 32.78 1n3t h MET 93 CO 0.07 0.01 -0.40 1.63 1.06 0.00 0.00 176.91 179.28 1n3t n LYS 94 N -3.10 -1.31 -2.68 1.72 4.01 -1.09 -4.95 118.16 110.75 1n3t n LYS 94 Ca 0.01 0.76 -0.43 0.00 -0.51 0.00 0.00 58.31 58.14 1n3t n LYS 94 Cb 0.35 -4.37 -0.03 0.00 -0.51 0.00 0.00 35.03 30.47 1n3t n LYS 94 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1n3t s VAL 95 N -3.18 4.41 -0.70 -0.18 1.01 -1.26 -4.87 120.40 115.64 1n3t s VAL 95 Ca 0.21 1.33 0.15 0.00 0.00 0.00 0.00 61.98 63.67 1n3t s VAL 95 Cb -0.03 -4.47 0.48 0.00 0.00 0.00 0.00 36.38 32.37 1n3t s VAL 95 CO 0.49 -0.72 1.40 -0.90 0.00 0.00 0.00 175.10 175.38 1n3t n ASP 96 N 7.23 3.71 -4.69 3.32 5.75 -1.26 -4.29 116.55 126.32 1n3t n ASP 96 Ca 0.10 -2.47 -0.24 0.00 -0.01 0.00 0.00 54.79 52.17 1n3t n ASP 96 Cb 0.48 -0.43 -0.08 0.00 -1.03 0.00 0.00 41.12 40.07 1n3t n ASP 96 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1n3t s GLU 97 N -1.86 2.21 0.51 0.11 0.41 -1.26 -4.99 118.70 113.82 1n3t s GLU 97 Ca 0.37 -1.70 -0.18 0.00 -0.41 0.00 0.00 54.97 53.04 1n3t s GLU 97 Cb 0.25 -2.02 -0.08 0.00 -1.78 0.00 0.00 34.13 30.50 1n3t s GLU 97 CO 0.15 0.08 1.00 0.00 -0.49 0.00 0.00 175.26 176.00 1n3t s MET 98 N -3.80 3.85 -0.11 1.61 0.23 -1.26 -4.38 119.30 115.45 1n3t s MET 98 Ca 0.37 1.12 0.01 0.00 -1.03 0.00 0.00 55.69 56.16 1n3t s MET 98 Cb -0.00 -2.12 -0.02 0.00 -1.53 0.00 0.00 34.83 31.17 1n3t s MET 98 CO 0.21 -0.36 -0.15 0.08 -2.03 0.00 0.00 175.02 172.77 1n3t s VAL 99 N -2.37 2.93 -0.10 5.16 1.01 -0.32 -4.98 120.40 121.73 1n3t s VAL 99 Ca 0.62 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.88 1n3t s VAL 99 Cb -0.12 -2.20 0.02 0.00 0.00 0.00 0.00 36.38 34.08 1n3t s VAL 99 CO 0.26 0.54 -0.09 -0.89 0.00 0.00 0.00 175.10 174.92 1n3t s THR 100 N 0.14 1.05 -0.23 3.92 2.01 -1.26 -2.78 115.64 118.50 1n3t s THR 100 Ca -0.07 -0.34 -0.08 0.00 0.31 0.00 0.00 61.69 61.50 1n3t s THR 100 Cb -0.15 -1.04 -0.04 0.00 0.01 0.00 0.00 72.50 71.28 1n3t s THR 100 CO 0.05 0.36 0.09 -0.69 -0.69 0.00 0.00 174.62 173.74 1n3t s VAL 101 N 1.39 4.74 0.16 3.82 1.01 -0.19 -5.00 120.40 126.33 1n3t s VAL 101 Ca -0.01 -0.04 0.10 0.00 0.00 0.00 0.00 61.98 62.04 1n3t s VAL 101 Cb -0.13 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 1n3t s VAL 101 CO -0.05 0.37 -0.22 0.00 0.00 0.00 0.00 175.10 175.21 1n3t s ARG 102 N 1.08 1.60 -1.27 2.72 1.70 -1.26 -0.90 118.95 122.62 1n3t s ARG 102 Ca 0.05 -1.37 -0.08 0.00 -0.47 0.00 0.00 55.73 53.85 1n3t s ARG 102 Cb -0.14 -1.95 0.01 0.00 -0.57 0.00 0.00 34.95 32.29 1n3t s ARG 102 CO 0.04 0.44 1.11 -0.25 -1.08 0.00 0.00 175.30 175.55 1n3t n ASP 103 N 0.54 -6.09 -4.75 -2.89 8.00 -0.51 -4.96 116.55 105.89 1n3t n ASP 103 Ca -0.15 -0.51 -0.41 0.00 0.71 0.00 0.00 54.79 54.44 1n3t n ASP 103 Cb 0.54 -4.75 -0.03 0.00 -0.02 0.00 0.00 41.12 36.86 1n3t n ASP 103 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1n3t s ILE 104 N -3.30 3.22 -0.05 0.53 1.01 -0.16 -4.76 121.20 117.69 1n3t s ILE 104 Ca 0.55 1.10 -0.30 0.00 0.00 0.00 0.00 60.65 62.00 1n3t s ILE 104 Cb -0.24 -3.70 -0.05 0.00 0.01 0.00 0.00 42.46 38.48 1n3t s ILE 104 CO 0.68 0.21 1.47 -0.89 0.00 0.00 0.00 174.94 176.41 1n3t s THR 105 N -0.48 3.77 -0.18 2.92 2.01 -1.26 -1.70 115.64 120.72 1n3t s THR 105 Ca 0.51 1.04 0.01 0.00 0.31 0.00 0.00 61.69 63.56 1n3t s THR 105 Cb -0.36 -3.67 0.03 0.00 0.01 0.00 0.00 72.50 68.52 1n3t s THR 105 CO 0.42 -0.05 -0.15 -0.22 -0.69 0.00 0.00 174.62 173.93 1n3t s LEU 106 N 3.21 2.05 -0.09 4.42 0.20 -0.78 -4.77 118.68 122.93 1n3t s LEU 106 Ca 0.65 -0.68 0.02 0.00 0.69 0.00 0.00 54.13 54.81 1n3t s LEU 106 Cb -0.30 -1.30 -0.02 0.00 -0.43 0.00 0.00 46.19 44.14 1n3t s LEU 106 CO 0.25 -0.07 -0.13 0.42 -0.29 0.00 0.00 176.35 176.53 1n3t s THR 107 N 1.39 3.11 0.34 3.68 -4.23 -1.26 -2.66 115.64 116.00 1n3t s THR 107 Ca 0.03 -0.68 -0.11 0.00 -1.18 0.00 0.00 61.69 59.75 1n3t s THR 107 Cb -0.14 -2.26 0.04 0.00 1.34 0.00 0.00 72.50 71.48 1n3t s THR 107 CO -0.10 0.56 0.64 -0.24 -0.54 0.00 0.00 174.62 174.94 1n3t n SER 108 N 2.84 -1.86 -3.80 3.99 2.88 -1.01 -4.22 113.62 112.44 1n3t n SER 108 Ca -0.18 -2.46 -0.14 0.00 -1.33 0.00 0.00 58.87 54.76 1n3t n SER 108 Cb 0.52 3.15 -0.15 0.00 -0.75 0.00 0.00 64.21 66.98 1n3t n SER 108 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1n3t s THR 109 N -2.33 -0.04 0.00 2.46 2.01 -1.26 -0.86 115.64 115.63 1n3t s THR 109 Ca 0.16 0.14 -0.30 0.00 0.31 0.00 0.00 61.69 62.00 1n3t s THR 109 Cb -0.04 -0.09 -0.03 0.00 0.01 0.00 0.00 72.50 72.35 1n3t s THR 109 CO 0.12 0.06 1.01 0.00 -0.69 0.00 0.00 174.62 175.12 1n3t h GLU 111 N 6.81 0.00 0.00 0.00 4.11 -1.34 0.46 114.58 124.62 1n3t h GLU 111 Ca -0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.02 1n3t h GLU 111 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1n3t h GLU 111 CO 0.76 0.00 0.00 0.45 0.07 0.00 0.00 179.01 180.29 1n3t h HIS 112 N 0.00 0.00 0.00 2.06 3.86 -1.91 -3.39 115.15 115.77 1n3t h HIS 112 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1n3t h HIS 112 Cb 0.13 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.60 1n3t h HIS 112 CO 0.00 0.00 0.00 0.72 0.86 0.00 0.00 177.93 179.51 1n3t n HIS 113 N -2.84 0.00 -3.06 2.45 8.25 -0.99 -5.02 115.22 114.02 1n3t n HIS 113 Ca 0.04 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.37 1n3t n HIS 113 Cb 0.47 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.63 1n3t n HIS 113 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1n3t n PHE 114 N 0.00 -1.60 -4.98 4.41 3.01 0.16 -5.03 117.46 113.42 1n3t n PHE 114 Ca 0.00 0.60 -0.28 0.00 1.01 0.00 0.00 57.45 58.78 1n3t n PHE 114 Cb 0.00 -3.62 -0.15 0.00 -0.01 0.00 0.00 39.48 35.70 1n3t n PHE 114 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1n3t s VAL 115 N -3.20 1.79 0.08 -4.37 1.01 -1.24 -4.89 120.40 109.58 1n3t s VAL 115 Ca 0.22 -1.06 -0.21 0.00 0.00 0.00 0.00 61.98 60.93 1n3t s VAL 115 Cb -0.10 -1.51 -0.12 0.00 0.00 0.00 0.00 36.38 34.66 1n3t s VAL 115 CO 0.44 0.42 0.46 0.41 0.00 0.00 0.00 175.10 176.84 1n3t n THR 116 N 2.29 0.84 -3.74 3.92 -1.04 -1.26 -2.55 114.28 112.74 1n3t n THR 116 Ca -0.16 -0.21 -0.29 0.00 -2.04 0.00 0.00 64.05 61.35 1n3t n THR 116 Cb 0.52 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 68.88 1n3t n THR 116 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1n3t s ILE 117 N -0.42 0.79 -0.10 12.58 1.01 -0.04 -1.55 121.20 133.47 1n3t s ILE 117 Ca 0.48 -1.17 -0.16 0.00 0.00 0.00 0.00 60.65 59.80 1n3t s ILE 117 Cb -0.68 -1.50 -0.05 0.00 0.01 0.00 0.00 42.46 40.25 1n3t s ILE 117 CO 0.37 -0.54 0.41 -0.62 0.00 0.00 0.00 174.94 174.55 1n3t s ASP 118 N 1.68 6.64 0.18 3.58 2.15 -0.38 -2.40 116.67 128.13 1n3t s ASP 118 Ca 0.06 0.76 -0.23 0.00 0.43 0.00 0.00 52.55 53.58 1n3t s ASP 118 Cb -0.17 -2.25 0.07 0.00 -0.30 0.00 0.00 42.92 40.28 1n3t s ASP 118 CO -0.21 0.11 1.02 -0.83 -0.17 0.00 0.00 175.17 175.09 1n3t s GLY 119 N 0.17 0.05 0.03 2.66 0.00 -1.09 0.69 107.32 109.84 1n3t s GLY 119 Ca 0.23 -0.25 0.02 0.00 0.00 0.00 0.00 44.72 44.72 1n3t s GLY 119 CO 0.09 1.84 -0.08 0.54 0.00 0.00 0.00 173.10 175.50 1n3t s LYS 120 N -2.38 0.52 0.23 2.90 3.01 -0.61 -1.87 119.74 121.55 1n3t s LYS 120 Ca 0.20 -0.62 0.09 0.00 -1.01 0.00 0.00 55.97 54.63 1n3t s LYS 120 Cb -0.02 -0.36 -0.04 0.00 -1.01 0.00 0.00 37.83 36.40 1n3t s LYS 120 CO 0.05 0.07 -0.07 0.00 0.51 0.00 0.00 175.35 175.91 1n3t s ALA 121 N -1.04 3.02 -0.15 5.17 0.00 -0.69 -1.76 121.76 126.31 1n3t s ALA 121 Ca -0.06 -1.59 -0.04 0.00 0.00 0.00 0.00 51.96 50.26 1n3t s ALA 121 Cb -0.08 -0.70 0.05 0.00 0.00 0.00 0.00 23.12 22.40 1n3t s ALA 121 CO 0.00 0.36 0.08 0.99 0.00 0.00 0.00 175.76 177.19 1n3t s THR 122 N -2.06 -0.06 0.07 0.00 2.01 -0.14 -0.99 115.64 114.47 1n3t s THR 122 Ca 0.28 -0.06 0.07 0.00 0.31 0.00 0.00 61.69 62.29 1n3t s THR 122 Cb -0.07 -0.51 -0.04 0.00 0.01 0.00 0.00 72.50 71.89 1n3t s THR 122 CO 0.17 -0.18 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.09 1n3t s VAL 123 N 2.13 3.10 -0.20 3.82 1.01 -0.08 -1.24 120.40 128.95 1n3t s VAL 123 Ca 0.02 -1.20 -0.21 0.00 0.00 0.00 0.00 61.98 60.59 1n3t s VAL 123 Cb -0.15 -2.38 0.06 0.00 0.00 0.00 0.00 36.38 33.91 1n3t s VAL 123 CO -0.08 0.24 0.59 0.00 0.00 0.00 0.00 175.10 175.84 1n3t s ALA 124 N -1.06 -1.46 0.17 5.51 0.00 -0.45 -1.02 121.76 123.45 1n3t s ALA 124 Ca 0.18 1.57 -0.10 0.00 0.00 0.00 0.00 51.96 53.61 1n3t s ALA 124 Cb -0.11 -0.83 -0.01 0.00 0.00 0.00 0.00 23.12 22.18 1n3t s ALA 124 CO 0.09 -0.29 0.30 1.52 0.00 0.00 0.00 175.76 177.38 1n3t s TYR 125 N 0.09 0.37 -0.31 0.00 1.13 -1.12 0.64 117.35 118.15 1n3t s TYR 125 Ca -0.02 -0.73 0.00 0.00 -1.41 0.00 0.00 57.07 54.92 1n3t s TYR 125 Cb -0.04 -0.03 0.07 0.00 -1.10 0.00 0.00 41.96 40.87 1n3t s TYR 125 CO 0.02 -0.74 0.00 0.42 -2.51 0.00 0.00 175.55 172.74 1n3t s ILE 126 N -3.96 2.67 0.35 -3.49 1.01 -0.54 -1.17 121.20 116.06 1n3t s ILE 126 Ca 0.17 -1.71 -0.25 0.00 0.00 0.00 0.00 60.65 58.85 1n3t s ILE 126 Cb 0.03 -2.65 -0.13 0.00 0.01 0.00 0.00 42.46 39.71 1n3t s ILE 126 CO 0.00 -0.24 0.78 -2.65 0.00 0.00 0.00 174.94 172.83 1n3t n PRO 127 N 4.50 0.90 0.00 2.79 -0.02 -1.26 -4.87 135.00 137.04 1n3t n PRO 127 Ca -0.09 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 1n3t n PRO 127 Cb 0.42 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 1n3t n PRO 127 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1n3t n LYS 128 N 0.61 0.00 0.01 -0.52 4.81 -1.26 -4.74 118.16 117.07 1n3t n LYS 128 Ca 0.11 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.66 1n3t n LYS 128 Cb 0.35 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.32 1n3t n LYS 128 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1n3t n ASP 129 N 0.00 0.55 -4.05 3.14 8.00 -1.26 -4.83 116.55 118.10 1n3t n ASP 129 Ca 0.00 -0.38 -0.07 0.00 0.71 0.00 0.00 54.79 55.04 1n3t n ASP 129 Cb 0.00 1.22 -0.10 0.00 -0.02 0.00 0.00 41.12 42.22 1n3t n ASP 129 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1n3t s SER 130 N -3.84 0.42 -0.18 -2.24 1.04 -1.26 -1.49 113.70 106.15 1n3t s SER 130 Ca 0.01 -0.95 0.01 0.00 0.48 0.00 0.00 55.95 55.51 1n3t s SER 130 Cb 0.15 0.23 0.03 0.00 0.10 0.00 0.00 66.02 66.52 1n3t s SER 130 CO 0.86 -0.63 -0.16 -0.69 0.98 0.00 0.00 173.24 173.59 1n3t s VAL 131 N -3.91 1.90 0.64 5.02 1.01 0.09 -4.71 120.40 120.43 1n3t s VAL 131 Ca 0.07 -0.94 -0.15 0.00 0.00 0.00 0.00 61.98 60.97 1n3t s VAL 131 Cb 0.07 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.66 1n3t s VAL 131 CO -0.10 0.42 1.09 -0.63 0.00 0.00 0.00 175.10 175.88 1n3t s ILE 132 N 1.33 3.48 -0.01 2.22 1.01 -1.26 -2.01 121.20 125.96 1n3t s ILE 132 Ca 0.03 0.67 -0.30 0.00 0.00 0.00 0.00 60.65 61.05 1n3t s ILE 132 Cb -0.14 -3.21 -0.05 0.00 0.01 0.00 0.00 42.46 39.07 1n3t s ILE 132 CO -0.11 -0.44 1.34 -0.83 0.00 0.00 0.00 174.94 174.90 1n3t s GLY 133 N -2.74 1.94 0.25 6.18 0.00 -1.06 -4.93 107.32 106.96 1n3t s GLY 133 Ca 0.65 0.81 -0.12 0.00 0.00 0.00 0.00 44.72 46.06 1n3t s GLY 133 CO 0.41 2.42 1.57 1.41 0.00 0.00 0.00 173.10 178.90 1n3t h LEU 134 N 8.25 -1.02 -0.91 0.66 3.38 -1.93 0.65 115.31 124.40 1n3t h LEU 134 Ca -0.37 0.28 0.12 0.00 0.09 0.00 0.00 57.88 58.00 1n3t h LEU 134 Cb 1.17 0.62 -0.08 0.00 0.09 0.00 0.00 40.66 42.46 1n3t h LEU 134 CO 0.89 -0.30 0.54 0.77 0.09 0.00 0.00 178.44 180.43 1n3t h SER 135 N -0.01 0.76 -0.86 -0.43 4.64 -2.01 -2.50 113.55 113.13 1n3t h SER 135 Ca 0.41 0.06 0.15 0.00 -0.47 0.00 0.00 61.79 61.94 1n3t h SER 135 Cb 0.65 -0.09 -0.15 0.00 -0.31 0.00 0.00 62.40 62.50 1n3t h SER 135 CO -0.95 0.40 -0.31 0.11 -0.87 0.00 0.00 176.83 175.22 1n3t h LYS 136 N 0.85 -0.03 -0.48 4.77 1.79 -1.25 0.71 116.57 122.93 1n3t h LYS 136 Ca 0.46 0.00 0.14 0.00 -2.18 0.00 0.00 60.65 59.07 1n3t h LYS 136 Cb 0.48 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.12 1n3t h LYS 136 CO -0.28 -0.02 0.36 0.82 -1.08 0.00 0.00 179.45 179.25 1n3t h ILE 137 N -0.04 0.70 0.03 1.86 2.04 -1.53 0.23 117.51 120.81 1n3t h ILE 137 Ca 0.36 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 66.05 1n3t h ILE 137 Cb 0.61 0.74 0.02 0.00 -0.74 0.00 0.00 36.82 37.45 1n3t h ILE 137 CO -0.89 0.00 -0.67 0.78 0.00 0.00 0.00 178.15 177.37 1n3t h ASN 138 N 0.00 0.53 0.18 1.72 2.35 0.29 -3.06 115.58 117.60 1n3t h ASN 138 Ca 0.23 -0.80 -0.00 0.00 -0.55 0.00 0.00 56.30 55.17 1n3t h ASN 138 Cb 0.95 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.14 1n3t h ASN 138 CO -0.00 1.27 -0.24 0.03 -1.65 0.00 0.00 177.43 176.84 1n3t h ARG 139 N -0.14 -0.42 -0.79 0.81 2.47 0.71 -1.12 114.38 115.90 1n3t h ARG 139 Ca -0.09 0.03 0.15 0.00 -1.26 0.00 0.00 59.98 58.81 1n3t h ARG 139 Cb 1.41 0.09 -0.15 0.00 -1.65 0.00 0.00 29.97 29.67 1n3t h ARG 139 CO 0.13 -0.28 -0.24 0.82 0.56 0.00 0.00 179.97 180.97 1n3t h ILE 140 N -0.43 0.17 -0.13 2.04 2.04 -0.80 0.30 117.51 120.70 1n3t h ILE 140 Ca -0.02 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.86 1n3t h ILE 140 Cb 0.39 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 1n3t h ILE 140 CO -0.06 0.00 -0.01 0.58 0.00 0.00 0.00 178.15 178.66 1n3t h VAL 141 N -0.02 0.90 0.00 1.67 2.07 -1.40 -0.99 116.25 118.47 1n3t h VAL 141 Ca 0.36 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.87 1n3t h VAL 141 Cb 0.58 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1n3t h VAL 141 CO -0.82 0.01 0.00 1.56 0.02 0.00 0.00 177.57 178.33 1n3t h GLN 142 N 0.03 0.00 0.36 1.57 1.08 0.65 -1.96 115.11 116.84 1n3t h GLN 142 Ca 0.06 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.24 1n3t h GLN 142 Cb 0.08 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 1n3t h GLN 142 CO -0.11 0.00 -0.17 0.35 -0.95 0.00 0.00 178.83 177.95 1n3t h PHE 143 N 0.00 -0.44 0.00 2.96 3.57 0.80 -2.99 116.94 120.84 1n3t h PHE 143 Ca 0.00 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.43 1n3t h PHE 143 Cb 0.28 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 1n3t h PHE 143 CO 0.00 -0.11 -0.29 0.74 -2.23 0.00 0.00 178.31 176.42 1n3t h PHE 144 N -0.91 0.00 -0.22 0.41 0.04 -1.40 -2.88 116.94 111.99 1n3t h PHE 144 Ca -0.05 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.68 1n3t h PHE 144 Cb 0.53 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.67 1n3t h PHE 144 CO 0.03 0.29 -0.04 0.00 -0.60 0.00 0.00 178.31 177.99 1n3t h ALA 145 N 1.71 1.53 -0.04 2.45 0.00 -1.37 -3.27 119.26 120.27 1n3t h ALA 145 Ca -0.00 -0.17 -0.69 0.00 0.00 0.00 0.00 54.91 54.05 1n3t h ALA 145 Cb 0.73 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1n3t h ALA 145 CO 0.04 0.34 3.49 1.04 0.00 0.00 0.00 179.25 184.16 1n3t n GLN 146 N -4.32 3.39 -3.46 0.00 1.13 -1.08 -4.29 117.38 108.75 1n3t n GLN 146 Ca 0.00 -2.43 -0.14 0.00 -1.94 0.00 0.00 57.00 52.49 1n3t n GLN 146 Cb 0.22 -2.99 -0.03 0.00 0.11 0.00 0.00 30.24 27.55 1n3t n GLN 146 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1n3t s ARG 147 N 2.43 1.20 -0.75 -1.09 0.52 -1.20 0.24 118.95 120.29 1n3t s ARG 147 Ca 0.60 -0.24 -0.26 0.00 -0.52 0.00 0.00 55.73 55.31 1n3t s ARG 147 Cb 0.16 0.55 -0.10 0.00 0.52 0.00 0.00 34.95 36.09 1n3t s ARG 147 CO -0.07 -0.48 2.28 -2.14 0.02 0.00 0.00 175.30 174.91 1n3t s PRO 148 N -2.91 1.93 0.73 3.54 0.02 -1.26 -4.09 135.00 132.96 1n3t s PRO 148 Ca -0.03 0.50 0.01 0.00 0.02 0.00 0.00 61.00 61.50 1n3t s PRO 148 Cb -0.01 -4.78 0.14 0.00 0.02 0.00 0.00 34.50 29.87 1n3t s PRO 148 CO -0.05 -3.94 1.00 -0.65 -0.33 0.00 0.00 177.00 173.03 1n3t s GLN 149 N 8.30 1.60 -0.11 5.54 -1.52 0.19 -4.32 119.66 129.35 1n3t s GLN 149 Ca 0.87 -1.32 -0.04 0.00 -1.95 0.00 0.00 55.36 52.92 1n3t s GLN 149 Cb -0.12 -2.36 0.05 0.00 -0.22 0.00 0.00 33.01 30.36 1n3t s GLN 149 CO 0.10 -1.50 0.21 0.08 -0.25 0.00 0.00 175.29 173.93 1n3t s VAL 150 N -3.13 -0.32 0.12 1.09 1.01 -1.26 -1.18 120.40 116.73 1n3t s VAL 150 Ca 0.68 0.31 -0.30 0.00 0.00 0.00 0.00 61.98 62.66 1n3t s VAL 150 Cb -0.04 -0.36 -0.08 0.00 0.00 0.00 0.00 36.38 35.89 1n3t s VAL 150 CO 0.45 0.13 1.59 -0.61 0.00 0.00 0.00 175.10 176.65 1n3t h GLN 151 N 8.25 -0.56 -0.85 2.72 4.15 -1.98 0.29 115.11 127.13 1n3t h GLN 151 Ca -0.15 0.04 0.19 0.00 0.77 0.00 0.00 58.65 59.49 1n3t h GLN 151 Cb 1.12 0.13 -0.16 0.00 0.21 0.00 0.00 27.48 28.78 1n3t h GLN 151 CO 0.15 -0.37 -0.13 0.93 -1.93 0.00 0.00 178.83 177.48 1n3t h GLU 152 N -0.58 0.02 0.39 1.69 3.07 -1.99 -1.96 114.58 115.22 1n3t h GLU 152 Ca 0.04 -0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.88 1n3t h GLU 152 Cb 0.65 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.56 1n3t h GLU 152 CO -0.30 0.01 -0.19 -0.09 -1.40 0.00 0.00 179.01 177.05 1n3t h ARG 153 N 0.02 -0.50 -1.85 2.33 2.43 -1.75 -3.18 114.38 111.88 1n3t h ARG 153 Ca 0.44 0.03 0.54 0.00 -0.81 0.00 0.00 59.98 60.18 1n3t h ARG 153 Cb 0.73 0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 30.32 1n3t h ARG 153 CO -0.84 -0.20 1.37 1.25 -1.51 0.00 0.00 179.97 180.04 1n3t h LEU 154 N -0.98 0.00 -0.04 3.80 5.85 0.27 1.10 115.31 125.30 1n3t h LEU 154 Ca -0.05 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.49 1n3t h LEU 154 Cb 0.53 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.58 1n3t h LEU 154 CO 0.09 0.00 -0.65 0.74 -0.34 0.00 0.00 178.44 178.27 1n3t h THR 155 N 0.00 1.38 -0.39 1.05 2.02 -1.39 -3.16 112.91 112.43 1n3t h THR 155 Ca 0.88 -2.02 0.00 0.00 0.77 0.00 0.00 66.41 66.04 1n3t h THR 155 Cb 3.61 2.41 -0.02 0.00 -1.74 0.00 0.00 68.15 72.40 1n3t h THR 155 CO -0.01 0.60 0.24 1.56 0.37 0.00 0.00 175.52 178.29 1n3t h GLN 156 N 0.08 0.52 -0.15 6.66 1.08 0.12 -2.64 115.11 120.78 1n3t h GLN 156 Ca -0.07 -0.04 0.01 0.00 -1.45 0.00 0.00 58.65 57.10 1n3t h GLN 156 Cb 1.33 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 28.63 1n3t h GLN 156 CO 0.13 0.37 0.05 1.96 -0.95 0.00 0.00 178.83 180.39 1n3t h GLN 157 N 0.51 0.12 -0.91 1.46 4.20 -1.50 -1.53 115.11 117.46 1n3t h GLN 157 Ca 0.14 -0.01 0.12 0.00 0.06 0.00 0.00 58.65 58.97 1n3t h GLN 157 Cb -0.02 -0.03 -0.08 0.00 0.30 0.00 0.00 27.48 27.65 1n3t h GLN 157 CO -0.03 0.08 0.53 0.82 -0.67 0.00 0.00 178.83 179.56 1n3t h ILE 158 N 0.12 0.86 0.73 2.54 2.04 -1.49 0.12 117.51 122.42 1n3t h ILE 158 Ca 0.07 -0.28 -0.04 0.00 1.00 0.00 0.00 64.86 65.61 1n3t h ILE 158 Cb 0.04 -0.04 0.01 0.00 -0.74 0.00 0.00 36.82 36.09 1n3t h ILE 158 CO -0.07 0.15 -0.35 0.25 0.00 0.00 0.00 178.15 178.13 1n3t h LEU 159 N 0.82 -0.83 -0.46 1.44 5.85 -1.03 -1.80 115.31 119.30 1n3t h LEU 159 Ca 0.46 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 59.15 1n3t h LEU 159 Cb 0.51 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 1n3t h LEU 159 CO -0.29 -0.56 0.11 0.40 -0.34 0.00 0.00 178.44 177.76 1n3t h ILE 160 N -1.02 1.24 -0.79 4.05 2.04 -0.95 0.15 117.51 122.22 1n3t h ILE 160 Ca -0.10 -0.82 0.05 0.00 1.00 0.00 0.00 64.86 64.99 1n3t h ILE 160 Cb 0.76 0.89 -0.05 0.00 -0.74 0.00 0.00 36.82 37.67 1n3t h ILE 160 CO 0.16 0.29 0.49 0.00 0.00 0.00 0.00 178.15 179.10 1n3t h ALA 161 N 0.98 1.07 -0.19 1.87 0.00 -0.84 0.13 119.26 122.28 1n3t h ALA 161 Ca 0.15 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1n3t h ALA 161 Cb 0.32 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1n3t h ALA 161 CO 0.00 0.25 -0.07 -0.07 0.00 0.00 0.00 179.25 179.36 1n3t h LEU 162 N 0.92 0.39 -0.64 0.00 3.38 -1.00 -2.31 115.31 116.05 1n3t h LEU 162 Ca 0.34 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1n3t h LEU 162 Cb 0.11 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1n3t h LEU 162 CO -0.15 0.70 0.42 1.56 0.09 0.00 0.00 178.44 181.06 1n3t h GLN 163 N 0.08 0.85 -0.28 1.13 4.20 -0.40 -0.14 115.11 120.56 1n3t h GLN 163 Ca 0.04 -0.06 0.02 0.00 0.06 0.00 0.00 58.65 58.71 1n3t h GLN 163 Cb 0.54 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 1n3t h GLN 163 CO 0.02 0.57 0.15 1.15 -0.67 0.00 0.00 178.83 180.06 1n3t h THR 164 N 0.87 1.01 -0.26 -0.54 2.02 -0.97 -0.55 112.91 114.49 1n3t h THR 164 Ca 0.23 -0.11 -0.08 0.00 0.77 0.00 0.00 66.41 67.23 1n3t h THR 164 Cb -0.09 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 1n3t h THR 164 CO -0.05 0.06 -0.14 -0.07 0.37 0.00 0.00 175.52 175.69 1n3t h LEU 165 N 0.31 0.57 -0.79 2.58 3.38 -1.11 -3.21 115.31 117.04 1n3t h LEU 165 Ca 0.11 -0.42 -0.04 0.00 0.09 0.00 0.00 57.88 57.63 1n3t h LEU 165 Cb 0.02 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1n3t h LEU 165 CO -0.07 0.87 -0.19 -0.07 0.09 0.00 0.00 178.44 179.07 1n3t h LEU 166 N 0.28 0.00 0.00 1.67 3.38 -0.99 -3.47 115.31 116.18 1n3t h LEU 166 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1n3t h LEU 166 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1n3t h LEU 166 CO 0.04 0.19 0.00 0.61 0.09 0.00 0.00 178.44 179.37 1n3t n GLY 167 N 0.48 0.47 3.11 0.83 0.00 -0.24 -4.68 105.19 105.16 1n3t n GLY 167 Ca 0.01 -0.94 -0.07 0.00 0.00 0.00 0.00 46.02 45.02 1n3t n GLY 167 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n3t s THR 168 N -2.00 0.20 -1.82 2.61 2.01 -1.07 -4.96 115.64 110.61 1n3t s THR 168 Ca 0.00 -1.77 0.18 0.00 0.31 0.00 0.00 61.69 60.41 1n3t s THR 168 Cb 0.00 -1.57 0.03 0.00 0.01 0.00 0.00 72.50 70.98 1n3t s THR 168 CO 0.00 -0.91 0.97 0.59 -0.69 0.00 0.00 174.62 174.58 1n3t n ASN 169 N 0.07 1.95 -3.85 3.53 3.02 -1.26 -4.34 115.26 114.38 1n3t n ASN 169 Ca -0.13 -1.48 -0.42 0.00 -0.03 0.00 0.00 54.58 52.52 1n3t n ASN 169 Cb 0.61 0.36 0.00 0.00 -0.61 0.00 0.00 39.78 40.14 1n3t n ASN 169 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1n3t n ASN 170 N 0.19 4.45 -4.05 6.41 3.02 -1.26 -0.57 115.26 123.45 1n3t n ASN 170 Ca 0.08 -2.96 -0.12 0.00 -0.03 0.00 0.00 54.58 51.56 1n3t n ASN 170 Cb 0.40 -1.59 -0.11 0.00 -0.61 0.00 0.00 39.78 37.87 1n3t n ASN 170 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1n3t s VAL 171 N 2.10 0.43 -0.06 2.41 1.01 -1.24 -1.46 120.40 123.58 1n3t s VAL 171 Ca 0.44 -1.11 -0.05 0.00 0.00 0.00 0.00 61.98 61.26 1n3t s VAL 171 Cb 0.11 -0.62 0.02 0.00 0.00 0.00 0.00 36.38 35.89 1n3t s VAL 171 CO -0.04 -0.46 0.16 0.00 0.00 0.00 0.00 175.10 174.75 1n3t s ALA 172 N -1.63 -0.38 -0.01 5.51 0.00 0.21 -0.72 121.76 124.74 1n3t s ALA 172 Ca -0.10 0.46 0.03 0.00 0.00 0.00 0.00 51.96 52.35 1n3t s ALA 172 Cb -0.08 -0.28 -0.00 0.00 0.00 0.00 0.00 23.12 22.76 1n3t s ALA 172 CO -0.01 -0.08 -0.09 0.08 0.00 0.00 0.00 175.76 175.66 1n3t s VAL 173 N 0.18 0.72 -0.04 0.00 1.01 -0.69 -1.34 120.40 120.24 1n3t s VAL 173 Ca -0.01 -0.37 -0.02 0.00 0.00 0.00 0.00 61.98 61.59 1n3t s VAL 173 Cb -0.02 -0.62 0.03 0.00 0.00 0.00 0.00 36.38 35.78 1n3t s VAL 173 CO -0.00 0.21 0.08 -0.55 0.00 0.00 0.00 175.10 174.83 1n3t s SER 174 N -0.07 0.66 -0.10 3.32 0.15 -0.37 -1.05 113.70 116.23 1n3t s SER 174 Ca 0.01 0.13 0.02 0.00 0.70 0.00 0.00 55.95 56.82 1n3t s SER 174 Cb -0.05 -0.02 -0.01 0.00 -1.71 0.00 0.00 66.02 64.22 1n3t s SER 174 CO -0.00 -0.21 -0.17 -0.63 1.20 0.00 0.00 173.24 173.43 1n3t s ILE 175 N 1.80 2.71 -0.23 6.45 1.01 -0.70 -0.97 121.20 131.27 1n3t s ILE 175 Ca -0.01 -0.80 0.01 0.00 0.00 0.00 0.00 60.65 59.85 1n3t s ILE 175 Cb -0.12 -2.09 0.03 0.00 0.01 0.00 0.00 42.46 40.29 1n3t s ILE 175 CO -0.04 0.55 -0.13 -0.62 0.00 0.00 0.00 174.94 174.71 1n3t s ASP 176 N 0.09 3.93 0.14 3.58 2.15 -0.72 -1.06 116.67 124.78 1n3t s ASP 176 Ca -0.08 -0.95 -0.05 0.00 0.43 0.00 0.00 52.55 51.90 1n3t s ASP 176 Cb -0.15 -1.56 -0.02 0.00 -0.30 0.00 0.00 42.92 40.88 1n3t s ASP 176 CO 0.05 -0.10 0.16 0.00 -0.17 0.00 0.00 175.17 175.11 1n3t s ALA 177 N 1.24 0.38 -0.17 3.66 0.00 0.22 -1.57 121.76 125.53 1n3t s ALA 177 Ca -0.01 -1.13 -0.00 0.00 0.00 0.00 0.00 51.96 50.82 1n3t s ALA 177 Cb -0.16 0.80 -0.00 0.00 0.00 0.00 0.00 23.12 23.75 1n3t s ALA 177 CO -0.08 -0.55 -0.14 0.08 0.00 0.00 0.00 175.76 175.07 1n3t s VAL 178 N -3.99 2.70 -0.30 0.00 1.01 0.22 -0.29 120.40 119.75 1n3t s VAL 178 Ca 0.18 -0.75 -0.12 0.00 0.00 0.00 0.00 61.98 61.30 1n3t s VAL 178 Cb 0.05 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 1n3t s VAL 178 CO -0.01 0.51 0.23 -1.00 0.00 0.00 0.00 175.10 174.83 1n3t s HIS 179 N 0.95 3.22 -0.38 5.22 3.76 -1.26 -1.25 115.29 125.56 1n3t s HIS 179 Ca -0.03 0.02 0.22 0.00 -0.15 0.00 0.00 55.06 55.13 1n3t s HIS 179 Cb -0.15 -2.44 1.04 0.00 1.11 0.00 0.00 32.58 32.14 1n3t s HIS 179 CO -0.02 -0.24 1.67 0.66 -0.85 0.00 0.00 174.74 175.96 1n3t n TYR 180 N 5.11 0.75 1.75 1.40 4.02 -0.60 -0.89 117.16 128.70 1n3t n TYR 180 Ca -0.13 0.34 0.02 0.00 -0.01 0.00 0.00 57.90 58.12 1n3t n TYR 180 Cb 0.51 -1.04 0.10 0.00 -0.02 0.00 0.00 39.34 38.89 1n3t n TYR 180 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1n3t n SER 181 N -2.22 0.43 0.00 7.72 3.41 -1.26 -1.88 113.62 119.82 1n3t n SER 181 Ca 0.01 -1.93 0.00 0.00 -0.26 0.00 0.00 58.87 56.69 1n3t n SER 181 Cb 0.14 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 1n3t n SER 181 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1n3t n VAL 182 N -0.30 0.00 0.00 -3.33 0.31 -0.07 -4.62 118.33 110.33 1n3t n VAL 182 Ca 0.04 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.16 1n3t n VAL 182 Cb 0.08 -0.63 -0.14 0.00 -0.91 0.00 0.00 33.84 32.24 1n3t n VAL 182 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1n3t h LYS 183 N 0.00 0.24 -0.23 5.55 3.64 -1.29 -0.50 116.57 123.99 1n3t h LYS 183 Ca 0.00 -0.42 -0.11 0.00 -1.27 0.00 0.00 60.65 58.85 1n3t h LYS 183 Cb 0.67 0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 32.58 1n3t h LYS 183 CO 0.00 1.20 -0.19 0.00 -2.27 0.00 0.00 179.45 178.19 1n3t n ALA 184 N -3.02 3.92 -3.61 5.00 0.00 -0.79 -3.76 120.51 118.26 1n3t n ALA 184 Ca -0.28 -3.10 -0.10 0.00 0.00 0.00 0.00 53.44 49.96 1n3t n ALA 184 Cb 0.95 -0.61 -0.06 0.00 0.00 0.00 0.00 19.45 19.74 1n3t n ALA 184 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1n3t s ARG 185 N -3.20 0.53 7.30 0.00 3.52 -1.25 -4.97 118.95 120.88 1n3t s ARG 185 Ca 0.42 0.34 0.00 0.00 -0.13 0.00 0.00 55.73 56.36 1n3t s ARG 185 Cb 0.38 0.26 0.00 0.00 -1.56 0.00 0.00 34.95 34.03 1n3t s ARG 185 CO -0.01 -0.12 0.00 0.41 -0.81 0.00 0.00 175.30 174.76 1n3t n GLY 186 N 1.40 2.22 0.26 8.12 0.00 -1.26 -2.92 105.19 113.00 1n3t n GLY 186 Ca -0.11 -0.31 0.17 0.00 0.00 0.00 0.00 46.02 45.77 1n3t n GLY 186 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1n3t h ILE 187 N 0.00 0.00 -6.51 -0.61 2.04 -1.88 -3.47 117.51 107.08 1n3t h ILE 187 Ca 0.00 -0.47 -0.50 0.00 1.00 0.00 0.00 64.86 64.89 1n3t h ILE 187 Cb 0.00 1.44 0.02 0.00 -0.74 0.00 0.00 36.82 37.54 1n3t h ILE 187 CO 0.00 0.00 -0.95 0.54 0.00 0.00 0.00 178.15 177.74 1n3t n ARG 188 N -3.00 -1.37 -2.85 2.37 1.74 -1.05 -4.88 116.66 107.62 1n3t n ARG 188 Ca 0.01 0.33 -0.43 0.00 -0.77 0.00 0.00 57.85 56.98 1n3t n ARG 188 Cb 0.29 -3.76 -0.04 0.00 -1.02 0.00 0.00 32.46 27.93 1n3t n ARG 188 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1n3t s ASP 189 N -3.72 6.45 0.52 0.55 -1.08 -0.22 -4.91 116.67 114.26 1n3t s ASP 189 Ca 0.36 -0.02 0.31 0.00 -0.52 0.00 0.00 52.55 52.68 1n3t s ASP 189 Cb -0.15 -2.44 1.06 0.00 -1.46 0.00 0.00 42.92 39.93 1n3t s ASP 189 CO 0.90 -1.07 1.87 0.00 0.52 0.00 0.00 175.17 177.40 1n3t h ALA 190 N 9.12 1.00 0.00 3.66 0.00 -1.86 -3.36 119.26 127.81 1n3t h ALA 190 Ca -0.25 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.50 1n3t h ALA 190 Cb 1.08 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1n3t h ALA 190 CO 1.03 0.00 -1.64 0.25 0.00 0.00 0.00 179.25 178.89 1n3t n THR 191 N -3.08 0.64 -1.44 0.00 -2.24 -1.26 -5.07 114.28 101.83 1n3t n THR 191 Ca 0.02 -0.36 -0.37 0.00 -2.27 0.00 0.00 64.05 61.06 1n3t n THR 191 Cb 0.37 -0.79 0.05 0.00 -2.10 0.00 0.00 70.33 67.86 1n3t n THR 191 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1n3t n SER 192 N -2.46 -0.75 -3.63 3.42 3.41 -1.26 -5.05 113.62 107.30 1n3t n SER 192 Ca -0.16 0.70 -0.16 0.00 -0.26 0.00 0.00 58.87 59.00 1n3t n SER 192 Cb 0.78 -1.23 -0.07 0.00 -0.26 0.00 0.00 64.21 63.43 1n3t n SER 192 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n3t s ALA 193 N -1.74 -1.37 0.05 7.33 0.00 -1.26 -4.86 121.76 119.90 1n3t s ALA 193 Ca 0.69 1.06 0.03 0.00 0.00 0.00 0.00 51.96 53.74 1n3t s ALA 193 Cb -0.41 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 1n3t s ALA 193 CO 0.54 -0.31 0.01 0.99 0.00 0.00 0.00 175.76 176.99 1n3t s THR 194 N -0.91 4.17 -0.15 0.00 2.01 0.60 -4.94 115.64 116.42 1n3t s THR 194 Ca -0.09 -0.78 -0.03 0.00 0.31 0.00 0.00 61.69 61.10 1n3t s THR 194 Cb -0.03 -2.93 0.05 0.00 0.01 0.00 0.00 72.50 69.60 1n3t s THR 194 CO 0.06 0.23 0.05 -0.89 -0.69 0.00 0.00 174.62 173.38 1n3t s THR 195 N -1.22 0.26 0.11 -0.82 2.01 -1.26 0.71 115.64 115.42 1n3t s THR 195 Ca 0.24 -0.22 0.06 0.00 0.31 0.00 0.00 61.69 62.08 1n3t s THR 195 Cb -0.12 -0.72 -0.04 0.00 0.01 0.00 0.00 72.50 71.63 1n3t s THR 195 CO 0.15 -0.10 -0.01 0.42 -0.69 0.00 0.00 174.62 174.40 1n3t s THR 196 N 1.99 3.89 -0.15 -0.82 -4.23 -0.22 -4.99 115.64 111.11 1n3t s THR 196 Ca 0.02 -1.10 -0.13 0.00 -1.18 0.00 0.00 61.69 59.29 1n3t s THR 196 Cb -0.15 -2.87 0.04 0.00 1.34 0.00 0.00 72.50 70.86 1n3t s THR 196 CO -0.07 0.07 0.39 0.42 -0.54 0.00 0.00 174.62 174.89 1n3t s THR 197 N -1.38 -0.00 -0.16 3.99 -4.23 -1.26 -1.72 115.64 110.87 1n3t s THR 197 Ca 0.26 0.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.78 1n3t s THR 197 Cb -0.11 -0.55 0.02 0.00 1.34 0.00 0.00 72.50 73.20 1n3t s THR 197 CO 0.18 0.01 -0.15 -0.44 -0.54 0.00 0.00 174.62 173.68 1n3t s SER 198 N 0.37 2.80 -0.19 3.99 0.01 -0.22 -5.02 113.70 115.45 1n3t s SER 198 Ca -0.01 -0.54 -0.05 0.00 1.31 0.00 0.00 55.95 56.65 1n3t s SER 198 Cb -0.04 -1.22 -0.03 0.00 0.21 0.00 0.00 66.02 64.95 1n3t s SER 198 CO -0.01 -0.06 -0.00 -0.76 0.41 0.00 0.00 173.24 172.82 1n3t s LEU 199 N 1.45 3.31 0.21 2.44 1.43 -1.26 -1.70 118.68 124.56 1n3t s LEU 199 Ca 0.04 -0.16 0.09 0.00 -1.03 0.00 0.00 54.13 53.08 1n3t s LEU 199 Cb -0.13 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 1n3t s LEU 199 CO -0.11 0.10 -0.05 -0.83 0.23 0.00 0.00 176.35 175.70 1n3t s GLY 200 N 0.78 1.70 0.00 -3.19 0.00 0.10 -4.48 107.32 102.23 1n3t s GLY 200 Ca 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 44.72 43.19 1n3t s GLY 200 CO 0.02 -1.57 0.00 0.61 0.00 0.00 0.00 173.10 172.16 1n3t n GLY 201 N -0.37 2.46 0.38 0.20 0.00 0.26 -2.10 105.19 106.02 1n3t n GLY 201 Ca -0.09 -0.40 0.17 0.00 0.00 0.00 0.00 46.02 45.70 1n3t n GLY 201 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1n3t h LEU 202 N 0.00 0.60 -0.76 0.99 3.38 -1.94 0.33 115.31 117.91 1n3t h LEU 202 Ca 0.00 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1n3t h LEU 202 Cb 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1n3t h LEU 202 CO 0.00 0.19 0.26 0.49 0.09 0.00 0.00 178.44 179.48 1n3t n PHE 203 N -4.67 0.39 -0.03 1.13 3.72 -0.89 0.92 117.46 118.03 1n3t n PHE 203 Ca 0.23 0.20 -0.04 0.00 -0.05 0.00 0.00 57.45 57.79 1n3t n PHE 203 Cb 0.69 -0.63 -0.02 0.00 -0.94 0.00 0.00 39.48 38.57 1n3t n PHE 203 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1n3t n LYS 204 N -1.94 0.13 0.03 -1.08 4.81 0.11 -4.28 118.16 115.94 1n3t n LYS 204 Ca -0.01 0.03 -0.09 0.00 -0.87 0.00 0.00 58.31 57.37 1n3t n LYS 204 Cb 0.28 -1.03 -0.13 0.00 0.02 0.00 0.00 35.03 34.17 1n3t n LYS 204 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1n3t h SER 205 N -0.04 0.07 -3.44 3.14 4.64 -0.43 -3.44 113.55 114.06 1n3t h SER 205 Ca -0.12 -0.10 -0.67 0.00 -0.47 0.00 0.00 61.79 60.43 1n3t h SER 205 Cb 1.17 -0.02 -0.17 0.00 -0.31 0.00 0.00 62.40 63.07 1n3t h SER 205 CO -0.03 1.08 0.04 -0.55 -0.87 0.00 0.00 176.83 176.50 1n3t s SER 206 N -6.55 6.26 0.23 4.97 0.15 0.26 -4.94 113.70 114.08 1n3t s SER 206 Ca -0.03 -0.63 -0.08 0.00 0.70 0.00 0.00 55.95 55.92 1n3t s SER 206 Cb 0.09 -2.29 0.37 0.00 -1.71 0.00 0.00 66.02 62.47 1n3t s SER 206 CO 0.83 -0.80 1.70 -0.61 1.20 0.00 0.00 173.24 175.56 1n3t h GLN 207 N 8.91 0.26 0.87 5.44 5.75 -1.85 -0.27 115.11 134.23 1n3t h GLN 207 Ca -0.26 -0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.18 1n3t h GLN 207 Cb 1.10 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.59 1n3t h GLN 207 CO 0.91 0.17 -0.47 -0.97 -2.65 0.00 0.00 178.83 175.82 1n3t h ASN 208 N 0.27 -1.14 -0.55 -0.69 -1.24 -1.93 -2.96 115.58 107.34 1n3t h ASN 208 Ca 0.36 0.05 0.10 0.00 0.71 0.00 0.00 56.30 57.53 1n3t h ASN 208 Cb 0.57 0.31 -0.08 0.00 0.73 0.00 0.00 38.32 39.85 1n3t h ASN 208 CO -0.45 -0.76 0.06 0.74 -1.29 0.00 0.00 177.43 175.73 1n3t h THR 209 N -1.23 0.62 -0.43 -3.57 2.02 -1.75 -1.39 112.91 107.18 1n3t h THR 209 Ca -0.12 -0.06 0.05 0.00 0.77 0.00 0.00 66.41 67.05 1n3t h THR 209 Cb 0.96 0.42 -0.08 0.00 -1.74 0.00 0.00 68.15 67.71 1n3t h THR 209 CO 0.17 0.03 -0.55 -0.09 0.37 0.00 0.00 175.52 175.44 1n3t h ARG 210 N 0.18 -0.36 -0.09 6.66 2.43 -1.00 -1.30 114.38 120.91 1n3t h ARG 210 Ca 0.28 0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.41 1n3t h ARG 210 Cb 0.42 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 1n3t h ARG 210 CO -0.41 -0.24 -0.25 0.45 -1.51 0.00 0.00 179.97 178.01 1n3t h HIS 211 N -0.38 0.17 -0.48 2.20 3.86 -1.31 -0.62 115.15 118.59 1n3t h HIS 211 Ca 0.08 -0.03 0.09 0.00 -1.16 0.00 0.00 60.37 59.35 1n3t h HIS 211 Cb 0.58 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 28.98 1n3t h HIS 211 CO -0.74 0.40 0.33 0.93 0.86 0.00 0.00 177.93 179.70 1n3t h GLU 212 N 0.14 0.24 0.00 2.45 5.08 -0.15 -0.85 114.58 121.49 1n3t h GLU 212 Ca 0.02 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1n3t h GLU 212 Cb 0.52 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1n3t h GLU 212 CO 0.04 0.16 0.00 0.34 -1.00 0.00 0.00 179.01 178.55 1n3t n PHE 213 N -4.46 0.00 -0.54 4.33 7.35 -0.69 -3.78 117.46 119.67 1n3t n PHE 213 Ca 0.07 0.00 0.44 0.00 -0.76 0.00 0.00 57.45 57.20 1n3t n PHE 213 Cb 0.37 -0.40 0.74 0.00 0.35 0.00 0.00 39.48 40.53 1n3t n PHE 213 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1n3t h LEU 214 N 0.00 0.11 -0.08 -2.13 3.38 -1.12 0.32 115.31 115.78 1n3t h LEU 214 Ca 0.00 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1n3t h LEU 214 Cb 0.00 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1n3t h LEU 214 CO 0.00 -0.09 -0.11 -0.09 0.09 0.00 0.00 178.44 178.25 1n3t h ARG 215 N 0.04 0.22 -0.54 1.13 2.43 -1.33 -3.01 114.38 113.32 1n3t h ARG 215 Ca 0.84 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.89 1n3t h ARG 215 Cb 3.06 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 32.62 1n3t h ARG 215 CO -0.20 0.67 0.00 0.00 -1.51 0.00 0.00 179.97 178.93 1n3t n ALA 216 N -2.41 2.00 -2.92 2.80 0.00 0.11 -4.79 120.51 115.30 1n3t n ALA 216 Ca -0.07 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.15 1n3t n ALA 216 Cb 0.34 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.76 1n3t n ALA 216 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1n3t s VAL 217 N -1.17 5.00 -0.28 0.00 1.01 -1.14 -4.84 120.40 118.99 1n3t s VAL 217 Ca 0.00 -1.11 -0.03 0.00 0.00 0.00 0.00 61.98 60.83 1n3t s VAL 217 Cb 0.00 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1n3t s VAL 217 CO 0.00 -0.33 0.13 -1.14 0.00 0.00 0.00 175.10 173.76 1n3t n ARG 218 N -1.31 -2.67 -4.38 2.72 0.00 -1.26 -5.07 116.66 104.69 1n3t n ARG 218 Ca -0.09 2.26 -0.22 0.00 -0.00 0.00 0.00 57.85 59.81 1n3t n ARG 218 Cb 0.57 -4.72 -0.13 0.00 0.00 0.00 0.00 32.46 28.18 1n3t n ARG 218 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1n3t s HIS 219 N -1.60 1.49 -0.26 -0.14 3.76 -1.26 -5.14 115.29 112.13 1n3t s HIS 219 Ca 0.05 -0.39 -0.03 0.00 -0.15 0.00 0.00 55.06 54.54 1n3t s HIS 219 Cb -0.02 -0.86 0.02 0.00 1.11 0.00 0.00 32.58 32.83 1n3t s HIS 219 CO 0.65 0.09 -0.02 -1.58 -0.85 0.00 0.00 174.74 173.03 1n3t s HIS 220 N -0.97 3.10 0.00 1.40 2.46 -1.26 -4.88 115.29 115.13 1n3t s HIS 220 Ca 0.03 -1.38 0.00 0.00 0.47 0.00 0.00 55.06 54.18 1n3t s HIS 220 Cb -0.09 -2.12 0.00 0.00 -0.13 0.00 0.00 32.58 30.24 1n3t s HIS 220 CO 0.02 -0.68 0.00 0.09 -2.47 0.00 0.00 174.74 171.70