#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nji s GLU 2 N 0.00 4.43 0.25 0.03 2.02 -1.26 -4.96 118.70 119.21 1nji s GLU 2 Ca 0.00 1.71 -0.31 0.00 0.02 0.00 0.00 54.97 56.39 1nji s GLU 2 Cb 0.00 -2.93 -0.13 0.00 0.10 0.00 0.00 34.13 31.17 1nji s GLU 2 CO 0.00 0.05 1.43 0.00 0.02 0.00 0.00 175.26 176.76 1nji n ALA 3 N 0.68 1.38 0.13 5.21 0.00 -1.26 -4.87 120.51 121.78 1nji n ALA 3 Ca 0.01 0.40 -0.01 0.00 0.00 0.00 0.00 53.44 53.84 1nji n ALA 3 Cb 0.46 -2.31 0.23 0.00 0.00 0.00 0.00 19.45 17.84 1nji n ALA 3 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1nji h LEU 4 N 4.22 0.12 -0.32 0.00 3.38 -1.93 -3.47 115.31 117.31 1nji h LEU 4 Ca -0.45 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1nji h LEU 4 Cb 1.27 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1nji h LEU 4 CO 0.76 0.59 0.00 0.61 0.09 0.00 0.00 178.44 180.48 1nji n GLY 5 N -0.08 0.74 3.64 0.83 0.00 -1.26 -4.71 105.19 104.35 1nji n GLY 5 Ca -0.02 -0.70 -0.04 0.00 0.00 0.00 0.00 46.02 45.27 1nji n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nji s ALA 6 N -2.32 -2.14 -0.08 4.61 0.00 -1.26 -4.40 121.76 116.17 1nji s ALA 6 Ca 0.00 1.76 -0.20 0.00 0.00 0.00 0.00 51.96 53.52 1nji s ALA 6 Cb 0.00 -1.57 -0.04 0.00 0.00 0.00 0.00 23.12 21.50 1nji s ALA 6 CO 0.00 -0.18 0.57 -0.51 0.00 0.00 0.00 175.76 175.64 1nji s ASP 7 N -0.40 6.83 -0.03 0.00 1.01 -0.09 -4.91 116.67 119.08 1nji s ASP 7 Ca 0.07 0.99 0.07 0.00 0.71 0.00 0.00 52.55 54.39 1nji s ASP 7 Cb -0.03 -2.34 -0.02 0.00 1.01 0.00 0.00 42.92 41.54 1nji s ASP 7 CO -0.11 -0.02 -0.22 -0.69 0.21 0.00 0.00 175.17 174.35 1nji s VAL 8 N 0.53 2.40 -0.44 -1.27 1.01 -1.26 -0.46 120.40 120.90 1nji s VAL 8 Ca 0.31 -0.98 -0.10 0.00 0.00 0.00 0.00 61.98 61.20 1nji s VAL 8 Cb -0.16 -1.87 0.09 0.00 0.00 0.00 0.00 36.38 34.43 1nji s VAL 8 CO 0.14 0.58 0.31 -0.89 0.00 0.00 0.00 175.10 175.24 1nji s THR 9 N -0.65 4.41 0.05 3.92 2.01 -1.26 -5.03 115.64 119.08 1nji s THR 9 Ca 0.11 -1.43 -0.36 0.00 0.31 0.00 0.00 61.69 60.31 1nji s THR 9 Cb -0.10 -3.73 -0.15 0.00 0.01 0.00 0.00 72.50 68.52 1nji s THR 9 CO -0.00 -0.59 1.49 0.00 -0.69 0.00 0.00 174.62 174.83 1nji n GLN 10 N 4.97 1.48 0.00 4.92 3.00 -1.26 -4.82 117.38 125.66 1nji n GLN 10 Ca -0.10 0.54 0.08 0.00 -0.01 0.00 0.00 57.00 57.50 1nji n GLN 10 Cb 0.42 -2.23 0.07 0.00 0.00 0.00 0.00 30.24 28.50 1nji n GLN 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1nji n GLY 11 N 3.10 0.16 3.51 1.08 0.00 -1.16 -4.87 105.19 107.01 1nji n GLY 11 Ca 0.19 -0.46 -0.25 0.00 0.00 0.00 0.00 46.02 45.51 1nji n GLY 11 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nji s LEU 12 N -1.35 2.66 0.12 0.99 1.43 0.12 -4.93 118.68 117.72 1nji s LEU 12 Ca 0.19 -1.17 -0.02 0.00 -1.03 0.00 0.00 54.13 52.10 1nji s LEU 12 Cb 0.13 -0.94 -0.04 0.00 0.03 0.00 0.00 46.19 45.38 1nji s LEU 12 CO 0.20 -0.19 0.06 -1.61 0.23 0.00 0.00 176.35 175.04 1nji s GLU 13 N -3.62 0.88 0.20 1.70 2.02 -1.26 -1.00 118.70 117.61 1nji s GLU 13 Ca 0.31 -1.37 -0.33 0.00 0.02 0.00 0.00 54.97 53.60 1nji s GLU 13 Cb 0.02 0.25 -0.13 0.00 0.10 0.00 0.00 34.13 34.36 1nji s GLU 13 CO 0.15 -0.24 1.53 1.17 0.02 0.00 0.00 175.26 177.89 1nji n LYS 14 N -0.06 2.17 -0.04 1.61 4.81 -0.52 -1.05 118.16 125.09 1nji n LYS 14 Ca -0.07 0.78 0.00 0.00 -0.87 0.00 0.00 58.31 58.15 1nji n LYS 14 Cb 0.63 -2.52 0.00 0.00 0.02 0.00 0.00 35.03 33.16 1nji n LYS 14 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1nji n GLY 15 N 2.94 0.75 3.78 3.14 0.00 0.50 -4.97 105.19 111.33 1nji n GLY 15 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 1nji n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nji s SER 16 N -2.59 5.69 -0.21 1.61 0.01 -0.21 -4.70 113.70 113.30 1nji s SER 16 Ca 0.00 2.12 -0.06 0.00 1.31 0.00 0.00 55.95 59.32 1nji s SER 16 Cb 0.00 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.63 1nji s SER 16 CO 0.00 -1.24 0.03 -0.76 0.41 0.00 0.00 173.24 171.69 1nji s LEU 17 N -3.94 3.45 0.25 2.44 1.43 -1.26 -1.23 118.68 119.82 1nji s LEU 17 Ca 0.71 -0.13 0.03 0.00 -1.03 0.00 0.00 54.13 53.72 1nji s LEU 17 Cb -0.22 -1.88 -0.05 0.00 0.03 0.00 0.00 46.19 44.06 1nji s LEU 17 CO 0.29 0.07 0.03 0.27 0.23 0.00 0.00 176.35 177.24 1nji s ILE 18 N 0.96 0.95 0.27 -0.59 -4.36 0.98 -4.96 121.20 114.45 1nji s ILE 18 Ca 0.03 -2.02 -0.29 0.00 -0.26 0.00 0.00 60.65 58.11 1nji s ILE 18 Cb -0.14 -2.49 -0.09 0.00 1.25 0.00 0.00 42.46 40.99 1nji s ILE 18 CO 0.02 -0.19 0.94 -0.89 0.24 0.00 0.00 174.94 175.05 1nji s THR 19 N -3.47 4.13 -0.65 8.37 2.01 -0.61 -0.12 115.64 125.29 1nji s THR 19 Ca 0.32 1.99 -0.18 0.00 0.31 0.00 0.00 61.69 64.13 1nji s THR 19 Cb 0.07 -4.22 0.13 0.00 0.01 0.00 0.00 72.50 68.48 1nji s THR 19 CO 0.11 0.38 0.72 0.00 -0.69 0.00 0.00 174.62 175.14 1nji n ALA 21 N 5.87 6.66 -3.45 0.00 0.00 0.05 -4.81 120.51 124.83 1nji n ALA 21 Ca -0.04 -3.23 0.01 0.00 0.00 0.00 0.00 53.44 50.18 1nji n ALA 21 Cb 0.43 -3.32 0.02 0.00 0.00 0.00 0.00 19.45 16.58 1nji n ALA 21 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1nji n ASP 22 N 4.06 -1.19 -2.02 0.00 5.68 -1.26 -2.23 116.55 119.59 1nji n ASP 22 Ca 0.68 -1.78 -0.25 0.00 -0.50 0.00 0.00 54.79 52.94 1nji n ASP 22 Cb 0.23 1.97 0.07 0.00 -1.14 0.00 0.00 41.12 42.24 1nji n ASP 22 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1nji n ASN 23 N -1.22 5.54 0.11 -1.12 6.94 -0.78 -4.68 115.26 120.05 1nji n ASN 23 Ca -0.04 -3.77 0.13 0.00 -0.02 0.00 0.00 54.58 50.88 1nji n ASN 23 Cb 0.32 -0.60 0.42 0.00 -2.36 0.00 0.00 39.78 37.56 1nji n ASN 23 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1nji n THR 24 N -0.84 0.62 0.00 5.53 -2.24 -1.26 -4.75 114.28 111.34 1nji n THR 24 Ca 0.49 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 62.07 1nji n THR 24 Cb 0.88 -0.68 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 1nji n THR 24 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nji n GLY 25 N 1.10 0.60 3.60 3.38 0.00 -1.26 -4.99 105.19 107.63 1nji n GLY 25 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 1nji n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nji s ALA 26 N -2.00 3.47 -0.24 4.61 0.00 -1.26 -0.39 121.76 125.94 1nji s ALA 26 Ca 0.00 -0.94 -0.17 0.00 0.00 0.00 0.00 51.96 50.85 1nji s ALA 26 Cb 0.00 -2.22 -0.14 0.00 0.00 0.00 0.00 23.12 20.77 1nji s ALA 26 CO 0.00 -0.23 -0.14 0.54 0.00 0.00 0.00 175.76 175.92 1nji n ARG 27 N 4.38 0.57 -4.71 0.00 1.74 0.45 -4.56 116.66 114.54 1nji n ARG 27 Ca -0.15 0.39 -0.33 0.00 -0.77 0.00 0.00 57.85 56.98 1nji n ARG 27 Cb 0.52 -1.59 -0.15 0.00 -1.02 0.00 0.00 32.46 30.22 1nji n ARG 27 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1nji s GLU 28 N -2.47 3.24 0.02 5.56 2.12 -0.94 -1.21 118.70 125.02 1nji s GLU 28 Ca -0.33 -0.75 0.04 0.00 0.36 0.00 0.00 54.97 54.29 1nji s GLU 28 Cb 0.10 -2.57 -0.03 0.00 0.26 0.00 0.00 34.13 31.88 1nji s GLU 28 CO 0.51 0.10 -0.09 -0.51 -0.54 0.00 0.00 175.26 174.72 1nji s LEU 29 N 0.61 3.06 -0.18 2.70 1.43 0.83 -0.37 118.68 126.77 1nji s LEU 29 Ca -0.09 -0.22 -0.01 0.00 -1.03 0.00 0.00 54.13 52.78 1nji s LEU 29 Cb -0.16 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 44.29 1nji s LEU 29 CO 0.03 0.26 -0.13 -0.75 0.23 0.00 0.00 176.35 175.99 1nji s LYS 30 N -1.52 3.21 0.26 1.70 2.20 -0.35 -0.01 119.74 125.23 1nji s LYS 30 Ca 0.17 -0.73 -0.30 0.00 -0.36 0.00 0.00 55.97 54.75 1nji s LYS 30 Cb -0.11 -2.73 -0.10 0.00 -1.51 0.00 0.00 37.83 33.38 1nji s LYS 30 CO 0.08 -0.10 1.47 0.08 -0.36 0.00 0.00 175.35 176.52 1nji s VAL 31 N 1.13 2.55 -0.02 4.02 1.01 -0.36 -1.83 120.40 126.88 1nji s VAL 31 Ca 0.01 0.46 -0.00 0.00 0.00 0.00 0.00 61.98 62.45 1nji s VAL 31 Cb -0.14 -3.29 -0.01 0.00 0.00 0.00 0.00 36.38 32.93 1nji s VAL 31 CO -0.04 0.07 -0.02 -0.38 0.00 0.00 0.00 175.10 174.73 1nji n ILE 32 N 2.30 0.13 -3.90 2.22 5.41 -0.37 -0.37 119.36 124.78 1nji n ILE 32 Ca 0.07 -0.05 -0.09 0.00 1.00 0.00 0.00 62.75 63.68 1nji n ILE 32 Cb 0.40 -0.70 -0.05 0.00 -0.71 0.00 0.00 39.64 38.58 1nji n ILE 32 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1nji s SER 33 N -4.34 -0.13 -0.22 4.38 0.01 -1.12 -4.78 113.70 107.49 1nji s SER 33 Ca -0.03 -0.75 0.02 0.00 1.31 0.00 0.00 55.95 56.50 1nji s SER 33 Cb 0.01 0.56 0.04 0.00 0.21 0.00 0.00 66.02 66.84 1nji s SER 33 CO 0.05 -1.07 -0.14 -0.69 0.41 0.00 0.00 173.24 171.80 1nji s VAL 34 N -3.95 2.04 0.17 3.43 1.01 -1.26 -0.21 120.40 121.62 1nji s VAL 34 Ca 0.16 -1.30 -0.33 0.00 0.00 0.00 0.00 61.98 60.52 1nji s VAL 34 Cb -0.00 -2.04 -0.16 0.00 0.00 0.00 0.00 36.38 34.18 1nji s VAL 34 CO 0.03 0.19 1.11 1.57 0.00 0.00 0.00 175.10 178.00 1nji n HIS 35 N 4.54 1.16 -1.78 5.22 -0.00 0.62 -2.06 115.22 122.93 1nji n HIS 35 Ca -0.16 0.72 -0.21 0.00 0.46 0.00 0.00 57.72 58.52 1nji n HIS 35 Cb 0.45 -2.25 -0.07 0.00 -0.12 0.00 0.00 29.99 28.00 1nji n HIS 35 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1nji n GLY 36 N 1.94 1.46 3.60 1.57 0.00 -1.26 -4.83 105.19 107.68 1nji n GLY 36 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1nji n GLY 36 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1nji s TYR 37 N -2.84 3.02 -0.03 1.61 5.04 -0.87 -5.10 117.35 118.19 1nji s TYR 37 Ca 0.00 0.04 0.00 0.00 -2.44 0.00 0.00 57.07 54.67 1nji s TYR 37 Cb 0.00 -1.77 0.03 0.00 0.35 0.00 0.00 41.96 40.57 1nji s TYR 37 CO 0.00 0.33 0.01 -1.54 -1.34 0.00 0.00 175.55 173.00 1nji s SER 38 N -0.68 0.34 0.00 4.32 1.04 -1.26 -4.93 113.70 112.53 1nji s SER 38 Ca 0.10 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.52 1nji s SER 38 Cb -0.11 -0.19 0.00 0.00 0.10 0.00 0.00 66.02 65.81 1nji s SER 38 CO 0.02 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.75 1nji n GLY 39 N 4.13 0.76 3.43 7.32 0.00 -1.26 -5.11 105.19 114.46 1nji n GLY 39 Ca -0.27 -0.23 -0.13 0.00 0.00 0.00 0.00 46.02 45.39 1nji n GLY 39 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1nji s THR 40 N 2.97 0.01 -0.18 2.61 -1.32 -1.26 -5.07 115.64 113.39 1nji s THR 40 Ca 0.00 -0.05 -0.42 0.00 -1.21 0.00 0.00 61.69 60.01 1nji s THR 40 Cb 0.00 -1.01 -0.19 0.00 -1.51 0.00 0.00 72.50 69.79 1nji s THR 40 CO 0.00 -0.03 1.36 1.17 -2.21 0.00 0.00 174.62 174.91 1nji n LYS 41 N -0.04 0.29 0.00 7.08 4.81 -1.26 -0.73 118.16 128.31 1nji n LYS 41 Ca -0.17 0.11 0.00 0.00 -0.87 0.00 0.00 58.31 57.37 1nji n LYS 41 Cb 0.63 -1.65 0.00 0.00 0.02 0.00 0.00 35.03 34.03 1nji n LYS 41 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1nji n ASN 42 N 2.90 0.00 -4.73 3.14 3.02 -1.26 -5.00 115.26 113.34 1nji n ASN 42 Ca 0.24 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.38 1nji n ASN 42 Cb 0.06 -0.19 -0.04 0.00 -0.61 0.00 0.00 39.78 39.00 1nji n ASN 42 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1nji s ARG 43 N 0.00 4.59 -0.14 3.52 3.52 0.09 -5.01 118.95 125.52 1nji s ARG 43 Ca 0.00 1.60 -0.29 0.00 -0.13 0.00 0.00 55.73 56.90 1nji s ARG 43 Cb 0.00 -3.35 -0.01 0.00 -1.56 0.00 0.00 34.95 30.03 1nji s ARG 43 CO 0.00 0.04 1.05 -1.01 -0.81 0.00 0.00 175.30 174.57 1nji s HIS 44 N 0.28 3.40 0.15 5.12 3.76 -1.26 -4.65 115.29 122.08 1nji s HIS 44 Ca 0.51 1.49 -0.34 0.00 -0.15 0.00 0.00 55.06 56.56 1nji s HIS 44 Cb -0.26 -3.25 -0.15 0.00 1.11 0.00 0.00 32.58 30.02 1nji s HIS 44 CO 0.31 -0.49 1.38 -0.35 -0.85 0.00 0.00 174.74 174.74 1nji n PRO 45 N 5.48 1.57 -4.20 8.40 -0.04 -1.26 -4.79 135.00 140.16 1nji n PRO 45 Ca 0.10 0.57 -0.29 0.00 -0.04 0.00 0.00 63.50 63.84 1nji n PRO 45 Cb 0.47 -2.21 -0.09 0.00 -0.04 0.00 0.00 33.50 31.63 1nji n PRO 45 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1nji s LYS 46 N 0.24 2.29 -0.03 0.54 -2.85 -1.26 -1.44 119.74 117.23 1nji s LYS 46 Ca 0.78 -1.02 -0.07 0.00 -1.00 0.00 0.00 55.97 54.65 1nji s LYS 46 Cb -0.80 -2.36 0.01 0.00 -2.06 0.00 0.00 37.83 32.61 1nji s LYS 46 CO 0.46 0.50 0.17 0.00 0.10 0.00 0.00 175.35 176.58 1nji s ALA 47 N -1.40 -0.41 0.00 0.59 0.00 -0.17 -4.90 121.76 115.47 1nji s ALA 47 Ca 0.24 0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.42 1nji s ALA 47 Cb -0.11 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 22.91 1nji s ALA 47 CO 0.16 -0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.18 1nji n GLY 48 N 2.21 3.74 3.57 0.00 0.00 -1.26 -0.70 105.19 112.75 1nji n GLY 48 Ca -0.18 -1.36 -0.51 0.00 0.00 0.00 0.00 46.02 43.97 1nji n GLY 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nji n LEU 49 N 0.00 1.28 0.00 0.99 4.77 -1.26 -1.92 117.00 120.87 1nji n LEU 49 Ca 0.00 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 57.12 1nji n LEU 49 Cb 0.00 -1.16 0.00 0.00 -2.33 0.00 0.00 43.42 39.93 1nji n LEU 49 CO 0.00 -1.35 0.00 0.61 -1.33 0.00 0.00 177.39 175.32 1nji n GLY 50 N 2.14 1.73 3.82 -0.72 0.00 -0.42 -5.00 105.19 106.74 1nji n GLY 50 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 1nji n GLY 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nji s ASP 51 N -3.30 6.98 -0.31 1.61 1.01 -0.81 -4.86 116.67 116.99 1nji s ASP 51 Ca 0.00 1.27 -0.15 0.00 0.71 0.00 0.00 52.55 54.37 1nji s ASP 51 Cb 0.00 -2.36 -0.02 0.00 1.01 0.00 0.00 42.92 41.54 1nji s ASP 51 CO 0.00 0.10 0.39 -0.75 0.21 0.00 0.00 175.17 175.12 1nji s LYS 52 N -1.83 3.81 0.24 8.23 2.20 -1.26 -1.86 119.74 129.26 1nji s LYS 52 Ca 0.39 -0.14 0.10 0.00 -0.36 0.00 0.00 55.97 55.96 1nji s LYS 52 Cb -0.17 -3.73 -0.05 0.00 -1.51 0.00 0.00 37.83 32.38 1nji s LYS 52 CO 0.20 -0.42 -0.12 0.96 -0.36 0.00 0.00 175.35 175.61 1nji s ILE 53 N 2.11 2.91 0.11 5.43 -4.36 -0.28 -0.27 121.20 126.84 1nji s ILE 53 Ca 0.15 -2.02 -0.12 0.00 -0.26 0.00 0.00 60.65 58.40 1nji s ILE 53 Cb -0.16 -2.50 -0.06 0.00 1.25 0.00 0.00 42.46 40.99 1nji s ILE 53 CO 0.11 -0.28 0.46 -0.89 0.24 0.00 0.00 174.94 174.59 1nji s THR 54 N -2.12 4.99 0.15 8.37 2.01 0.71 -1.14 115.64 128.61 1nji s THR 54 Ca 0.28 0.61 -0.06 0.00 0.31 0.00 0.00 61.69 62.83 1nji s THR 54 Cb -0.07 -3.68 -0.02 0.00 0.01 0.00 0.00 72.50 68.74 1nji s THR 54 CO 0.16 0.27 0.19 -0.69 -0.69 0.00 0.00 174.62 173.86 1nji s VAL 55 N -1.43 0.08 0.01 3.82 1.01 0.14 -1.24 120.40 122.80 1nji s VAL 55 Ca 0.35 -1.57 0.05 0.00 0.00 0.00 0.00 61.98 60.80 1nji s VAL 55 Cb -0.14 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.34 1nji s VAL 55 CO 0.18 -0.38 -0.14 -0.94 0.00 0.00 0.00 175.10 173.82 1nji s SER 56 N -2.99 1.67 -0.31 3.32 1.04 -0.76 -0.29 113.70 115.37 1nji s SER 56 Ca 0.19 -0.35 -0.26 0.00 0.48 0.00 0.00 55.95 56.02 1nji s SER 56 Cb 0.05 -0.15 0.01 0.00 0.10 0.00 0.00 66.02 66.03 1nji s SER 56 CO -0.00 0.11 0.90 -0.69 0.98 0.00 0.00 173.24 174.54 1nji s VAL 57 N -0.56 4.68 -0.08 5.02 1.01 -0.65 -1.21 120.40 128.60 1nji s VAL 57 Ca 0.04 1.38 -0.14 0.00 0.00 0.00 0.00 61.98 63.25 1nji s VAL 57 Cb -0.07 -4.25 -0.29 0.00 0.00 0.00 0.00 36.38 31.77 1nji s VAL 57 CO 0.00 -0.35 0.62 0.74 0.00 0.00 0.00 175.10 176.11 1nji h THR 58 N 5.66 1.02 -3.99 3.92 2.02 -1.05 -1.35 112.91 119.15 1nji h THR 58 Ca -0.23 -2.45 -0.38 0.00 0.77 0.00 0.00 66.41 64.12 1nji h THR 58 Cb 1.08 2.76 -0.23 0.00 -1.74 0.00 0.00 68.15 70.02 1nji h THR 58 CO 0.94 0.76 -0.77 -0.54 0.37 0.00 0.00 175.52 176.28 1nji s LYS 59 N -2.51 0.75 0.00 6.66 1.02 -1.07 -4.87 119.74 119.72 1nji s LYS 59 Ca -0.18 -0.74 0.00 0.00 0.02 0.00 0.00 55.97 55.07 1nji s LYS 59 Cb 0.05 -0.70 0.00 0.00 -0.52 0.00 0.00 37.83 36.66 1nji s LYS 59 CO 0.80 0.16 0.00 0.41 -0.92 0.00 0.00 175.35 175.81 1nji n GLY 60 N 1.76 0.92 3.76 -3.33 0.00 -1.26 -0.41 105.19 106.63 1nji n GLY 60 Ca -0.19 -1.86 -0.41 0.00 0.00 0.00 0.00 46.02 43.56 1nji n GLY 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nji s THR 61 N -2.76 2.32 0.32 2.61 -4.23 0.47 -4.70 115.64 109.66 1nji s THR 61 Ca 0.00 0.29 0.06 0.00 -1.18 0.00 0.00 61.69 60.85 1nji s THR 61 Cb 0.00 -3.18 0.37 0.00 1.34 0.00 0.00 72.50 71.03 1nji s THR 61 CO 0.00 0.06 1.59 -0.65 -0.54 0.00 0.00 174.62 175.08 1nji h PRO 62 N 4.19 0.06 -0.15 3.99 0.11 -1.94 0.67 132.00 138.93 1nji h PRO 62 Ca -0.48 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 1nji h PRO 62 Cb 1.23 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1nji h PRO 62 CO 0.73 0.04 -0.12 0.93 -0.21 0.00 0.00 178.00 179.37 1nji h GLU 63 N 0.06 0.23 0.02 1.05 4.39 -1.97 -2.97 114.58 115.39 1nji h GLU 63 Ca 0.64 -0.05 -0.25 0.00 0.34 0.00 0.00 59.36 60.03 1nji h GLU 63 Cb 1.41 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.99 1nji h GLU 63 CO -0.82 0.36 -1.35 0.52 -1.16 0.00 0.00 179.01 176.57 1nji h MET 64 N 0.22 0.03 -6.88 2.33 2.86 -0.09 -3.45 114.93 109.95 1nji h MET 64 Ca 0.05 -0.05 -0.56 0.00 -2.06 0.00 0.00 59.70 57.07 1nji h MET 64 Cb 0.35 0.02 0.14 0.00 0.06 0.00 0.00 31.60 32.18 1nji h MET 64 CO 0.02 0.82 0.38 0.54 1.06 0.00 0.00 176.91 179.73 1nji n ARG 65 N -3.24 1.46 -0.34 1.72 1.74 -0.05 -2.52 116.66 115.43 1nji n ARG 65 Ca -0.09 0.53 0.00 0.00 -0.77 0.00 0.00 57.85 57.53 1nji n ARG 65 Cb 1.00 -2.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 1nji n ARG 65 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1nji n ARG 66 N -0.65 0.00 -2.42 5.56 1.74 -0.51 -4.93 116.66 115.46 1nji n ARG 66 Ca 0.11 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.81 1nji n ARG 66 Cb 0.44 -3.39 -0.03 0.00 -1.02 0.00 0.00 32.46 28.46 1nji n ARG 66 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1nji s GLN 67 N -0.30 4.20 -0.40 5.56 -0.21 -1.05 -4.72 119.66 122.74 1nji s GLN 67 Ca 0.00 1.71 -0.11 0.00 0.02 0.00 0.00 55.36 56.98 1nji s GLN 67 Cb 0.00 -2.72 0.04 0.00 1.00 0.00 0.00 33.01 31.33 1nji s GLN 67 CO 0.00 -0.16 0.24 0.08 -2.12 0.00 0.00 175.29 173.33 1nji s VAL 68 N -1.46 4.58 0.46 1.09 1.01 -1.26 -1.64 120.40 123.18 1nji s VAL 68 Ca 0.55 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 61.55 1nji s VAL 68 Cb -0.28 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 1nji s VAL 68 CO 0.35 -0.34 0.04 -0.76 0.00 0.00 0.00 175.10 174.39 1nji s LEU 69 N 1.54 2.27 0.09 3.92 1.43 0.61 -4.94 118.68 123.59 1nji s LEU 69 Ca 0.02 -1.61 0.04 0.00 -1.03 0.00 0.00 54.13 51.55 1nji s LEU 69 Cb -0.21 -0.56 -0.04 0.00 0.03 0.00 0.00 46.19 45.42 1nji s LEU 69 CO 0.06 -0.81 0.06 -0.70 0.23 0.00 0.00 176.35 175.18 1nji s GLU 70 N -3.81 2.76 0.30 1.70 2.12 -1.26 0.25 118.70 120.76 1nji s GLU 70 Ca 0.16 -0.76 -0.13 0.00 0.36 0.00 0.00 54.97 54.60 1nji s GLU 70 Cb 0.03 -2.65 0.01 0.00 0.26 0.00 0.00 34.13 31.78 1nji s GLU 70 CO 0.09 0.55 0.59 0.00 -0.54 0.00 0.00 175.26 175.94 1nji s ALA 71 N -1.40 -0.33 -0.03 6.30 0.00 -0.29 -0.55 121.76 125.46 1nji s ALA 71 Ca 0.28 -0.87 0.04 0.00 0.00 0.00 0.00 51.96 51.42 1nji s ALA 71 Cb -0.12 0.97 -0.01 0.00 0.00 0.00 0.00 23.12 23.96 1nji s ALA 71 CO 0.21 -0.90 -0.16 0.08 0.00 0.00 0.00 175.76 174.98 1nji s VAL 72 N -3.48 1.33 -0.30 0.00 1.01 -0.78 -1.12 120.40 117.06 1nji s VAL 72 Ca 0.20 -0.68 -0.28 0.00 0.00 0.00 0.00 61.98 61.22 1nji s VAL 72 Cb -0.03 -1.13 0.01 0.00 0.00 0.00 0.00 36.38 35.24 1nji s VAL 72 CO 0.11 0.38 0.99 -0.69 0.00 0.00 0.00 175.10 175.90 1nji s VAL 73 N -0.12 4.62 -0.12 2.92 1.01 -0.78 -1.12 120.40 126.82 1nji s VAL 73 Ca 0.00 1.67 0.19 0.00 0.00 0.00 0.00 61.98 63.84 1nji s VAL 73 Cb -0.09 -4.32 -0.27 0.00 0.00 0.00 0.00 36.38 31.69 1nji s VAL 73 CO 0.01 -0.35 0.23 0.52 0.00 0.00 0.00 175.10 175.51 1nji n VAL 74 N 5.66 0.75 -3.74 2.92 0.31 0.60 -1.30 118.33 123.53 1nji n VAL 74 Ca 0.10 -0.67 -0.13 0.00 -0.01 0.00 0.00 64.34 63.63 1nji n VAL 74 Cb 0.47 -0.27 -0.09 0.00 -0.91 0.00 0.00 33.84 33.04 1nji n VAL 74 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1nji s ARG 75 N -2.88 0.57 -0.03 5.55 0.52 -0.86 -3.33 118.95 118.49 1nji s ARG 75 Ca -0.09 0.21 -0.11 0.00 -0.52 0.00 0.00 55.73 55.23 1nji s ARG 75 Cb 0.09 0.26 0.02 0.00 0.52 0.00 0.00 34.95 35.84 1nji s ARG 75 CO 0.81 -0.12 0.24 1.14 0.02 0.00 0.00 175.30 177.39 1nji s GLN 76 N -0.50 0.51 0.26 3.54 -2.07 -1.20 -0.00 119.66 120.20 1nji s GLN 76 Ca -0.06 -0.12 0.04 0.00 -1.82 0.00 0.00 55.36 53.40 1nji s GLN 76 Cb -0.04 0.22 0.35 0.00 -1.09 0.00 0.00 33.01 32.46 1nji s GLN 76 CO 0.03 -0.12 1.64 0.00 -1.32 0.00 0.00 175.29 175.52 1nji h ARG 77 N 4.50 0.30 -6.78 9.60 3.08 -1.73 -2.28 114.38 121.08 1nji h ARG 77 Ca -0.29 -0.16 -0.51 0.00 0.07 0.00 0.00 59.98 59.08 1nji h ARG 77 Cb 1.19 0.01 0.03 0.00 0.08 0.00 0.00 29.97 31.27 1nji h ARG 77 CO 0.39 0.71 0.54 0.21 -1.07 0.00 0.00 179.97 180.75 1nji s LYS 78 N -4.06 4.53 0.90 0.04 2.47 -1.26 -4.28 119.74 118.07 1nji s LYS 78 Ca -0.05 1.93 -0.11 0.00 -1.56 0.00 0.00 55.97 56.18 1nji s LYS 78 Cb 0.13 -3.18 0.12 0.00 -1.46 0.00 0.00 37.83 33.44 1nji s LYS 78 CO 0.79 0.02 1.07 -2.30 0.16 0.00 0.00 175.35 175.09 1nji n PRO 79 N 1.54 -0.33 -4.09 4.03 -0.02 -1.26 -4.76 135.00 130.11 1nji n PRO 79 Ca 0.01 -0.03 -0.13 0.00 -2.02 0.00 0.00 63.50 61.33 1nji n PRO 79 Cb 0.44 -2.32 -0.11 0.00 -0.02 0.00 0.00 33.50 31.48 1nji n PRO 79 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1nji s ILE 80 N -2.52 0.58 -0.18 4.25 -4.36 -0.21 -4.04 121.20 114.73 1nji s ILE 80 Ca 0.67 -1.26 -0.06 0.00 -0.26 0.00 0.00 60.65 59.74 1nji s ILE 80 Cb -0.24 -0.84 -0.04 0.00 1.25 0.00 0.00 42.46 42.60 1nji s ILE 80 CO 0.58 -0.48 0.03 -0.60 0.24 0.00 0.00 174.94 174.71 1nji s ARG 81 N -2.04 3.87 0.21 0.37 3.52 0.40 -0.93 118.95 124.34 1nji s ARG 81 Ca -0.05 -0.40 0.00 0.00 -0.13 0.00 0.00 55.73 55.14 1nji s ARG 81 Cb -0.07 -3.12 -0.04 0.00 -1.56 0.00 0.00 34.95 30.16 1nji s ARG 81 CO -0.01 0.25 0.39 1.03 -0.81 0.00 0.00 175.30 176.15 1nji s ARG 82 N 0.41 3.50 0.31 5.12 0.52 -0.65 -0.92 118.95 127.25 1nji s ARG 82 Ca 0.01 -0.39 0.14 0.00 -0.52 0.00 0.00 55.73 54.97 1nji s ARG 82 Cb -0.13 -2.84 1.06 0.00 0.52 0.00 0.00 34.95 33.56 1nji s ARG 82 CO 0.01 0.39 1.39 -2.30 0.02 0.00 0.00 175.30 174.81 1nji n PRO 83 N -0.78 -0.06 0.00 3.54 -0.02 -1.26 0.74 135.00 137.16 1nji n PRO 83 Ca -0.05 1.24 0.00 0.00 -2.02 0.00 0.00 63.50 62.67 1nji n PRO 83 Cb 0.54 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 1nji n PRO 83 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1nji n ASP 84 N -5.06 0.12 0.00 2.55 5.75 -1.26 -4.87 116.55 113.77 1nji n ASP 84 Ca 0.30 -1.80 0.00 0.00 -0.01 0.00 0.00 54.79 53.29 1nji n ASP 84 Cb 1.02 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 41.05 1nji n ASP 84 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1nji n GLY 85 N 0.35 2.95 3.76 6.12 0.00 0.23 -5.02 105.19 113.57 1nji n GLY 85 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1nji n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nji s THR 86 N -1.68 2.69 0.05 2.61 2.01 -1.25 -4.69 115.64 115.37 1nji s THR 86 Ca 0.00 0.44 0.00 0.00 0.31 0.00 0.00 61.69 62.44 1nji s THR 86 Cb 0.00 -3.18 -0.04 0.00 0.01 0.00 0.00 72.50 69.29 1nji s THR 86 CO 0.00 -0.08 0.16 -0.13 -0.69 0.00 0.00 174.62 173.87 1nji s ARG 87 N -3.27 3.25 -0.04 4.92 1.81 -1.26 -1.64 118.95 122.72 1nji s ARG 87 Ca 0.76 -0.49 0.02 0.00 -1.72 0.00 0.00 55.73 54.30 1nji s ARG 87 Cb -0.30 -2.95 0.01 0.00 -0.45 0.00 0.00 34.95 31.26 1nji s ARG 87 CO 0.33 0.61 -0.10 0.08 -0.68 0.00 0.00 175.30 175.54 1nji s VAL 88 N -1.42 0.89 0.01 3.52 1.01 -0.10 -4.90 120.40 119.40 1nji s VAL 88 Ca 0.31 -0.38 -0.03 0.00 0.00 0.00 0.00 61.98 61.89 1nji s VAL 88 Cb -0.13 -0.82 -0.01 0.00 0.00 0.00 0.00 36.38 35.43 1nji s VAL 88 CO 0.24 0.29 0.05 -1.59 0.00 0.00 0.00 175.10 174.08 1nji s LYS 89 N 0.48 0.34 0.41 2.72 -2.85 -1.26 -1.05 119.74 118.54 1nji s LYS 89 Ca -0.09 -0.43 0.08 0.00 -1.00 0.00 0.00 55.97 54.53 1nji s LYS 89 Cb -0.12 0.13 -0.02 0.00 -2.06 0.00 0.00 37.83 35.76 1nji s LYS 89 CO 0.02 -0.07 0.40 -0.06 0.10 0.00 0.00 175.35 175.74 1nji s PHE 90 N -1.22 2.73 0.07 1.78 0.40 -0.86 -5.02 117.98 115.86 1nji s PHE 90 Ca -0.13 -0.47 0.18 0.00 -0.60 0.00 0.00 56.93 55.90 1nji s PHE 90 Cb -0.08 -2.19 0.50 0.00 0.51 0.00 0.00 43.02 41.76 1nji s PHE 90 CO 0.00 -0.16 1.65 1.49 0.70 0.00 0.00 175.22 178.90 1nji h GLU 91 N 0.98 0.00 0.00 0.44 4.22 -1.93 -3.37 114.58 114.91 1nji h GLU 91 Ca -0.41 0.00 -0.27 0.00 0.08 0.00 0.00 59.36 58.76 1nji h GLU 91 Cb 1.27 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.46 1nji h GLU 91 CO 0.56 0.42 -0.12 -0.40 -2.18 0.00 0.00 179.01 177.29 1nji n ASP 92 N -3.42 -1.46 -4.56 1.04 5.75 -1.26 -4.92 116.55 107.72 1nji n ASP 92 Ca 0.00 -2.91 -0.34 0.00 -0.01 0.00 0.00 54.79 51.54 1nji n ASP 92 Cb 0.58 2.69 -0.11 0.00 -1.03 0.00 0.00 41.12 43.25 1nji n ASP 92 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 1nji s ASN 93 N -3.20 5.12 0.01 -1.12 0.01 -1.26 -3.26 114.94 111.23 1nji s ASN 93 Ca 0.29 -0.04 -0.12 0.00 -0.71 0.00 0.00 52.86 52.27 1nji s ASN 93 Cb -0.01 -1.83 0.02 0.00 0.41 0.00 0.00 41.25 39.83 1nji s ASN 93 CO 0.20 0.18 0.26 0.00 -1.51 0.00 0.00 177.10 176.24 1nji s ALA 94 N 0.29 -0.61 0.06 0.60 0.00 1.00 -1.58 121.76 121.52 1nji s ALA 94 Ca -0.01 0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.05 1nji s ALA 94 Cb -0.13 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 1nji s ALA 94 CO 0.02 -0.29 -0.04 0.00 0.00 0.00 0.00 175.76 175.45 1nji s ALA 95 N -1.70 0.60 -0.16 0.00 0.00 0.26 -0.29 121.76 120.48 1nji s ALA 95 Ca -0.11 -1.14 0.02 0.00 0.00 0.00 0.00 51.96 50.72 1nji s ALA 95 Cb -0.04 0.21 0.01 0.00 0.00 0.00 0.00 23.12 23.29 1nji s ALA 95 CO 0.01 -0.28 -0.20 0.08 0.00 0.00 0.00 175.76 175.38 1nji s VAL 96 N -3.33 2.17 0.32 0.00 1.01 -0.27 -0.77 120.40 119.52 1nji s VAL 96 Ca 0.04 -0.93 -0.29 0.00 0.00 0.00 0.00 61.98 60.80 1nji s VAL 96 Cb 0.04 -1.89 -0.11 0.00 0.00 0.00 0.00 36.38 34.42 1nji s VAL 96 CO -0.07 0.54 1.53 -0.63 0.00 0.00 0.00 175.10 176.47 1nji s ILE 97 N 1.00 2.16 0.15 2.22 1.01 -1.26 -1.87 121.20 124.60 1nji s ILE 97 Ca -0.02 0.14 0.05 0.00 0.00 0.00 0.00 60.65 60.82 1nji s ILE 97 Cb -0.15 -3.09 -0.04 0.00 0.01 0.00 0.00 42.46 39.19 1nji s ILE 97 CO -0.06 0.03 -0.11 0.54 0.00 0.00 0.00 174.94 175.34 1nji s VAL 98 N -0.41 1.22 0.00 2.92 0.11 0.29 -1.50 120.40 123.03 1nji s VAL 98 Ca 0.59 -2.04 0.00 0.00 -2.93 0.00 0.00 61.98 57.59 1nji s VAL 98 Cb -0.46 -1.83 0.00 0.00 -1.53 0.00 0.00 36.38 32.55 1nji s VAL 98 CO 0.52 -0.71 0.00 -0.90 -3.33 0.00 0.00 175.10 170.68 1nji n ASP 99 N -0.15 0.23 -0.33 3.54 5.68 -0.97 -4.03 116.55 120.53 1nji n ASP 99 Ca -0.10 -0.33 0.00 0.00 -0.50 0.00 0.00 54.79 53.86 1nji n ASP 99 Cb 0.60 0.00 0.17 0.00 -1.14 0.00 0.00 41.12 40.76 1nji n ASP 99 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1nji h GLU 100 N 0.00 1.17 -0.01 0.11 5.08 -1.99 -1.84 114.58 117.10 1nji h GLU 100 Ca 0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1nji h GLU 100 Cb 0.00 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 28.99 1nji h GLU 100 CO 0.00 0.77 -0.02 0.09 -1.00 0.00 0.00 179.01 178.85 1nji n ASN 101 N -4.42 0.94 -0.59 1.42 3.02 -1.26 -4.91 115.26 109.46 1nji n ASN 101 Ca 0.12 -1.23 -0.06 0.00 -0.03 0.00 0.00 54.58 53.37 1nji n ASN 101 Cb 0.07 -0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.23 1nji n ASN 101 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1nji n GLU 102 N -0.32 -0.46 -3.52 3.52 1.02 -0.69 -5.02 120.64 115.18 1nji n GLU 102 Ca 0.20 0.51 -0.38 0.00 -0.02 0.00 0.00 57.16 57.47 1nji n GLU 102 Cb 0.28 -4.31 -0.06 0.00 -0.02 0.00 0.00 31.44 27.32 1nji n GLU 102 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1nji s ASP 103 N -2.83 6.70 0.26 1.62 1.01 -1.26 -4.45 116.67 117.71 1nji s ASP 103 Ca 0.00 0.83 -0.31 0.00 0.71 0.00 0.00 52.55 53.78 1nji s ASP 103 Cb 0.00 -2.23 -0.13 0.00 1.01 0.00 0.00 42.92 41.57 1nji s ASP 103 CO 0.00 0.25 1.43 -0.81 0.21 0.00 0.00 175.17 176.25 1nji n PRO 104 N 2.36 2.16 0.26 8.23 -0.04 -1.26 -2.28 135.00 144.43 1nji n PRO 104 Ca -0.13 0.77 0.14 0.00 -0.04 0.00 0.00 63.50 64.24 1nji n PRO 104 Cb 0.52 -2.44 0.65 0.00 -0.04 0.00 0.00 33.50 32.20 1nji n PRO 104 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1nji h ARG 105 N 4.16 0.00 0.00 0.54 2.43 -1.58 -3.45 114.38 116.47 1nji h ARG 105 Ca -0.45 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 58.62 1nji h ARG 105 Cb 1.27 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.83 1nji h ARG 105 CO 0.75 0.11 0.00 0.41 -1.51 0.00 0.00 179.97 179.73 1nji n GLY 106 N -0.16 1.48 0.03 2.80 0.00 -1.26 -4.94 105.19 103.15 1nji n GLY 106 Ca -0.00 -2.08 -0.00 0.00 0.00 0.00 0.00 46.02 43.93 1nji n GLY 106 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1nji n THR 107 N -1.41 0.39 -4.17 2.61 -1.04 -1.26 -5.01 114.28 104.39 1nji n THR 107 Ca 0.03 -0.37 -0.17 0.00 -2.04 0.00 0.00 64.05 61.51 1nji n THR 107 Cb 0.12 -0.27 -0.15 0.00 -1.82 0.00 0.00 70.33 68.21 1nji n THR 107 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1nji s GLU 108 N -2.52 0.50 -0.20 -2.82 2.02 -1.26 -5.05 118.70 109.38 1nji s GLU 108 Ca -0.05 -0.18 -0.11 0.00 0.02 0.00 0.00 54.97 54.66 1nji s GLU 108 Cb 0.05 -0.50 -0.05 0.00 0.10 0.00 0.00 34.13 33.74 1nji s GLU 108 CO 0.46 0.09 0.15 -0.51 0.02 0.00 0.00 175.26 175.47 1nji s LEU 109 N 0.04 4.21 -0.12 1.80 1.43 -1.26 -1.87 118.68 122.92 1nji s LEU 109 Ca -0.00 0.27 -0.16 0.00 -1.03 0.00 0.00 54.13 53.21 1nji s LEU 109 Cb -0.04 -2.13 -0.05 0.00 0.03 0.00 0.00 46.19 44.00 1nji s LEU 109 CO -0.00 0.17 0.38 -0.54 0.23 0.00 0.00 176.35 176.59 1nji s LYS 110 N 0.38 4.24 0.00 1.70 1.02 -0.95 -4.58 119.74 121.56 1nji s LYS 110 Ca 0.09 0.28 0.00 0.00 0.02 0.00 0.00 55.97 56.36 1nji s LYS 110 Cb -0.11 -3.40 0.00 0.00 -0.52 0.00 0.00 37.83 33.80 1nji s LYS 110 CO -0.01 0.27 0.00 0.41 -0.92 0.00 0.00 175.35 175.10 1nji n GLY 111 N 3.12 -2.09 3.58 -3.33 0.00 -1.26 -4.67 105.19 100.54 1nji n GLY 111 Ca -0.10 -1.49 -0.28 0.00 0.00 0.00 0.00 46.02 44.15 1nji n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1nji s PRO 112 N -2.22 -0.43 -0.02 1.61 0.04 -1.26 -4.59 135.00 128.12 1nji s PRO 112 Ca 0.00 0.57 -0.08 0.00 0.04 0.00 0.00 61.00 61.54 1nji s PRO 112 Cb 0.00 -1.63 0.01 0.00 0.04 0.00 0.00 34.50 32.92 1nji s PRO 112 CO 0.00 -3.33 0.17 0.42 0.04 0.00 0.00 177.00 174.30 1nji s ILE 113 N -2.74 0.06 0.14 0.56 1.01 -0.58 -4.88 121.20 114.77 1nji s ILE 113 Ca 0.67 -0.48 -0.30 0.00 0.00 0.00 0.00 60.65 60.54 1nji s ILE 113 Cb -0.21 -0.40 -0.07 0.00 0.01 0.00 0.00 42.46 41.79 1nji s ILE 113 CO 0.61 -0.26 1.11 0.00 0.00 0.00 0.00 174.94 176.39 1nji s ALA 114 N -0.97 3.36 0.41 9.38 0.00 -1.21 -0.64 121.76 132.08 1nji s ALA 114 Ca -0.11 0.80 0.16 0.00 0.00 0.00 0.00 51.96 52.81 1nji s ALA 114 Cb -0.06 -3.37 1.03 0.00 0.00 0.00 0.00 23.12 20.73 1nji s ALA 114 CO 0.01 -0.26 1.85 0.07 0.00 0.00 0.00 175.76 177.44 1nji h ARG 115 N 5.61 0.44 0.00 0.00 0.11 -1.85 -0.82 114.38 117.87 1nji h ARG 115 Ca -0.43 -0.03 -0.01 0.00 0.10 0.00 0.00 59.98 59.61 1nji h ARG 115 Cb 1.21 -0.10 -0.00 0.00 1.11 0.00 0.00 29.97 32.19 1nji h ARG 115 CO 0.75 0.29 -0.04 0.93 0.10 0.00 0.00 179.97 182.00 1nji h GLU 116 N 0.46 0.00 0.00 0.08 3.07 -1.89 -1.18 114.58 115.12 1nji h GLU 116 Ca 0.47 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.29 1nji h GLU 116 Cb 1.09 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.00 1nji h GLU 116 CO -0.19 0.04 -0.17 0.28 -1.40 0.00 0.00 179.01 177.57 1nji h VAL 117 N 0.00 0.55 0.08 3.13 2.07 -1.47 -2.98 116.25 117.63 1nji h VAL 117 Ca -0.00 -0.82 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 1nji h VAL 117 Cb 0.09 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1nji h VAL 117 CO 0.01 0.17 -0.04 0.00 0.02 0.00 0.00 177.57 177.72 1nji h ALA 118 N 1.83 -0.11 0.00 1.67 0.00 -1.34 -0.73 119.26 120.58 1nji h ALA 118 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1nji h ALA 118 Cb 0.53 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1nji h ALA 118 CO 0.02 -0.47 0.00 1.04 0.00 0.00 0.00 179.25 179.84 1nji n GLN 119 N -5.05 0.00 0.00 0.00 6.02 -1.12 -2.86 117.38 114.37 1nji n GLN 119 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 1nji n GLN 119 Cb 0.14 -1.40 0.00 0.00 1.02 0.00 0.00 30.24 30.01 1nji n GLN 119 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1nji n ARG 120 N -0.82 0.00 -3.87 -1.09 1.74 -0.96 -4.83 116.66 106.82 1nji n ARG 120 Ca 0.00 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.79 1nji n ARG 120 Cb 0.00 -0.60 -0.13 0.00 -1.02 0.00 0.00 32.46 30.71 1nji n ARG 120 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1nji s PHE 121 N -1.82 2.96 0.08 -1.55 0.40 -0.32 -4.99 117.98 112.73 1nji s PHE 121 Ca 0.00 -3.04 -0.35 0.00 -0.60 0.00 0.00 56.93 52.95 1nji s PHE 121 Cb 0.00 -2.54 -0.17 0.00 0.51 0.00 0.00 43.02 40.82 1nji s PHE 121 CO 0.00 -0.71 1.54 0.78 0.70 0.00 0.00 175.22 177.54 1nji h GLY 122 N 6.26 -1.26 0.94 4.36 0.00 -1.82 -1.56 103.07 109.99 1nji h GLY 122 Ca -0.00 0.59 0.14 0.00 0.00 0.00 0.00 47.33 48.06 1nji h GLY 122 CO 0.64 -0.37 0.39 1.48 0.00 0.00 0.00 176.54 178.68 1nji h SER 123 N -0.99 0.00 -0.23 0.19 4.64 -1.93 0.33 113.55 115.56 1nji h SER 123 Ca -0.06 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.09 1nji h SER 123 Cb 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 1nji h SER 123 CO -0.06 0.00 -0.49 0.58 -0.87 0.00 0.00 176.83 175.98 1nji h VAL 124 N 0.00 1.30 -0.11 0.95 2.07 -1.65 -3.20 116.25 115.61 1nji h VAL 124 Ca 0.24 -1.70 -0.03 0.00 0.82 0.00 0.00 66.70 66.03 1nji h VAL 124 Cb 1.01 1.78 -0.00 0.00 -1.52 0.00 0.00 31.29 32.56 1nji h VAL 124 CO -0.00 0.54 -0.03 0.00 0.02 0.00 0.00 177.57 178.10 1nji h ALA 125 N 0.63 0.15 0.00 1.67 0.00 0.32 -2.80 119.26 119.23 1nji h ALA 125 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1nji h ALA 125 Cb 1.10 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1nji h ALA 125 CO 0.11 -0.11 0.00 -1.13 0.00 0.00 0.00 179.25 178.12 1nji n SER 126 N -4.75 0.35 0.00 0.00 3.41 0.85 -0.10 113.62 113.38 1nji n SER 126 Ca -0.06 -0.84 0.00 0.00 -0.26 0.00 0.00 58.87 57.71 1nji n SER 126 Cb 0.25 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 1nji n SER 126 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nji n ALA 127 N 0.16 1.26 -1.80 7.33 0.00 -1.06 -5.02 120.51 121.39 1nji n ALA 127 Ca 0.00 -0.33 -0.34 0.00 0.00 0.00 0.00 53.44 52.77 1nji n ALA 127 Cb 0.09 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.49 1nji n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nji s ALA 128 N -0.08 3.00 -0.20 0.00 0.00 0.86 -4.04 121.76 121.31 1nji s ALA 128 Ca 0.00 0.55 -0.17 0.00 0.00 0.00 0.00 51.96 52.34 1nji s ALA 128 Cb 0.00 -3.21 -0.13 0.00 0.00 0.00 0.00 23.12 19.77 1nji s ALA 128 CO 0.00 -0.09 0.01 2.41 0.00 0.00 0.00 175.76 178.09 1nji n THR 129 N -0.53 1.50 -5.13 0.00 -1.04 -1.26 -4.91 114.28 102.91 1nji n THR 129 Ca 0.07 0.01 -0.30 0.00 -2.04 0.00 0.00 64.05 61.79 1nji n THR 129 Cb 0.52 -2.14 -0.16 0.00 -1.82 0.00 0.00 70.33 66.73 1nji n THR 129 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 1nji s MET 130 N -2.37 2.31 -0.28 -2.82 -1.94 -1.26 -5.10 119.30 107.85 1nji s MET 130 Ca -0.26 -0.81 -0.00 0.00 -1.71 0.00 0.00 55.69 52.91 1nji s MET 130 Cb 0.06 -1.97 0.08 0.00 2.01 0.00 0.00 34.83 35.01 1nji s MET 130 CO 0.47 0.33 0.05 0.42 -0.01 0.00 0.00 175.02 176.28 1nji s ILE 131 N -0.09 1.08 -2.34 2.53 1.01 -1.26 -1.53 121.20 120.60 1nji s ILE 131 Ca -0.04 -1.30 0.29 0.00 0.00 0.00 0.00 60.65 59.60 1nji s ILE 131 Cb -0.13 -1.68 0.66 0.00 0.01 0.00 0.00 42.46 41.33 1nji s ILE 131 CO 0.03 -0.47 1.90 0.52 0.00 0.00 0.00 174.94 176.92