#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nji s LYS 2 N 0.00 3.05 -0.13 4.33 -0.14 -1.26 -4.97 119.74 120.63 1nji s LYS 2 Ca 0.00 1.24 0.04 0.00 -1.36 0.00 0.00 55.97 55.89 1nji s LYS 2 Cb 0.00 -1.99 -0.11 0.00 -1.68 0.00 0.00 37.83 34.05 1nji s LYS 2 CO 0.00 -1.03 -0.07 2.41 -0.76 0.00 0.00 175.35 175.90 1nji n THR 3 N -2.34 0.79 -2.04 2.17 -1.04 -1.26 -4.94 114.28 105.62 1nji n THR 3 Ca 0.09 -0.36 -0.43 0.00 -2.04 0.00 0.00 64.05 61.31 1nji n THR 3 Cb 0.53 -0.90 -0.03 0.00 -1.82 0.00 0.00 70.33 68.11 1nji n THR 3 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1nji s ASN 4 N -5.02 6.54 0.46 8.00 3.84 -1.26 -4.87 114.94 122.63 1nji s ASN 4 Ca -0.14 2.00 0.19 0.00 0.21 0.00 0.00 52.86 55.11 1nji s ASN 4 Cb 0.04 -2.53 1.11 0.00 -0.55 0.00 0.00 41.25 39.32 1nji s ASN 4 CO 0.37 -1.07 1.99 -0.65 -2.79 0.00 0.00 177.10 174.95 1nji h PRO 5 N 10.08 0.00 0.12 0.43 0.11 -1.99 -1.72 132.00 139.03 1nji h PRO 5 Ca -0.37 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.73 1nji h PRO 5 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1nji h PRO 5 CO 0.97 0.19 -0.06 0.00 -0.21 0.00 0.00 178.00 178.90 1nji h ARG 6 N 0.00 -0.16 -0.90 1.05 3.08 -1.99 -1.91 114.38 113.55 1nji h ARG 6 Ca -0.00 0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.16 1nji h ARG 6 Cb 0.39 0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.41 1nji h ARG 6 CO 0.03 0.31 0.58 1.25 -1.07 0.00 0.00 179.97 181.07 1nji h LEU 7 N -0.75 0.81 0.04 3.04 5.85 -1.93 0.76 115.31 123.12 1nji h LEU 7 Ca -0.02 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1nji h LEU 7 Cb 0.54 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.43 1nji h LEU 7 CO 0.03 0.47 -0.02 -1.28 -0.34 0.00 0.00 178.44 177.31 1nji h SER 8 N 0.89 -0.04 -0.62 1.25 0.87 -1.28 -1.87 113.55 112.75 1nji h SER 8 Ca 0.42 -0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.84 1nji h SER 8 Cb 0.41 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.35 1nji h SER 8 CO -0.18 0.07 0.23 0.28 -0.53 0.00 0.00 176.83 176.70 1nji h SER 9 N -0.15 0.87 -0.66 6.23 0.02 -0.44 -1.93 113.55 117.49 1nji h SER 9 Ca -0.00 -0.18 0.09 0.00 -0.84 0.00 0.00 61.79 60.85 1nji h SER 9 Cb 0.13 -0.23 -0.07 0.00 0.14 0.00 0.00 62.40 62.38 1nji h SER 9 CO 0.01 0.82 0.30 0.25 -1.14 0.00 0.00 176.83 177.06 1nji h LEU 10 N 0.87 0.36 -0.91 5.07 5.85 -0.75 0.22 115.31 126.02 1nji h LEU 10 Ca 0.21 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.96 1nji h LEU 10 Cb 0.23 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 1nji h LEU 10 CO -0.01 0.21 0.37 0.40 -0.34 0.00 0.00 178.44 179.06 1nji h ILE 11 N 0.51 1.25 -0.36 4.05 2.04 -0.88 0.20 117.51 124.32 1nji h ILE 11 Ca 0.33 -0.73 -0.15 0.00 1.00 0.00 0.00 64.86 65.31 1nji h ILE 11 Cb 0.37 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 1nji h ILE 11 CO -0.28 0.31 -0.38 0.00 0.00 0.00 0.00 178.15 177.80 1nji h ALA 12 N 1.26 0.65 -0.29 1.87 0.00 -0.44 -2.65 119.26 119.66 1nji h ALA 12 Ca 0.27 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1nji h ALA 12 Cb 0.14 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1nji h ALA 12 CO -0.03 0.67 0.10 -0.44 0.00 0.00 0.00 179.25 179.55 1nji h ASP 13 N 0.70 0.42 -0.92 0.00 3.32 -0.02 -1.41 116.42 118.52 1nji h ASP 13 Ca 0.06 -0.20 0.18 0.00 0.02 0.00 0.00 57.03 57.09 1nji h ASP 13 Cb 0.95 -0.11 -0.08 0.00 0.22 0.00 0.00 39.33 40.31 1nji h ASP 13 CO 0.09 0.50 0.59 -0.07 -1.72 0.00 0.00 179.24 178.63 1nji h LEU 14 N 0.31 0.57 0.12 1.55 3.38 -0.54 -1.51 115.31 119.19 1nji h LEU 14 Ca 0.09 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1nji h LEU 14 Cb 0.23 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1nji h LEU 14 CO -0.00 0.24 -0.06 0.11 0.09 0.00 0.00 178.44 178.82 1nji h LYS 15 N 0.58 -0.15 -0.86 1.13 1.57 -1.07 -2.26 116.57 115.50 1nji h LYS 15 Ca 0.48 0.01 0.22 0.00 -1.87 0.00 0.00 60.65 59.49 1nji h LYS 15 Cb 0.96 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 33.25 1nji h LYS 15 CO -0.23 0.30 0.59 1.03 -0.57 0.00 0.00 179.45 180.58 1nji h SER 16 N -0.69 0.21 0.36 0.86 0.87 -0.55 -0.24 113.55 114.37 1nji h SER 16 Ca -0.02 0.02 -0.28 0.00 -1.23 0.00 0.00 61.79 60.29 1nji h SER 16 Cb 0.52 -0.02 0.02 0.00 -0.44 0.00 0.00 62.40 62.48 1nji h SER 16 CO 0.03 0.08 -1.21 0.00 -0.53 0.00 0.00 176.83 175.20 1nji h ALA 17 N 1.60 0.09 0.00 6.23 0.00 -1.23 -2.31 119.26 123.65 1nji h ALA 17 Ca 0.43 -0.81 -0.11 0.00 0.00 0.00 0.00 54.91 54.43 1nji h ALA 17 Cb 1.36 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 1nji h ALA 17 CO -0.09 0.81 -0.50 0.00 0.00 0.00 0.00 179.25 179.46 1nji h ALA 18 N 0.47 1.09 0.00 0.00 0.00 -0.50 -1.72 119.26 118.60 1nji h ALA 18 Ca -0.16 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.29 1nji h ALA 18 Cb 1.89 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.60 1nji h ALA 18 CO 0.22 0.63 -0.02 0.00 0.00 0.00 0.00 179.25 180.08 1nji h ARG 19 N 0.00 0.00 0.00 0.00 3.08 -1.19 -3.37 114.38 112.90 1nji h ARG 19 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1nji h ARG 19 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.99 1nji h ARG 19 CO 0.07 0.40 0.00 0.43 -1.07 0.00 0.00 179.97 179.79 1nji n SER 20 N -4.71 0.00 -4.47 7.04 7.64 -0.87 -4.75 113.62 113.50 1nji n SER 20 Ca -0.04 0.88 -0.29 0.00 1.01 0.00 0.00 58.87 60.43 1nji n SER 20 Cb 0.20 -0.42 0.22 0.00 -1.01 0.00 0.00 64.21 63.20 1nji n SER 20 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1nji s SER 21 N -2.06 1.53 0.00 6.43 0.01 -0.65 -4.88 113.70 114.07 1nji s SER 21 Ca 0.00 1.22 0.25 0.00 1.31 0.00 0.00 55.95 58.74 1nji s SER 21 Cb 0.00 -1.90 1.49 0.00 0.21 0.00 0.00 66.02 65.83 1nji s SER 21 CO 0.00 -3.82 1.87 0.61 0.41 0.00 0.00 173.24 172.31 1nji n GLY 22 N -0.19 -0.82 3.42 3.44 0.00 -1.26 -4.59 105.19 105.19 1nji n GLY 22 Ca 0.05 -0.16 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 1nji n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nji n GLY 23 N 0.60 -1.78 0.00 -0.02 0.00 -1.20 -4.93 105.19 97.86 1nji n GLY 23 Ca 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1nji n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nji n ALA 24 N -1.22 1.66 -0.02 4.61 0.00 -1.26 -4.61 120.51 119.67 1nji n ALA 24 Ca 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.44 1nji n ALA 24 Cb 0.43 0.16 -0.05 0.00 0.00 0.00 0.00 19.45 19.99 1nji n ALA 24 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1nji h VAL 25 N 0.00 1.08 -0.70 0.00 -1.51 -1.91 -1.38 116.25 111.84 1nji h VAL 25 Ca 0.00 -0.23 0.11 0.00 -1.23 0.00 0.00 66.70 65.35 1nji h VAL 25 Cb 0.48 1.00 -0.08 0.00 -2.13 0.00 0.00 31.29 30.56 1nji h VAL 25 CO 0.00 0.08 0.31 -0.50 -1.23 0.00 0.00 177.57 176.22 1nji h TRP 26 N 0.12 0.53 -0.20 5.19 -0.00 -1.87 0.81 115.95 120.54 1nji h TRP 26 Ca 0.05 0.03 -0.10 0.00 -0.00 0.00 0.00 58.89 58.87 1nji h TRP 26 Cb 0.06 -0.13 -0.01 0.00 -0.00 0.00 0.00 29.16 29.07 1nji h TRP 26 CO -0.05 0.14 -0.29 0.78 -0.00 0.00 0.00 178.44 179.02 1nji h GLY 27 N 0.50 0.43 0.68 1.49 0.00 -1.67 0.79 103.07 105.29 1nji h GLY 27 Ca 0.36 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 1nji h GLY 27 CO -0.33 0.33 -0.02 -1.80 0.00 0.00 0.00 176.54 174.73 1nji h ASP 28 N 0.35 0.13 -0.51 0.19 3.58 0.18 -1.78 116.42 118.55 1nji h ASP 28 Ca 0.05 -0.38 -0.03 0.00 0.42 0.00 0.00 57.03 57.09 1nji h ASP 28 Cb 0.69 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.68 1nji h ASP 28 CO 0.05 0.48 0.21 0.58 -2.88 0.00 0.00 179.24 177.68 1nji h VAL 29 N -0.22 1.20 -0.73 2.25 2.07 0.76 -2.27 116.25 119.32 1nji h VAL 29 Ca 0.02 -0.65 -0.05 0.00 0.82 0.00 0.00 66.70 66.83 1nji h VAL 29 Cb 0.42 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 1nji h VAL 29 CO 0.01 0.25 0.25 0.00 0.02 0.00 0.00 177.57 178.10 1nji h ALA 30 N 1.44 0.95 -0.27 1.67 0.00 -0.69 -0.76 119.26 121.60 1nji h ALA 30 Ca 0.19 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1nji h ALA 30 Cb 0.17 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1nji h ALA 30 CO -0.02 0.62 -0.31 0.93 0.00 0.00 0.00 179.25 180.47 1nji h GLU 31 N 1.07 0.56 -0.09 0.00 5.08 -0.83 -1.97 114.58 118.39 1nji h GLU 31 Ca 0.24 -0.24 -0.16 0.00 -1.00 0.00 0.00 59.36 58.19 1nji h GLU 31 Cb 0.28 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1nji h GLU 31 CO -0.01 0.81 -0.64 -0.09 -1.00 0.00 0.00 179.01 178.08 1nji h ARG 32 N 0.48 0.35 0.00 2.33 9.65 -1.11 -2.77 114.38 123.31 1nji h ARG 32 Ca 0.06 -0.25 -0.08 0.00 -1.10 0.00 0.00 59.98 58.60 1nji h ARG 32 Cb 0.78 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.39 1nji h ARG 32 CO 0.06 0.88 -0.38 -0.07 2.80 0.00 0.00 179.97 183.25 1nji h LEU 33 N 0.25 0.00 -1.04 3.80 3.38 -0.92 -2.58 115.31 118.20 1nji h LEU 33 Ca -0.01 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1nji h LEU 33 Cb 1.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1nji h LEU 33 CO 0.11 0.38 -0.32 -0.33 0.09 0.00 0.00 178.44 178.37 1nji h GLU 34 N 0.00 0.00 -7.36 1.13 5.08 -1.10 -3.44 114.58 108.89 1nji h GLU 34 Ca -0.00 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.86 1nji h GLU 34 Cb 0.84 0.00 0.12 0.00 0.50 0.00 0.00 28.75 30.21 1nji h GLU 34 CO 0.05 0.32 0.32 0.15 -1.00 0.00 0.00 179.01 178.85 1nji s LYS 35 N -3.67 2.08 0.15 2.33 1.02 -0.97 -4.95 119.74 115.72 1nji s LYS 35 Ca -0.00 0.85 -0.33 0.00 0.02 0.00 0.00 55.97 56.50 1nji s LYS 35 Cb 0.11 -1.90 -0.17 0.00 -0.52 0.00 0.00 37.83 35.35 1nji s LYS 35 CO 0.67 -1.68 1.06 -2.30 -0.92 0.00 0.00 175.35 172.18 1nji n PRO 36 N -3.50 0.80 -0.37 -1.68 -0.02 -1.26 -4.83 135.00 124.14 1nji n PRO 36 Ca 0.07 0.29 0.28 0.00 -2.02 0.00 0.00 63.50 62.12 1nji n PRO 36 Cb 0.55 -1.72 0.56 0.00 -0.02 0.00 0.00 33.50 32.87 1nji n PRO 36 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nji h ARG 37 N 2.99 0.27 0.00 -0.52 3.08 -1.92 0.14 114.38 118.42 1nji h ARG 37 Ca -0.43 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.61 1nji h ARG 37 Cb 1.37 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.36 1nji h ARG 37 CO 0.67 0.18 -0.00 0.07 -1.07 0.00 0.00 179.97 179.82 1nji h ARG 38 N 0.28 0.00 0.00 0.04 0.11 -2.00 -0.87 114.38 111.93 1nji h ARG 38 Ca 0.69 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.77 1nji h ARG 38 Cb 1.90 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.98 1nji h ARG 38 CO -0.37 0.00 -0.78 0.25 0.10 0.00 0.00 179.97 179.18 1nji n THR 39 N -3.11 0.04 -1.22 0.08 -2.24 0.49 -4.94 114.28 103.37 1nji n THR 39 Ca -0.02 -0.06 -0.32 0.00 -2.27 0.00 0.00 64.05 61.38 1nji n THR 39 Cb 0.11 0.48 0.11 0.00 -2.10 0.00 0.00 70.33 68.92 1nji n THR 39 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1nji s HIS 40 N -3.04 2.14 0.40 4.78 3.76 -0.33 -4.96 115.29 118.04 1nji s HIS 40 Ca 0.08 1.64 -0.23 0.00 -0.15 0.00 0.00 55.06 56.40 1nji s HIS 40 Cb 0.16 -3.28 -0.09 0.00 1.11 0.00 0.00 32.58 30.48 1nji s HIS 40 CO 0.78 -2.33 1.01 0.00 -0.85 0.00 0.00 174.74 173.35 1nji s ALA 41 N -2.46 3.07 -0.33 -1.40 0.00 -1.14 -4.95 121.76 114.54 1nji s ALA 41 Ca 0.68 0.60 -0.01 0.00 0.00 0.00 0.00 51.96 53.22 1nji s ALA 41 Cb -0.23 -3.23 0.12 0.00 0.00 0.00 0.00 23.12 19.79 1nji s ALA 41 CO 0.51 -0.09 0.18 -1.21 0.00 0.00 0.00 175.76 175.15 1nji s GLU 42 N -2.66 0.49 -0.02 0.00 2.02 -1.26 -0.73 118.70 116.54 1nji s GLU 42 Ca 0.59 -1.10 0.02 0.00 0.02 0.00 0.00 54.97 54.50 1nji s GLU 42 Cb -0.18 -1.36 -0.03 0.00 0.10 0.00 0.00 34.13 32.66 1nji s GLU 42 CO 0.23 -1.13 -0.04 0.08 0.02 0.00 0.00 175.26 174.41 1nji s VAL 43 N 1.39 3.85 0.36 2.63 1.01 -0.51 -4.94 120.40 124.19 1nji s VAL 43 Ca 0.15 -0.62 0.07 0.00 0.00 0.00 0.00 61.98 61.58 1nji s VAL 43 Cb -0.21 -2.66 -0.01 0.00 0.00 0.00 0.00 36.38 33.51 1nji s VAL 43 CO -0.13 0.45 0.49 0.20 0.00 0.00 0.00 175.10 176.11 1nji s ASN 44 N -1.28 5.86 0.32 3.32 0.01 -1.26 0.17 114.94 122.09 1nji s ASN 44 Ca 0.16 -0.26 -0.00 0.00 -0.71 0.00 0.00 52.86 52.05 1nji s ASN 44 Cb -0.11 -1.07 0.53 0.00 0.41 0.00 0.00 41.25 41.01 1nji s ASN 44 CO 0.06 -0.51 1.99 -0.07 -1.51 0.00 0.00 177.10 177.06 1nji h LEU 45 N 0.84 0.85 -1.72 0.60 3.38 -0.73 -2.70 115.31 115.84 1nji h LEU 45 Ca -0.44 -0.02 0.24 0.00 0.09 0.00 0.00 57.88 57.75 1nji h LEU 45 Cb 1.26 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.74 1nji h LEU 45 CO 0.51 0.62 0.63 1.23 0.09 0.00 0.00 178.44 181.52 1nji h GLY 46 N 1.00 0.52 1.06 0.83 0.00 -1.72 -0.03 103.07 104.73 1nji h GLY 46 Ca 0.27 -0.10 -0.30 0.00 0.00 0.00 0.00 47.33 47.20 1nji h GLY 46 CO -0.06 -0.02 -1.32 -0.09 0.00 0.00 0.00 176.54 175.06 1nji h ARG 47 N 0.22 0.46 -0.37 4.80 2.43 -1.81 -2.91 114.38 117.20 1nji h ARG 47 Ca 0.47 -0.79 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 1nji h ARG 47 Cb 1.48 0.29 -0.02 0.00 -0.42 0.00 0.00 29.97 31.30 1nji h ARG 47 CO -0.11 1.38 0.24 0.82 -1.51 0.00 0.00 179.97 180.79 1nji h ILE 48 N -0.01 1.10 -0.13 1.20 2.04 -1.37 -1.65 117.51 118.69 1nji h ILE 48 Ca -0.23 -0.20 0.02 0.00 1.00 0.00 0.00 64.86 65.45 1nji h ILE 48 Cb 2.01 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.65 1nji h ILE 48 CO 0.23 0.10 0.09 -0.08 0.00 0.00 0.00 178.15 178.49 1nji h GLU 49 N 0.50 0.09 0.00 2.37 4.57 -1.11 -1.20 114.58 119.80 1nji h GLU 49 Ca 0.14 -0.01 -0.16 0.00 -1.18 0.00 0.00 59.36 58.15 1nji h GLU 49 Cb -0.05 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.50 1nji h GLU 49 CO -0.03 0.06 -0.83 -0.09 -1.18 0.00 0.00 179.01 176.95 1nji h ARG 50 N 0.09 0.00 0.00 1.92 2.43 -1.10 -3.38 114.38 114.34 1nji h ARG 50 Ca 0.06 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1nji h ARG 50 Cb 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1nji h ARG 50 CO -0.01 0.70 0.00 0.66 -1.51 0.00 0.00 179.97 179.81 1nji n TYR 51 N -3.25 0.00 -3.15 2.20 4.02 -0.91 -5.06 117.16 111.02 1nji n TYR 51 Ca -0.00 -0.29 -0.22 0.00 -0.01 0.00 0.00 57.90 57.39 1nji n TYR 51 Cb 0.84 -0.03 0.01 0.00 -0.02 0.00 0.00 39.34 40.14 1nji n TYR 51 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1nji s ALA 52 N -0.57 3.92 -0.05 -0.72 0.00 -0.47 -5.07 121.76 118.79 1nji s ALA 52 Ca 0.00 -1.19 -0.09 0.00 0.00 0.00 0.00 51.96 50.68 1nji s ALA 52 Cb 0.00 -1.98 0.02 0.00 0.00 0.00 0.00 23.12 21.15 1nji s ALA 52 CO 0.00 -0.26 0.22 1.14 0.00 0.00 0.00 175.76 176.86 1nji s GLN 53 N -4.43 0.39 0.64 0.00 -2.07 -1.26 -4.99 119.66 107.95 1nji s GLN 53 Ca 0.47 0.06 -0.18 0.00 -1.82 0.00 0.00 55.36 53.89 1nji s GLN 53 Cb -0.10 0.18 -0.02 0.00 -1.09 0.00 0.00 33.01 31.98 1nji s GLN 53 CO 0.36 -0.08 1.12 0.39 -1.32 0.00 0.00 175.29 175.76 1nji n GLU 54 N 2.29 0.94 -1.24 9.60 1.02 -1.26 -2.67 120.64 129.32 1nji n GLU 54 Ca -0.17 0.37 -0.08 0.00 -0.02 0.00 0.00 57.16 57.26 1nji n GLU 54 Cb 0.57 -2.35 -0.03 0.00 -0.02 0.00 0.00 31.44 29.61 1nji n GLU 54 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1nji n ASP 55 N -1.44 -4.80 -3.80 1.62 8.00 -1.26 -4.96 116.55 109.90 1nji n ASP 55 Ca 0.15 0.20 -0.28 0.00 0.71 0.00 0.00 54.79 55.57 1nji n ASP 55 Cb 0.48 -3.02 -0.16 0.00 -0.02 0.00 0.00 41.12 38.39 1nji n ASP 55 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1nji s GLU 56 N -2.41 0.95 -0.01 -1.24 2.12 -1.09 -4.97 118.70 112.05 1nji s GLU 56 Ca 0.00 -0.49 -0.30 0.00 0.36 0.00 0.00 54.97 54.54 1nji s GLU 56 Cb 0.00 -2.07 -0.06 0.00 0.26 0.00 0.00 34.13 32.26 1nji s GLU 56 CO 0.00 -0.56 1.57 0.99 -0.54 0.00 0.00 175.26 176.71 1nji s THR 57 N 1.75 3.50 -0.07 -1.70 2.01 -0.59 -4.58 115.64 115.95 1nji s THR 57 Ca -0.01 0.79 -0.30 0.00 0.31 0.00 0.00 61.69 62.48 1nji s THR 57 Cb -0.17 -3.51 -0.02 0.00 0.01 0.00 0.00 72.50 68.82 1nji s THR 57 CO -0.07 -0.03 0.99 -0.69 -0.69 0.00 0.00 174.62 174.13 1nji s VAL 58 N 3.16 4.82 -0.24 3.82 1.01 0.14 -0.80 120.40 132.32 1nji s VAL 58 Ca 0.70 2.05 -0.01 0.00 0.00 0.00 0.00 61.98 64.72 1nji s VAL 58 Cb -0.34 -4.32 0.03 0.00 0.00 0.00 0.00 36.38 31.75 1nji s VAL 58 CO 0.29 0.06 -0.09 -0.69 0.00 0.00 0.00 175.10 174.67 1nji s VAL 59 N 1.63 2.69 -0.37 2.92 1.01 0.41 0.20 120.40 128.89 1nji s VAL 59 Ca 0.50 -1.04 -0.12 0.00 0.00 0.00 0.00 61.98 61.32 1nji s VAL 59 Cb -0.19 -2.34 0.01 0.00 0.00 0.00 0.00 36.38 33.86 1nji s VAL 59 CO 0.22 0.25 0.22 -0.69 0.00 0.00 0.00 175.10 175.10 1nji s VAL 60 N 1.31 4.86 -0.35 2.92 1.01 0.22 -1.56 120.40 128.80 1nji s VAL 60 Ca 0.00 -0.63 -0.06 0.00 0.00 0.00 0.00 61.98 61.30 1nji s VAL 60 Cb -0.16 -3.63 -0.20 0.00 0.00 0.00 0.00 36.38 32.39 1nji s VAL 60 CO -0.06 -0.16 3.15 -0.81 0.00 0.00 0.00 175.10 177.22 1nji n PRO 61 N 5.05 2.14 0.00 2.72 -0.04 -1.26 -3.79 135.00 139.82 1nji n PRO 61 Ca -0.12 -1.16 0.00 0.00 -0.04 0.00 0.00 63.50 62.18 1nji n PRO 61 Cb 0.47 -2.13 0.00 0.00 -0.04 0.00 0.00 33.50 31.81 1nji n PRO 61 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nji n GLY 62 N 2.81 0.11 3.03 0.55 0.00 -1.26 -2.89 105.19 107.54 1nji n GLY 62 Ca 0.46 0.47 -0.19 0.00 0.00 0.00 0.00 46.02 46.76 1nji n GLY 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1nji s LYS 63 N 3.46 0.76 -0.11 1.61 2.20 0.09 -0.41 119.74 127.34 1nji s LYS 63 Ca 0.00 -0.34 -0.10 0.00 -0.36 0.00 0.00 55.97 55.17 1nji s LYS 63 Cb 0.00 -0.74 -0.05 0.00 -1.51 0.00 0.00 37.83 35.54 1nji s LYS 63 CO 0.00 0.20 0.21 0.08 -0.36 0.00 0.00 175.35 175.48 1nji s VAL 64 N -0.23 5.37 0.09 4.02 1.01 -0.33 -1.42 120.40 128.91 1nji s VAL 64 Ca 0.04 0.38 0.10 0.00 0.00 0.00 0.00 61.98 62.49 1nji s VAL 64 Cb -0.04 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 1nji s VAL 64 CO -0.00 0.56 -0.26 -0.76 0.00 0.00 0.00 175.10 174.63 1nji s LEU 65 N -0.69 2.27 0.00 3.92 1.43 0.45 -1.67 118.68 124.39 1nji s LEU 65 Ca 0.16 -0.68 0.00 0.00 -1.03 0.00 0.00 54.13 52.58 1nji s LEU 65 Cb -0.13 -1.26 0.00 0.00 0.03 0.00 0.00 46.19 44.83 1nji s LEU 65 CO 0.05 0.21 0.37 0.61 0.23 0.00 0.00 176.35 177.82 1nji n GLY 66 N 1.28 1.09 3.82 -3.19 0.00 -1.26 -2.23 105.19 104.69 1nji n GLY 66 Ca -0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 1nji n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nji s SER 67 N -0.25 7.03 0.00 1.61 0.01 -1.26 -4.80 113.70 116.04 1nji s SER 67 Ca 0.00 1.54 0.00 0.00 1.31 0.00 0.00 55.95 58.80 1nji s SER 67 Cb 0.00 -2.47 0.00 0.00 0.21 0.00 0.00 66.02 63.76 1nji s SER 67 CO 0.00 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.13 1nji n GLY 68 N 0.14 -2.68 3.32 3.44 0.00 -1.26 -1.31 105.19 106.83 1nji n GLY 68 Ca 0.02 -1.69 -0.31 0.00 0.00 0.00 0.00 46.02 44.03 1nji n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nji s VAL 69 N -0.74 2.22 -0.15 1.61 1.01 -1.26 -4.65 120.40 118.43 1nji s VAL 69 Ca 0.00 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 60.97 1nji s VAL 69 Cb 0.00 -1.80 0.01 0.00 0.00 0.00 0.00 36.38 34.59 1nji s VAL 69 CO 0.00 0.58 -0.21 -0.22 0.00 0.00 0.00 175.10 175.24 1nji s LEU 70 N -0.40 2.13 -0.07 3.92 2.96 -1.26 -4.46 118.68 121.49 1nji s LEU 70 Ca 0.04 -0.61 0.04 0.00 -0.22 0.00 0.00 54.13 53.37 1nji s LEU 70 Cb -0.12 -1.46 -0.07 0.00 0.50 0.00 0.00 46.19 45.04 1nji s LEU 70 CO 0.01 0.06 -0.01 0.00 -1.32 0.00 0.00 176.35 175.09 1nji n GLN 71 N 4.24 1.93 -1.72 1.98 6.02 -1.26 -4.86 117.38 123.71 1nji n GLN 71 Ca -0.20 0.02 -0.42 0.00 -0.01 0.00 0.00 57.00 56.38 1nji n GLN 71 Cb 0.51 -1.17 -0.00 0.00 1.02 0.00 0.00 30.24 30.60 1nji n GLN 71 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1nji n LYS 72 N -2.43 2.23 -2.69 -1.09 5.02 -1.26 -4.88 118.16 113.06 1nji n LYS 72 Ca -0.12 0.78 -0.43 0.00 -2.02 0.00 0.00 58.31 56.52 1nji n LYS 72 Cb 0.70 -2.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.29 1nji n LYS 72 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1nji n ASP 73 N 0.60 5.08 -4.64 4.39 2.03 -1.25 -4.54 116.55 118.22 1nji n ASP 73 Ca 0.04 -2.99 -0.23 0.00 0.52 0.00 0.00 54.79 52.13 1nji n ASP 73 Cb 0.37 -1.58 -0.07 0.00 -0.72 0.00 0.00 41.12 39.12 1nji n ASP 73 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1nji s VAL 74 N 1.77 3.34 -0.25 5.18 -7.23 -1.26 -4.60 120.40 117.35 1nji s VAL 74 Ca 0.44 -1.94 -0.09 0.00 -1.81 0.00 0.00 61.98 58.58 1nji s VAL 74 Cb 0.02 -2.81 -0.04 0.00 0.56 0.00 0.00 36.38 34.11 1nji s VAL 74 CO 0.01 -0.36 0.12 -0.89 -0.31 0.00 0.00 175.10 173.67 1nji s THR 75 N -2.35 4.80 -0.13 5.32 2.01 -1.26 -1.75 115.64 122.28 1nji s THR 75 Ca 0.32 -0.01 -0.02 0.00 0.31 0.00 0.00 61.69 62.28 1nji s THR 75 Cb -0.06 -3.25 -0.03 0.00 0.01 0.00 0.00 72.50 69.17 1nji s THR 75 CO 0.20 0.32 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.72 1nji s VAL 76 N 1.46 3.86 -0.15 3.82 1.01 -0.23 -0.68 120.40 129.49 1nji s VAL 76 Ca 0.06 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 61.67 1nji s VAL 76 Cb -0.15 -2.66 0.01 0.00 0.00 0.00 0.00 36.38 33.59 1nji s VAL 76 CO 0.06 0.53 -0.20 0.00 0.00 0.00 0.00 175.10 175.48 1nji s ALA 77 N 0.00 2.21 0.26 5.51 0.00 0.13 0.16 121.76 130.04 1nji s ALA 77 Ca 0.00 -1.10 -0.00 0.00 0.00 0.00 0.00 51.96 50.87 1nji s ALA 77 Cb -0.13 -1.05 -0.03 0.00 0.00 0.00 0.00 23.12 21.91 1nji s ALA 77 CO 0.03 -0.16 0.25 0.00 0.00 0.00 0.00 175.76 175.88 1nji s ALA 78 N 1.03 1.16 0.22 0.00 0.00 -1.08 -0.61 121.76 122.47 1nji s ALA 78 Ca -0.02 -1.69 -0.00 0.00 0.00 0.00 0.00 51.96 50.24 1nji s ALA 78 Cb -0.14 1.35 0.19 0.00 0.00 0.00 0.00 23.12 24.52 1nji s ALA 78 CO -0.06 -0.67 1.55 0.28 0.00 0.00 0.00 175.76 176.86 1nji h VAL 79 N 2.38 1.33 -1.62 0.00 2.07 -0.83 -2.81 116.25 116.78 1nji h VAL 79 Ca -0.31 -1.79 0.16 0.00 0.82 0.00 0.00 66.70 65.58 1nji h VAL 79 Cb 1.24 1.80 -0.21 0.00 -1.52 0.00 0.00 31.29 32.60 1nji h VAL 79 CO 0.44 0.55 0.66 -0.62 0.02 0.00 0.00 177.57 178.63 1nji s ASP 80 N -6.90 -0.26 0.12 0.57 2.15 -1.18 -4.86 116.67 106.31 1nji s ASP 80 Ca -0.06 0.16 0.08 0.00 0.43 0.00 0.00 52.55 53.16 1nji s ASP 80 Cb 0.12 0.24 -0.04 0.00 -0.30 0.00 0.00 42.92 42.94 1nji s ASP 80 CO 0.82 -0.33 -0.21 -0.36 -0.17 0.00 0.00 175.17 174.92 1nji s PHE 81 N -1.88 1.84 0.84 -5.34 0.40 -1.26 -1.19 117.98 111.38 1nji s PHE 81 Ca 0.04 -0.42 -0.11 0.00 -0.60 0.00 0.00 56.93 55.83 1nji s PHE 81 Cb -0.01 -0.99 0.09 0.00 0.51 0.00 0.00 43.02 42.63 1nji s PHE 81 CO -0.04 0.24 1.09 -1.54 0.70 0.00 0.00 175.22 175.68 1nji s SER 82 N -2.07 4.04 0.28 1.36 1.04 -0.67 -4.81 113.70 112.87 1nji s SER 82 Ca 0.09 1.45 -0.03 0.00 0.48 0.00 0.00 55.95 57.94 1nji s SER 82 Cb -0.09 -2.16 0.39 0.00 0.10 0.00 0.00 66.02 64.25 1nji s SER 82 CO 0.05 -2.27 1.89 1.23 0.98 0.00 0.00 173.24 175.12 1nji h GLY 83 N -1.30 1.09 0.90 7.32 0.00 -2.00 -2.22 103.07 106.87 1nji h GLY 83 Ca -0.48 -0.50 -0.09 0.00 0.00 0.00 0.00 47.33 46.26 1nji h GLY 83 CO 0.56 0.48 -0.20 -0.84 0.00 0.00 0.00 176.54 176.54 1nji h THR 84 N 1.02 1.31 0.29 4.70 2.02 -1.96 -2.77 112.91 117.51 1nji h THR 84 Ca 0.25 -1.34 -0.00 0.00 0.77 0.00 0.00 66.41 66.09 1nji h THR 84 Cb 0.07 1.61 -0.03 0.00 -1.74 0.00 0.00 68.15 68.06 1nji h THR 84 CO -0.04 0.42 -0.45 0.00 0.37 0.00 0.00 175.52 175.83 1nji h ALA 85 N 0.70 -1.03 -0.43 6.16 0.00 -1.82 -0.48 119.26 122.35 1nji h ALA 85 Ca 0.05 -0.14 0.13 0.00 0.00 0.00 0.00 54.91 54.95 1nji h ALA 85 Cb 0.75 0.74 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 1nji h ALA 85 CO 0.05 -1.10 0.42 1.49 0.00 0.00 0.00 179.25 180.12 1nji h GLU 86 N -0.78 0.00 0.08 0.00 4.81 -1.46 -0.62 114.58 116.63 1nji h GLU 86 Ca -0.03 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.04 1nji h GLU 86 Cb 0.71 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.11 1nji h GLU 86 CO -0.14 0.00 -0.65 1.15 -0.73 0.00 0.00 179.01 178.64 1nji h THR 87 N 0.00 1.52 -0.59 0.32 2.02 -0.98 -2.90 112.91 112.30 1nji h THR 87 Ca 0.21 -2.36 -0.05 0.00 0.77 0.00 0.00 66.41 64.97 1nji h THR 87 Cb 1.05 3.04 -0.02 0.00 -1.74 0.00 0.00 68.15 70.47 1nji h THR 87 CO -0.00 0.67 0.18 0.11 0.37 0.00 0.00 175.52 176.85 1nji h LYS 88 N -0.36 0.92 -0.29 6.66 1.57 0.05 -3.08 116.57 122.03 1nji h LYS 88 Ca -0.11 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.45 1nji h LYS 88 Cb 1.46 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.63 1nji h LYS 88 CO 0.12 0.83 0.10 0.82 -0.57 0.00 0.00 179.45 180.75 1nji h ILE 89 N 0.84 1.19 0.00 1.86 2.04 -1.27 -2.68 117.51 119.48 1nji h ILE 89 Ca 0.19 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.45 1nji h ILE 89 Cb 0.29 1.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 1nji h ILE 89 CO -0.01 0.20 0.00 0.47 0.00 0.00 0.00 178.15 178.82 1nji n ASP 90 N -4.72 0.16 0.13 1.72 8.00 -1.09 0.92 116.55 121.66 1nji n ASP 90 Ca -0.02 0.55 0.01 0.00 0.71 0.00 0.00 54.79 56.04 1nji n ASP 90 Cb 0.15 -0.58 0.06 0.00 -0.02 0.00 0.00 41.12 40.73 1nji n ASP 90 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1nji h GLN 91 N 0.00 0.00 0.00 -1.24 4.20 -1.39 -3.37 115.11 113.31 1nji h GLN 91 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1nji h GLN 91 Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1nji h GLN 91 CO 0.00 0.57 -0.10 1.33 -0.67 0.00 0.00 178.83 179.96 1nji n VAL 92 N -3.31 0.00 0.00 -0.54 0.24 -0.85 -5.10 118.33 108.77 1nji n VAL 92 Ca 0.01 -0.31 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 1nji n VAL 92 Cb 0.73 0.91 0.00 0.00 -1.47 0.00 0.00 33.84 34.01 1nji n VAL 92 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1nji n GLY 93 N 0.87 4.05 2.98 7.63 0.00 0.26 -3.89 105.19 117.09 1nji n GLY 93 Ca 0.00 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.59 1nji n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nji s GLU 94 N 4.62 0.14 -0.19 1.61 2.12 -0.72 -4.25 118.70 122.03 1nji s GLU 94 Ca 0.00 0.43 -0.14 0.00 0.36 0.00 0.00 54.97 55.62 1nji s GLU 94 Cb 0.00 -0.15 -0.04 0.00 0.26 0.00 0.00 34.13 34.20 1nji s GLU 94 CO 0.00 -0.16 0.32 0.00 -0.54 0.00 0.00 175.26 174.88 1nji s ALA 95 N 1.17 3.58 0.03 6.30 0.00 -1.26 -1.06 121.76 130.51 1nji s ALA 95 Ca -0.09 -0.56 0.04 0.00 0.00 0.00 0.00 51.96 51.35 1nji s ALA 95 Cb -0.11 -2.49 -0.02 0.00 0.00 0.00 0.00 23.12 20.50 1nji s ALA 95 CO -0.07 -0.14 -0.12 0.08 0.00 0.00 0.00 175.76 175.52 1nji s VAL 96 N 0.96 0.90 0.45 0.00 1.01 0.12 -4.95 120.40 118.90 1nji s VAL 96 Ca 0.16 -0.83 -0.21 0.00 0.00 0.00 0.00 61.98 61.10 1nji s VAL 96 Cb -0.14 -0.82 -0.09 0.00 0.00 0.00 0.00 36.38 35.33 1nji s VAL 96 CO 0.06 -0.00 1.01 -0.94 0.00 0.00 0.00 175.10 175.23 1nji s SER 97 N -0.94 6.59 0.65 3.32 1.04 -1.26 -2.65 113.70 120.45 1nji s SER 97 Ca 0.00 1.88 0.43 0.00 0.48 0.00 0.00 55.95 58.74 1nji s SER 97 Cb -0.07 -2.56 2.28 0.00 0.10 0.00 0.00 66.02 65.77 1nji s SER 97 CO 0.01 -0.61 2.32 0.25 0.98 0.00 0.00 173.24 176.19 1nji h LEU 98 N 1.84 0.00 -0.32 2.42 5.85 -1.83 0.20 115.31 123.47 1nji h LEU 98 Ca -0.49 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.03 1nji h LEU 98 Cb 1.21 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 1nji h LEU 98 CO 0.60 0.00 -0.83 -0.33 -0.34 0.00 0.00 178.44 177.54 1nji h GLU 99 N 0.00 0.31 0.01 1.25 3.07 -1.90 -2.06 114.58 115.25 1nji h GLU 99 Ca -0.00 -0.30 -0.25 0.00 -0.50 0.00 0.00 59.36 58.32 1nji h GLU 99 Cb 0.08 0.08 0.02 0.00 -0.84 0.00 0.00 28.75 28.08 1nji h GLU 99 CO 0.00 0.98 -0.97 1.96 -1.40 0.00 0.00 179.01 179.58 1nji h GLN 100 N 0.19 0.64 0.10 2.33 4.20 -1.38 -3.11 115.11 118.08 1nji h GLN 100 Ca -0.05 -0.70 0.02 0.00 0.06 0.00 0.00 58.65 57.99 1nji h GLN 100 Cb 1.43 0.20 -0.05 0.00 0.30 0.00 0.00 27.48 29.37 1nji h GLN 100 CO 0.13 1.29 -0.38 0.00 -0.67 0.00 0.00 178.83 179.20 1nji h ALA 101 N 0.37 -0.66 -1.12 3.87 0.00 -1.21 0.12 119.26 120.62 1nji h ALA 101 Ca -0.12 -0.06 0.33 0.00 0.00 0.00 0.00 54.91 55.05 1nji h ALA 101 Cb 1.63 0.65 -0.04 0.00 0.00 0.00 0.00 17.79 20.02 1nji h ALA 101 CO 0.19 -0.94 0.83 0.82 0.00 0.00 0.00 179.25 180.15 1nji h ILE 102 N -0.61 0.40 0.00 0.00 2.04 -1.41 0.31 117.51 118.25 1nji h ILE 102 Ca 0.03 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.80 1nji h ILE 102 Cb 0.64 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1nji h ILE 102 CO -0.23 0.00 -0.47 -0.08 0.00 0.00 0.00 178.15 177.37 1nji h GLU 103 N 0.00 0.00 0.00 2.37 4.81 -0.83 -2.83 114.58 118.10 1nji h GLU 103 Ca 0.53 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.76 1nji h GLU 103 Cb 2.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.57 1nji h GLU 103 CO -0.01 1.00 0.00 0.09 -0.73 0.00 0.00 179.01 179.37 1nji n ASN 104 N -4.54 0.00 -2.73 1.04 3.02 0.17 -4.17 115.26 108.05 1nji n ASN 104 Ca -0.18 0.04 -0.07 0.00 -0.03 0.00 0.00 54.58 54.34 1nji n ASN 104 Cb 0.56 -0.30 0.06 0.00 -0.61 0.00 0.00 39.78 39.49 1nji n ASN 104 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1nji n ASN 105 N -1.30 -2.51 0.18 6.41 5.15 0.03 -5.00 115.26 118.22 1nji n ASN 105 Ca 0.09 -2.99 0.13 0.00 -0.60 0.00 0.00 54.58 51.22 1nji n ASN 105 Cb 0.15 1.60 0.62 0.00 -0.53 0.00 0.00 39.78 41.62 1nji n ASN 105 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1nji h PRO 106 N 3.74 0.00 0.00 1.20 0.13 -1.66 -1.09 132.00 134.32 1nji h PRO 106 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1nji h PRO 106 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1nji h PRO 106 CO 0.20 0.00 -0.23 0.39 -0.23 0.00 0.00 178.00 178.14 1nji n GLU 107 N -2.45 0.03 -3.58 0.86 4.71 -1.26 -3.88 120.64 115.08 1nji n GLU 107 Ca 0.00 0.02 -0.26 0.00 -0.01 0.00 0.00 57.16 56.91 1nji n GLU 107 Cb 0.16 -1.53 0.04 0.00 -1.01 0.00 0.00 31.44 29.11 1nji n GLU 107 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1nji n GLY 108 N 1.48 -1.07 3.66 0.62 0.00 -0.41 -3.22 105.19 106.25 1nji n GLY 108 Ca 0.06 0.49 -0.26 0.00 0.00 0.00 0.00 46.02 46.30 1nji n GLY 108 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nji s SER 109 N -3.36 4.76 -1.30 1.61 1.04 -1.26 -4.66 113.70 110.53 1nji s SER 109 Ca 0.38 -0.41 -0.03 0.00 0.48 0.00 0.00 55.95 56.38 1nji s SER 109 Cb -0.12 -1.01 -0.00 0.00 0.10 0.00 0.00 66.02 64.98 1nji s SER 109 CO 0.84 0.09 0.65 1.41 0.98 0.00 0.00 173.24 177.20 1nji n HIS 110 N -0.16 -1.86 -4.62 5.02 8.25 -1.26 -4.85 115.22 115.74 1nji n HIS 110 Ca -0.10 0.77 -0.27 0.00 -0.26 0.00 0.00 57.72 57.87 1nji n HIS 110 Cb 0.55 -4.11 -0.14 0.00 1.12 0.00 0.00 29.99 27.41 1nji n HIS 110 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1nji s VAL 111 N -3.71 1.89 -0.14 1.59 0.11 -1.26 -1.55 120.40 117.33 1nji s VAL 111 Ca 0.07 -1.39 -0.00 0.00 -2.93 0.00 0.00 61.98 57.73 1nji s VAL 111 Cb -0.02 -1.65 0.03 0.00 -1.53 0.00 0.00 36.38 33.20 1nji s VAL 111 CO 0.83 0.19 -0.09 -0.60 -3.33 0.00 0.00 175.10 172.10 1nji s ARG 112 N -1.45 1.80 -0.03 1.54 6.06 0.02 -4.93 118.95 121.96 1nji s ARG 112 Ca 0.09 -0.44 -0.29 0.00 -2.50 0.00 0.00 55.73 52.59 1nji s ARG 112 Cb -0.09 -1.89 -0.03 0.00 0.06 0.00 0.00 34.95 33.00 1nji s ARG 112 CO 0.03 -0.30 0.94 0.08 -2.50 0.00 0.00 175.30 173.55 1nji s VAL 113 N 1.60 4.88 -0.05 7.11 1.01 -1.26 -0.44 120.40 133.25 1nji s VAL 113 Ca 0.04 1.95 0.02 0.00 0.00 0.00 0.00 61.98 63.99 1nji s VAL 113 Cb -0.13 -4.27 0.01 0.00 0.00 0.00 0.00 36.38 31.99 1nji s VAL 113 CO -0.09 0.14 -0.10 -0.63 0.00 0.00 0.00 175.10 174.42 1nji s ILE 114 N 1.18 0.96 0.00 2.22 -1.09 -0.60 -4.93 121.20 118.95 1nji s ILE 114 Ca 0.49 -0.39 0.00 0.00 -2.23 0.00 0.00 60.65 58.51 1nji s ILE 114 Cb -0.20 -0.89 0.00 0.00 -1.58 0.00 0.00 42.46 39.79 1nji s ILE 114 CO 0.24 0.31 0.10 -2.11 -1.23 0.00 0.00 174.94 172.25