#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j57 s ASP 8 N 0.00 6.25 0.55 1.09 2.15 -1.26 -4.92 116.67 120.53 2j57 s ASP 8 Ca 0.00 -0.64 0.34 0.00 0.43 0.00 0.00 52.55 52.68 2j57 s ASP 8 Cb 0.00 -2.29 1.41 0.00 -0.30 0.00 0.00 42.92 41.75 2j57 s ASP 8 CO 0.00 -0.78 2.00 1.55 -0.17 0.00 0.00 175.17 177.77 2j57 h PRO 9 N 8.89 0.00 -0.01 4.34 0.13 -2.06 -3.01 132.00 140.28 2j57 h PRO 9 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2j57 h PRO 9 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2j57 h PRO 9 CO 0.90 0.00 -0.31 0.54 -0.23 0.00 0.00 178.00 178.90 2j57 n ARG 10 N -3.08 1.00 -2.54 0.86 1.74 -1.26 -4.91 116.66 108.47 2j57 n ARG 10 Ca 0.00 -0.68 -0.32 0.00 -0.77 0.00 0.00 57.85 56.08 2j57 n ARG 10 Cb 0.29 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 30.20 2j57 n ARG 10 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2j57 s ALA 11 N -2.47 3.06 0.46 7.54 0.00 -1.14 -5.00 121.76 124.21 2j57 s ALA 11 Ca 0.23 0.26 -0.25 0.00 0.00 0.00 0.00 51.96 52.21 2j57 s ALA 11 Cb 0.19 -3.13 -0.08 0.00 0.00 0.00 0.00 23.12 20.10 2j57 s ALA 11 CO 0.52 -0.11 1.33 1.17 0.00 0.00 0.00 175.76 178.67 2j57 n LYS 12 N -1.26 1.97 -1.80 0.00 4.81 -1.26 -4.93 118.16 115.69 2j57 n LYS 12 Ca 0.07 0.71 -0.41 0.00 -0.87 0.00 0.00 58.31 57.80 2j57 n LYS 12 Cb 0.54 -2.49 -0.01 0.00 0.02 0.00 0.00 35.03 33.09 2j57 n LYS 12 CO 0.00 0.00 0.00 -0.46 1.17 0.00 0.00 177.40 178.11 2j57 s TRP 13 N -1.22 2.73 -0.32 5.64 -0.11 -1.26 -5.02 118.94 119.37 2j57 s TRP 13 Ca 0.63 0.89 -0.01 0.00 1.22 0.00 0.00 56.10 58.83 2j57 s TRP 13 Cb -0.47 -4.04 0.11 0.00 -1.50 0.00 0.00 33.47 27.56 2j57 s TRP 13 CO 0.56 -3.40 0.13 0.08 -4.62 0.00 0.00 176.95 169.71 2j57 s VAL 14 N -0.28 0.62 0.43 5.86 1.01 -1.26 -5.13 120.40 121.64 2j57 s VAL 14 Ca 0.60 -1.40 -0.23 0.00 0.00 0.00 0.00 61.98 60.96 2j57 s VAL 14 Cb -0.47 -1.47 -0.08 0.00 0.00 0.00 0.00 36.38 34.35 2j57 s VAL 14 CO 0.51 -0.75 1.08 -2.16 0.00 0.00 0.00 175.10 173.78 2j57 s PRO 15 N 1.54 4.00 0.32 2.72 0.04 -1.26 -4.88 135.00 137.48 2j57 s PRO 15 Ca 0.11 1.55 0.06 0.00 0.04 0.00 0.00 61.00 62.77 2j57 s PRO 15 Cb -0.18 -2.44 -0.06 0.00 0.04 0.00 0.00 34.50 31.86 2j57 s PRO 15 CO -0.23 -0.29 -0.01 1.14 0.04 0.00 0.00 177.00 177.65 2j57 s GLN 16 N -2.66 1.66 -0.16 4.56 1.03 -0.63 -4.78 119.66 118.67 2j57 s GLN 16 Ca 0.61 -1.88 0.16 0.00 0.04 0.00 0.00 55.36 54.28 2j57 s GLN 16 Cb -0.23 -1.17 0.43 0.00 0.03 0.00 0.00 33.01 32.08 2j57 s GLN 16 CO 0.28 -0.04 1.20 -3.47 -2.54 0.00 0.00 175.29 170.72 2j57 n ASP 17 N -0.69 1.87 0.00 12.60 2.03 -1.26 -1.05 116.55 130.06 2j57 n ASP 17 Ca -0.04 -3.24 0.00 0.00 0.52 0.00 0.00 54.79 52.03 2j57 n ASP 17 Cb 0.65 -0.44 0.00 0.00 -0.72 0.00 0.00 41.12 40.61 2j57 n ASP 17 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2j57 n ASN 18 N -0.58 1.09 -3.15 1.67 6.94 -1.26 -5.02 115.26 114.94 2j57 n ASN 18 Ca 0.17 -1.22 0.04 0.00 -0.02 0.00 0.00 54.58 53.56 2j57 n ASN 18 Cb 0.86 0.00 -0.00 0.00 -2.36 0.00 0.00 39.78 38.28 2j57 n ASN 18 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2j57 s ASP 19 N -0.22 -1.46 0.09 0.53 -1.08 -1.26 -5.03 116.67 108.24 2j57 s ASP 19 Ca 0.00 0.43 0.18 0.00 -0.52 0.00 0.00 52.55 52.64 2j57 s ASP 19 Cb 0.00 2.03 0.76 0.00 -1.46 0.00 0.00 42.92 44.25 2j57 s ASP 19 CO 0.00 -0.27 1.56 2.30 0.52 0.00 0.00 175.17 179.28 2j57 n ILE 20 N 5.41 0.92 1.19 4.11 -5.35 -1.26 -2.44 119.36 121.95 2j57 n ILE 20 Ca 0.03 0.23 0.13 0.00 -0.27 0.00 0.00 62.75 62.87 2j57 n ILE 20 Cb 0.53 -1.05 0.35 0.00 -1.74 0.00 0.00 39.64 37.73 2j57 n ILE 20 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2j57 n GLN 21 N -1.77 1.95 -4.24 6.28 6.02 -1.26 -4.85 117.38 119.50 2j57 n GLN 21 Ca 0.03 -1.39 -0.33 0.00 -0.01 0.00 0.00 57.00 55.30 2j57 n GLN 21 Cb 0.20 -1.46 -0.08 0.00 1.02 0.00 0.00 30.24 29.91 2j57 n GLN 21 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2j57 s ALA 22 N -1.91 3.35 0.04 -1.58 0.00 -1.02 -4.94 121.76 115.70 2j57 s ALA 22 Ca 0.34 -0.94 0.32 0.00 0.00 0.00 0.00 51.96 51.69 2j57 s ALA 22 Cb 0.20 -1.39 1.47 0.00 0.00 0.00 0.00 23.12 23.40 2j57 s ALA 22 CO 0.31 0.66 1.96 0.00 0.00 0.00 0.00 175.76 178.69 2j57 n ASP 24 N -2.78 1.75 -4.62 0.00 5.75 -1.26 -4.77 116.55 110.62 2j57 n ASP 24 Ca -0.00 -1.61 -0.47 0.00 -0.01 0.00 0.00 54.79 52.70 2j57 n ASP 24 Cb 0.21 -0.03 -0.03 0.00 -1.03 0.00 0.00 41.12 40.23 2j57 n ASP 24 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2j57 n TYR 25 N 0.37 1.69 0.23 2.11 9.36 -0.16 -1.61 117.16 129.15 2j57 n TYR 25 Ca 0.18 0.57 0.06 0.00 3.32 0.00 0.00 57.90 62.03 2j57 n TYR 25 Cb 0.38 -2.36 0.54 0.00 -0.63 0.00 0.00 39.34 37.27 2j57 n TYR 25 CO 0.00 0.00 0.00 0.11 0.22 0.00 0.00 176.86 177.19 2j57 h TRP 26 N 3.74 0.00 0.00 2.98 5.08 -1.43 -0.67 115.95 125.65 2j57 h TRP 26 Ca -0.44 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.53 2j57 h TRP 26 Cb 1.31 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.47 2j57 h TRP 26 CO 0.55 0.14 0.00 0.00 -1.28 0.00 0.00 178.44 177.85 2j57 h ARG 27 N 0.00 0.00 -0.79 0.12 3.08 -1.88 -3.25 114.38 111.65 2j57 h ARG 27 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 2j57 h ARG 27 Cb 0.24 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 2j57 h ARG 27 CO 0.02 0.00 0.03 0.72 -1.07 0.00 0.00 179.97 179.67 2j57 n HIS 28 N -2.59 1.16 0.32 3.04 8.25 -0.26 -4.49 115.22 120.66 2j57 n HIS 28 Ca 0.04 -0.45 0.21 0.00 -0.26 0.00 0.00 57.72 57.25 2j57 n HIS 28 Cb 0.39 -0.35 1.08 0.00 1.12 0.00 0.00 29.99 32.24 2j57 n HIS 28 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2j57 n SER 30 N -3.00 0.96 -4.76 0.00 2.88 -1.26 -1.06 113.62 107.38 2j57 n SER 30 Ca -0.02 -2.01 -0.39 0.00 -1.33 0.00 0.00 58.87 55.11 2j57 n SER 30 Cb 0.11 -0.29 -0.06 0.00 -0.75 0.00 0.00 64.21 63.22 2j57 n SER 30 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 2j57 s ILE 31 N -0.99 4.16 -0.19 2.46 2.07 -1.08 -4.80 121.20 122.82 2j57 s ILE 31 Ca 0.29 1.96 -0.02 0.00 -1.41 0.00 0.00 60.65 61.48 2j57 s ILE 31 Cb 0.35 -4.23 0.06 0.00 0.13 0.00 0.00 42.46 38.77 2j57 s ILE 31 CO -0.12 0.43 0.01 -0.62 -1.91 0.00 0.00 174.94 172.73 2j57 s ASP 32 N -1.27 3.02 0.00 4.50 2.15 -1.26 0.47 116.67 124.29 2j57 s ASP 32 Ca 0.42 -0.84 0.00 0.00 0.43 0.00 0.00 52.55 52.56 2j57 s ASP 32 Cb -0.24 -0.73 0.00 0.00 -0.30 0.00 0.00 42.92 41.65 2j57 s ASP 32 CO 0.29 -0.28 0.00 0.61 -0.17 0.00 0.00 175.17 175.63 2j57 n GLY 33 N 4.96 0.61 2.91 2.66 0.00 -0.21 -4.85 105.19 111.28 2j57 n GLY 33 Ca -0.10 -0.87 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 2j57 n GLY 33 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2j57 s ASN 34 N -4.00 -0.05 -0.21 1.61 0.01 -1.26 -0.24 114.94 110.79 2j57 s ASN 34 Ca 0.00 0.14 -0.29 0.00 -0.71 0.00 0.00 52.86 52.00 2j57 s ASN 34 Cb 0.00 0.11 -0.01 0.00 0.41 0.00 0.00 41.25 41.76 2j57 s ASN 34 CO 0.00 -0.06 1.26 -0.63 -1.51 0.00 0.00 177.10 176.17 2j57 s ILE 35 N 0.35 4.26 0.52 0.60 1.01 -0.63 -1.39 121.20 125.91 2j57 s ILE 35 Ca -0.03 1.49 0.24 0.00 0.00 0.00 0.00 60.65 62.36 2j57 s ILE 35 Cb -0.04 -4.07 0.40 0.00 0.01 0.00 0.00 42.46 38.76 2j57 s ILE 35 CO -0.01 -0.25 1.98 0.00 0.00 0.00 0.00 174.94 176.66 2j57 h ASP 37 N 0.06 0.05 0.36 0.00 3.58 -1.77 -1.26 116.42 117.44 2j57 h ASP 37 Ca 0.28 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.73 2j57 h ASP 37 Cb 1.02 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.07 2j57 h ASP 37 CO -0.02 0.02 0.00 0.00 -2.88 0.00 0.00 179.24 176.36 2j57 n SER 39 N -1.23 1.14 0.00 0.00 3.41 -0.58 -4.94 113.62 111.42 2j57 n SER 39 Ca 0.12 -2.37 0.00 0.00 -0.26 0.00 0.00 58.87 56.36 2j57 n SER 39 Cb 0.17 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 2j57 n SER 39 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2j57 n GLY 40 N 0.18 0.81 0.00 5.00 0.00 -1.19 -4.70 105.19 105.30 2j57 n GLY 40 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2j57 n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2j57 n GLY 41 N -1.60 2.14 3.26 -0.02 0.00 -0.61 -4.21 105.19 104.15 2j57 n GLY 41 Ca 0.00 -1.80 -0.09 0.00 0.00 0.00 0.00 46.02 44.14 2j57 n GLY 41 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2j57 n SER 42 N 0.00 -1.89 -0.36 1.61 3.41 -0.10 -4.42 113.62 111.86 2j57 n SER 42 Ca 0.00 -2.45 0.29 0.00 -0.26 0.00 0.00 58.87 56.45 2j57 n SER 42 Cb 0.00 3.20 0.55 0.00 -0.26 0.00 0.00 64.21 67.70 2j57 n SER 42 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2j57 h LEU 43 N 0.00 0.39 -0.08 1.04 5.85 -1.96 -3.14 115.31 117.41 2j57 h LEU 43 Ca -0.29 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.61 2j57 h LEU 43 Cb 1.08 0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.27 2j57 h LEU 43 CO 0.37 -0.20 0.00 0.35 -0.34 0.00 0.00 178.44 178.62 2j57 n THR 44 N -4.96 0.00 -4.37 1.05 -2.24 -1.26 -0.84 114.28 101.67 2j57 n THR 44 Ca 0.34 -0.28 -0.23 0.00 -2.27 0.00 0.00 64.05 61.60 2j57 n THR 44 Cb 1.17 1.07 -0.08 0.00 -2.10 0.00 0.00 70.33 70.38 2j57 n THR 44 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2j57 s ASN 45 N -0.48 4.15 0.48 3.42 0.01 -1.18 -4.84 114.94 116.49 2j57 s ASN 45 Ca 0.00 -0.82 -0.15 0.00 -0.71 0.00 0.00 52.86 51.19 2j57 s ASN 45 Cb 0.00 -0.61 -0.07 0.00 0.41 0.00 0.00 41.25 40.97 2j57 s ASN 45 CO 0.00 0.00 0.92 0.00 -1.51 0.00 0.00 177.10 176.51 2j57 n PRO 47 N -1.47 -0.15 -1.15 0.00 -0.02 -1.26 -4.35 135.00 126.60 2j57 n PRO 47 Ca 0.05 0.03 -0.34 0.00 -2.02 0.00 0.00 63.50 61.22 2j57 n PRO 47 Cb 0.54 -2.30 0.11 0.00 -0.02 0.00 0.00 33.50 31.83 2j57 n PRO 47 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2j57 n PRO 48 N -3.32 0.21 0.00 0.52 -0.02 -1.26 -2.83 135.00 128.30 2j57 n PRO 48 Ca 0.12 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 2j57 n PRO 48 Cb 0.51 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 2j57 n PRO 48 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2j57 n GLY 49 N 1.03 2.34 3.89 -1.23 0.00 -1.26 -4.97 105.19 104.99 2j57 n GLY 49 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 2j57 n GLY 49 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2j57 s THR 50 N -0.68 3.70 -0.01 2.61 -4.23 -1.13 -4.93 115.64 110.96 2j57 s THR 50 Ca 0.00 0.40 0.04 0.00 -1.18 0.00 0.00 61.69 60.95 2j57 s THR 50 Cb 0.00 -3.52 -0.03 0.00 1.34 0.00 0.00 72.50 70.28 2j57 s THR 50 CO 0.00 -0.65 -0.11 -0.54 -0.54 0.00 0.00 174.62 172.78 2j57 s LYS 51 N -5.24 2.47 -0.45 3.99 -0.14 0.17 -4.86 119.74 115.68 2j57 s LYS 51 Ca 0.56 -0.74 -0.19 0.00 -1.36 0.00 0.00 55.97 54.25 2j57 s LYS 51 Cb -0.11 -2.42 0.04 0.00 -1.68 0.00 0.00 37.83 33.65 2j57 s LYS 51 CO 0.50 0.60 0.55 -1.17 -0.76 0.00 0.00 175.35 175.07 2j57 s LEU 52 N -1.18 4.84 0.58 3.17 2.96 -1.26 0.64 118.68 128.43 2j57 s LEU 52 Ca 0.15 -0.69 -0.19 0.00 -0.22 0.00 0.00 54.13 53.17 2j57 s LEU 52 Cb -0.11 -2.48 -0.05 0.00 0.50 0.00 0.00 46.19 44.05 2j57 s LEU 52 CO 0.05 -0.73 1.07 0.00 -1.32 0.00 0.00 176.35 175.41 2j57 n ALA 53 N 5.93 0.52 -0.10 5.97 0.00 -0.21 -3.83 120.51 128.79 2j57 n ALA 53 Ca -0.06 0.04 -0.11 0.00 0.00 0.00 0.00 53.44 53.31 2j57 n ALA 53 Cb 0.47 -2.17 -0.13 0.00 0.00 0.00 0.00 19.45 17.61 2j57 n ALA 53 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2j57 n THR 54 N -1.53 1.30 -3.91 0.00 -2.24 -0.74 -4.77 114.28 102.38 2j57 n THR 54 Ca 0.13 -0.70 -0.34 0.00 -2.27 0.00 0.00 64.05 60.87 2j57 n THR 54 Cb 0.46 -0.78 -0.05 0.00 -2.10 0.00 0.00 70.33 67.86 2j57 n THR 54 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2j57 s ALA 55 N -2.46 3.92 0.00 6.98 0.00 -0.90 -5.02 121.76 124.29 2j57 s ALA 55 Ca -0.17 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.05 2j57 s ALA 55 Cb 0.06 -1.88 0.00 0.00 0.00 0.00 0.00 23.12 21.30 2j57 s ALA 55 CO 0.69 0.72 0.00 -1.13 0.00 0.00 0.00 175.76 176.04 2j57 n SER 56 N 1.15 0.00 -3.56 0.00 3.41 -1.26 -4.38 113.62 108.98 2j57 n SER 56 Ca -0.13 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.39 2j57 n SER 56 Cb 0.53 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.46 2j57 n SER 56 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2j57 s VAL 58 N 1.73 0.00 -0.06 -3.33 -7.23 0.22 -4.86 120.40 106.86 2j57 s VAL 58 Ca 0.00 -0.30 -0.15 0.00 -1.81 0.00 0.00 61.98 59.71 2j57 s VAL 58 Cb 0.00 -1.32 0.03 0.00 0.56 0.00 0.00 36.38 35.65 2j57 s VAL 58 CO 0.00 0.00 0.35 0.00 -0.31 0.00 0.00 175.10 175.14 2j57 s ALA 59 N -3.71 -0.89 -0.40 1.32 0.00 -0.61 -4.49 121.76 112.98 2j57 s ALA 59 Ca 0.05 0.64 -0.29 0.00 0.00 0.00 0.00 51.96 52.36 2j57 s ALA 59 Cb -0.02 -0.17 0.02 0.00 0.00 0.00 0.00 23.12 22.94 2j57 s ALA 59 CO -0.06 -0.24 1.19 0.45 0.00 0.00 0.00 175.76 177.10 2j57 s SER 60 N -0.78 6.67 -0.12 0.00 0.15 -1.26 -1.09 113.70 117.27 2j57 s SER 60 Ca -0.09 0.78 -0.01 0.00 0.70 0.00 0.00 55.95 57.33 2j57 s SER 60 Cb -0.04 -2.55 -0.02 0.00 -1.71 0.00 0.00 66.02 61.70 2j57 s SER 60 CO 0.03 -1.16 -0.08 0.00 1.20 0.00 0.00 173.24 173.23 2j57 s TYR 62 N 0.06 3.56 -0.32 0.00 5.04 -1.26 -0.11 117.35 124.31 2j57 s TYR 62 Ca -0.02 1.61 -0.20 0.00 -2.44 0.00 0.00 57.07 56.02 2j57 s TYR 62 Cb -0.14 -3.18 -0.01 0.00 0.35 0.00 0.00 41.96 38.98 2j57 s TYR 62 CO 0.03 -0.23 0.59 1.21 -1.34 0.00 0.00 175.55 175.82 2j57 s ASN 63 N 1.08 6.43 0.18 4.32 3.84 0.11 -4.87 114.94 126.03 2j57 s ASN 63 Ca 0.51 0.26 0.24 0.00 0.21 0.00 0.00 52.86 54.08 2j57 s ASN 63 Cb -0.20 -2.31 0.91 0.00 -0.55 0.00 0.00 41.25 39.09 2j57 s ASN 63 CO 0.23 -0.49 1.73 -0.81 -2.79 0.00 0.00 177.10 174.97 2j57 n PRO 64 N 5.86 0.17 0.06 0.43 -0.04 -1.26 -0.60 135.00 139.62 2j57 n PRO 64 Ca -0.02 0.27 -0.13 0.00 -0.04 0.00 0.00 63.50 63.58 2j57 n PRO 64 Cb 0.49 -1.76 -0.08 0.00 -0.04 0.00 0.00 33.50 32.11 2j57 n PRO 64 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2j57 h THR 65 N 0.00 1.05 -0.01 0.52 2.02 -1.95 -3.35 112.91 111.19 2j57 h THR 65 Ca 0.00 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.65 2j57 h THR 65 Cb 0.50 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 68.30 2j57 h THR 65 CO 0.00 0.13 -0.40 -0.90 0.37 0.00 0.00 175.52 174.72 2j57 n ASP 66 N -5.03 1.09 -0.85 4.18 5.68 -1.20 -4.98 116.55 115.43 2j57 n ASP 66 Ca -0.08 -1.04 -0.10 0.00 -0.50 0.00 0.00 54.79 53.07 2j57 n ASP 66 Cb 0.17 0.68 -0.03 0.00 -1.14 0.00 0.00 41.12 40.81 2j57 n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2j57 n GLY 67 N 1.13 0.78 3.59 6.12 0.00 0.23 -5.03 105.19 112.02 2j57 n GLY 67 Ca 0.04 -0.56 -0.26 0.00 0.00 0.00 0.00 46.02 45.24 2j57 n GLY 67 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2j57 s GLN 68 N -3.31 2.14 0.04 1.61 -1.52 -1.24 -4.91 119.66 112.47 2j57 s GLN 68 Ca 0.00 -1.28 -0.01 0.00 -1.95 0.00 0.00 55.36 52.12 2j57 s GLN 68 Cb 0.00 -2.18 -0.04 0.00 -0.22 0.00 0.00 33.01 30.57 2j57 s GLN 68 CO 0.00 0.42 0.20 -1.12 -0.25 0.00 0.00 175.29 174.54 2j57 s SER 69 N -3.00 6.36 -0.03 5.90 0.01 -1.26 0.06 113.70 121.74 2j57 s SER 69 Ca 0.26 0.30 0.03 0.00 1.31 0.00 0.00 55.95 57.85 2j57 s SER 69 Cb -0.08 -1.97 0.00 0.00 0.21 0.00 0.00 66.02 64.17 2j57 s SER 69 CO 0.16 0.20 -0.11 -0.31 0.41 0.00 0.00 173.24 173.60 2j57 s TYR 70 N -1.45 1.11 -0.04 2.43 1.51 0.84 -0.83 117.35 120.92 2j57 s TYR 70 Ca 0.32 -0.28 -0.30 0.00 -1.01 0.00 0.00 57.07 55.80 2j57 s TYR 70 Cb -0.13 -0.77 -0.05 0.00 -0.11 0.00 0.00 41.96 40.89 2j57 s TYR 70 CO 0.25 -0.11 1.54 -1.17 -1.11 0.00 0.00 175.55 174.95 2j57 s LEU 71 N 0.15 4.31 -0.12 -1.29 2.96 -0.47 -0.15 118.68 124.06 2j57 s LEU 71 Ca -0.03 2.16 -0.04 0.00 -0.22 0.00 0.00 54.13 55.99 2j57 s LEU 71 Cb -0.09 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.02 2j57 s LEU 71 CO 0.01 -0.85 0.03 -0.63 -1.32 0.00 0.00 176.35 173.59 2j57 s ILE 72 N 3.40 4.56 -0.41 6.68 -1.09 -0.25 -0.77 121.20 133.33 2j57 s ILE 72 Ca 0.68 -0.14 -0.09 0.00 -2.23 0.00 0.00 60.65 58.88 2j57 s ILE 72 Cb -0.32 -2.98 0.07 0.00 -1.58 0.00 0.00 42.46 37.66 2j57 s ILE 72 CO 0.27 0.56 0.24 0.00 -1.23 0.00 0.00 174.94 174.78 2j57 s ALA 73 N -0.43 3.27 -1.42 9.38 0.00 -0.44 -1.57 121.76 130.55 2j57 s ALA 73 Ca 0.09 -2.07 -0.12 0.00 0.00 0.00 0.00 51.96 49.86 2j57 s ALA 73 Cb -0.12 -2.62 0.07 0.00 0.00 0.00 0.00 23.12 20.45 2j57 s ALA 73 CO 0.02 -1.60 2.22 0.66 0.00 0.00 0.00 175.76 177.06 2j57 n TYR 74 N 4.92 3.20 -2.50 0.00 4.01 -1.26 -4.10 117.16 121.43 2j57 n TYR 74 Ca -0.10 -2.93 -0.41 0.00 -0.16 0.00 0.00 57.90 54.30 2j57 n TYR 74 Cb 0.43 -2.35 -0.04 0.00 -0.31 0.00 0.00 39.34 37.08 2j57 n TYR 74 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2j57 s ARG 75 N 2.09 4.61 0.22 -0.72 0.52 -1.26 -4.81 118.95 119.62 2j57 s ARG 75 Ca 0.48 1.75 -0.13 0.00 -0.52 0.00 0.00 55.73 57.31 2j57 s ARG 75 Cb 0.13 -3.24 -0.08 0.00 0.52 0.00 0.00 34.95 32.29 2j57 s ARG 75 CO -0.06 0.13 0.60 -0.51 0.02 0.00 0.00 175.30 175.49 2j57 s ASP 76 N -0.43 6.76 -0.05 0.23 1.01 -0.96 -1.70 116.67 121.52 2j57 s ASP 76 Ca 0.47 1.09 -0.16 0.00 0.71 0.00 0.00 52.55 54.66 2j57 s ASP 76 Cb -0.30 -2.29 -0.05 0.00 1.01 0.00 0.00 42.92 41.28 2j57 s ASP 76 CO 0.37 -0.04 0.44 0.00 0.21 0.00 0.00 175.17 176.15 2j57 n GLY 79 N -0.80 1.03 3.04 0.00 0.00 -0.98 -0.65 105.19 106.82 2j57 n GLY 79 Ca -0.00 -0.65 -0.10 0.00 0.00 0.00 0.00 46.02 45.28 2j57 n GLY 79 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2j57 s TYR 80 N -2.32 0.17 0.77 1.61 1.51 -1.26 -4.91 117.35 112.92 2j57 s TYR 80 Ca 0.00 -0.38 -0.14 0.00 -1.01 0.00 0.00 57.07 55.54 2j57 s TYR 80 Cb 0.00 -0.13 0.06 0.00 -0.11 0.00 0.00 41.96 41.78 2j57 s TYR 80 CO 0.00 -0.24 1.21 1.21 -1.11 0.00 0.00 175.55 176.62 2j57 s ASN 81 N -1.48 3.89 0.31 2.29 3.84 -1.26 -3.79 114.94 118.74 2j57 s ASN 81 Ca -0.15 2.38 -0.29 0.00 0.21 0.00 0.00 52.86 55.01 2j57 s ASN 81 Cb -0.08 -2.59 -0.12 0.00 -0.55 0.00 0.00 41.25 37.90 2j57 s ASN 81 CO -0.00 -2.47 1.45 0.55 -2.79 0.00 0.00 177.10 173.84 2j57 n VAL 82 N -2.99 1.46 -0.02 -5.21 3.14 -1.01 -4.59 118.33 109.11 2j57 n VAL 82 Ca 0.14 -0.37 -0.04 0.00 -2.96 0.00 0.00 64.34 61.11 2j57 n VAL 82 Cb 0.50 -1.75 0.17 0.00 -1.06 0.00 0.00 33.84 31.71 2j57 n VAL 82 CO 0.00 0.00 0.00 0.77 -6.46 0.00 0.00 176.83 171.14 2j57 h SER 83 N 3.69 0.58 0.00 6.55 4.64 -1.77 -3.47 113.55 123.77 2j57 h SER 83 Ca -0.47 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 60.66 2j57 h SER 83 Cb 1.26 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 2j57 h SER 83 CO 0.71 0.80 0.00 0.61 -0.87 0.00 0.00 176.83 178.08 2j57 n GLY 84 N -0.37 0.78 3.41 -0.77 0.00 -1.26 -5.05 105.19 101.93 2j57 n GLY 84 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2j57 n GLY 84 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2j57 s ARG 85 N -0.40 2.16 -1.34 1.61 0.52 -1.26 -4.72 118.95 115.52 2j57 s ARG 85 Ca 0.00 -0.91 -0.09 0.00 -0.52 0.00 0.00 55.73 54.21 2j57 s ARG 85 Cb 0.00 -2.17 0.00 0.00 0.52 0.00 0.00 34.95 33.30 2j57 s ARG 85 CO 0.00 0.56 0.49 0.00 0.02 0.00 0.00 175.30 176.37 2j57 s PRO 87 N -6.61 4.39 0.03 0.00 0.04 -1.26 -1.60 135.00 129.99 2j57 s PRO 87 Ca 0.17 2.08 0.01 0.00 0.04 0.00 0.00 61.00 63.30 2j57 s PRO 87 Cb -0.07 -3.16 -0.02 0.00 0.04 0.00 0.00 34.50 31.28 2j57 s PRO 87 CO 0.90 -0.21 -0.05 0.00 0.04 0.00 0.00 177.00 177.68 2j57 s LEU 89 N -1.67 0.94 0.18 0.00 2.96 -1.26 -1.04 118.68 118.79 2j57 s LEU 89 Ca -0.11 -0.37 0.06 0.00 -0.22 0.00 0.00 54.13 53.49 2j57 s LEU 89 Cb -0.08 -0.59 -0.05 0.00 0.50 0.00 0.00 46.19 45.97 2j57 s LEU 89 CO -0.01 -0.21 -0.13 0.20 -1.32 0.00 0.00 176.35 174.88 2j57 s ASN 90 N 1.87 2.24 -0.27 3.68 0.01 0.18 -5.00 114.94 117.64 2j57 s ASN 90 Ca 0.03 -1.02 0.18 0.00 -0.71 0.00 0.00 52.86 51.34 2j57 s ASN 90 Cb -0.14 -0.08 0.44 0.00 0.41 0.00 0.00 41.25 41.88 2j57 s ASN 90 CO -0.07 -0.24 1.31 0.35 -1.51 0.00 0.00 177.10 176.95 2j57 n THR 91 N -0.30 0.58 -2.10 1.60 -2.24 -1.11 -3.59 114.28 107.11 2j57 n THR 91 Ca -0.09 -1.83 -0.43 0.00 -2.27 0.00 0.00 64.05 59.43 2j57 n THR 91 Cb 0.60 1.12 -0.03 0.00 -2.10 0.00 0.00 70.33 69.93 2j57 n THR 91 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2j57 s GLU 92 N -1.68 3.67 -0.02 -0.78 0.41 -0.23 -1.61 118.70 118.46 2j57 s GLU 92 Ca 0.18 1.55 0.00 0.00 -0.41 0.00 0.00 54.97 56.29 2j57 s GLU 92 Cb 0.37 -4.07 0.00 0.00 -1.78 0.00 0.00 34.13 28.64 2j57 s GLU 92 CO -0.09 -1.45 0.00 0.41 -0.49 0.00 0.00 175.26 173.64 2j57 n GLY 93 N 4.88 0.28 3.68 -1.39 0.00 -1.26 -4.73 105.19 106.65 2j57 n GLY 93 Ca 0.20 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2j57 n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2j57 s GLU 94 N -1.00 4.24 0.24 1.61 -6.30 -0.63 -4.96 118.70 111.90 2j57 s GLU 94 Ca 0.00 2.03 0.06 0.00 -2.50 0.00 0.00 54.97 54.56 2j57 s GLU 94 Cb 0.00 -3.70 -0.03 0.00 0.00 0.00 0.00 34.13 30.40 2j57 s GLU 94 CO 0.00 -0.68 0.26 -0.51 0.02 0.00 0.00 175.26 174.35 2j57 s LEU 95 N 2.96 4.03 1.15 2.70 1.43 -0.91 -5.01 118.68 125.03 2j57 s LEU 95 Ca 0.66 -0.10 -0.13 0.00 -1.03 0.00 0.00 54.13 53.53 2j57 s LEU 95 Cb -0.32 -2.57 0.28 0.00 0.03 0.00 0.00 46.19 43.61 2j57 s LEU 95 CO 0.27 -0.04 1.03 -2.84 0.23 0.00 0.00 176.35 175.00 2j57 s PRO 96 N -3.83 -0.82 0.59 1.29 0.02 -1.26 -4.13 135.00 126.86 2j57 s PRO 96 Ca 0.33 0.86 0.30 0.00 0.02 0.00 0.00 61.00 62.51 2j57 s PRO 96 Cb -0.09 -1.56 1.79 0.00 0.02 0.00 0.00 34.50 34.66 2j57 s PRO 96 CO 0.27 -3.66 2.21 -0.24 -0.33 0.00 0.00 177.00 175.24 2j57 h VAL 97 N -2.58 0.49 0.00 3.83 3.04 -1.97 -0.36 116.25 118.70 2j57 h VAL 97 Ca -0.61 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.08 2j57 h VAL 97 Cb 1.33 0.95 0.00 0.00 -2.01 0.00 0.00 31.29 31.56 2j57 h VAL 97 CO 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 177.06 2j57 n TYR 98 N -3.81 0.00 -3.39 3.17 4.11 -1.26 -3.04 117.16 112.94 2j57 n TYR 98 Ca -0.02 0.00 -0.26 0.00 -0.00 0.00 0.00 57.90 57.62 2j57 n TYR 98 Cb 0.16 -0.13 -0.08 0.00 -0.00 0.00 0.00 39.34 39.28 2j57 n TYR 98 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 2j57 n ARG 99 N -1.13 2.07 0.19 -3.48 5.12 -0.14 -4.99 116.66 114.29 2j57 n ARG 99 Ca 0.12 -4.33 0.14 0.00 -1.93 0.00 0.00 57.85 51.85 2j57 n ARG 99 Cb 0.10 -2.02 0.75 0.00 -1.16 0.00 0.00 32.46 30.13 2j57 n ARG 99 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 2j57 h PRO 100 N 4.21 0.00 -0.98 5.56 0.11 -1.71 -2.58 132.00 136.61 2j57 h PRO 100 Ca 0.17 0.00 0.32 0.00 0.11 0.00 0.00 66.00 66.60 2j57 h PRO 100 Cb 0.72 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 31.67 2j57 h PRO 100 CO 0.74 0.00 0.48 0.93 -0.21 0.00 0.00 178.00 179.95 2j57 h GLU 101 N 0.00 0.24 -0.03 1.05 3.07 -1.92 -2.03 114.58 114.96 2j57 h GLU 101 Ca 0.08 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.93 2j57 h GLU 101 Cb 0.37 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.22 2j57 h GLU 101 CO -0.00 0.16 -0.00 1.19 -1.40 0.00 0.00 179.01 178.96 2j57 n PHE 102 N -5.13 0.10 -3.53 4.33 3.72 -0.97 -0.61 117.46 115.36 2j57 n PHE 102 Ca 0.30 -0.99 -0.38 0.00 -0.05 0.00 0.00 57.45 56.34 2j57 n PHE 102 Cb 0.96 -0.17 -0.09 0.00 -0.94 0.00 0.00 39.48 39.24 2j57 n PHE 102 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2j57 s ALA 103 N -2.88 3.57 -1.28 4.37 0.00 -0.77 -2.14 121.76 122.64 2j57 s ALA 103 Ca 0.33 -0.86 0.12 0.00 0.00 0.00 0.00 51.96 51.55 2j57 s ALA 103 Cb 0.29 -2.51 0.23 0.00 0.00 0.00 0.00 23.12 21.13 2j57 s ALA 103 CO 0.04 -0.41 1.11 0.27 0.00 0.00 0.00 175.76 176.76 2j57 n ASN 104 N 4.76 2.58 0.11 0.00 0.23 -1.26 -4.15 115.26 117.52 2j57 n ASN 104 Ca -0.12 -1.78 0.13 0.00 -0.53 0.00 0.00 54.58 52.28 2j57 n ASN 104 Cb 0.52 -0.14 0.44 0.00 -2.08 0.00 0.00 39.78 38.52 2j57 n ASN 104 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2j57 n ASP 105 N 0.67 0.72 -4.76 0.53 8.00 -1.26 -4.64 116.55 115.81 2j57 n ASP 105 Ca 0.10 0.60 -0.41 0.00 0.71 0.00 0.00 54.79 55.80 2j57 n ASP 105 Cb 0.38 -0.78 -0.03 0.00 -0.02 0.00 0.00 41.12 40.67 2j57 n ASP 105 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2j57 s ILE 106 N -3.17 3.06 -0.52 0.53 1.01 -1.26 -4.96 121.20 115.89 2j57 s ILE 106 Ca 0.08 1.02 -0.28 0.00 0.00 0.00 0.00 60.65 61.47 2j57 s ILE 106 Cb 0.11 -3.65 0.01 0.00 0.01 0.00 0.00 42.46 38.95 2j57 s ILE 106 CO 0.52 0.22 1.44 -0.63 0.00 0.00 0.00 174.94 176.49 2j57 s ILE 107 N -0.86 3.79 -1.22 2.92 -1.09 -1.26 -4.93 121.20 118.55 2j57 s ILE 107 Ca 0.49 0.71 -0.10 0.00 -2.23 0.00 0.00 60.65 59.53 2j57 s ILE 107 Cb -0.37 -4.33 0.20 0.00 -1.58 0.00 0.00 42.46 36.38 2j57 s ILE 107 CO 0.46 -1.02 1.62 0.79 -1.23 0.00 0.00 174.94 175.55 2j57 n TRP 108 N 9.53 3.75 0.13 3.97 7.02 -1.26 -4.53 117.44 136.05 2j57 n TRP 108 Ca 0.14 -3.05 0.02 0.00 -1.02 0.00 0.00 57.50 53.58 2j57 n TRP 108 Cb 0.49 -1.92 0.02 0.00 -2.42 0.00 0.00 31.31 27.47 2j57 n TRP 108 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2j57 s PHE 110 N -0.31 3.05 0.00 0.00 0.08 -1.26 -2.17 117.98 117.37 2j57 s PHE 110 Ca 0.04 0.66 0.00 0.00 0.12 0.00 0.00 56.93 57.75 2j57 s PHE 110 Cb 0.03 -3.92 0.00 0.00 -0.57 0.00 0.00 43.02 38.55 2j57 s PHE 110 CO 0.04 -3.37 0.00 0.41 -0.10 0.00 0.00 175.22 172.21 2j57 n GLY 111 N 3.57 0.40 3.66 4.36 0.00 -1.26 -1.80 105.19 114.13 2j57 n GLY 111 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 2j57 n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j57 n ALA 112 N -1.74 0.60 -1.53 4.61 0.00 -0.92 -4.23 120.51 117.29 2j57 n ALA 112 Ca 0.00 -0.01 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 2j57 n ALA 112 Cb 0.00 -2.21 0.05 0.00 0.00 0.00 0.00 19.45 17.30 2j57 n ALA 112 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2j57 s GLU 113 N -3.06 2.73 -1.64 0.00 8.01 -1.26 -3.43 118.70 120.05 2j57 s GLU 113 Ca 0.79 1.54 0.00 0.00 0.01 0.00 0.00 54.97 57.32 2j57 s GLU 113 Cb -0.40 -1.93 0.00 0.00 -4.31 0.00 0.00 34.13 27.50 2j57 s GLU 113 CO 0.44 -1.34 0.00 -0.25 0.01 0.00 0.00 175.26 174.12 2j57 n ASP 114 N -2.27 -5.06 -2.30 -0.19 8.00 -1.26 -2.36 116.55 111.10 2j57 n ASP 114 Ca 0.12 0.19 -0.07 0.00 0.71 0.00 0.00 54.79 55.74 2j57 n ASP 114 Cb 0.51 -4.11 -0.01 0.00 -0.02 0.00 0.00 41.12 37.49 2j57 n ASP 114 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2j57 n ASP 115 N -1.04 -2.59 -4.64 -2.24 8.00 -1.22 -4.89 116.55 107.93 2j57 n ASP 115 Ca -0.19 0.30 -0.52 0.00 0.71 0.00 0.00 54.79 55.10 2j57 n ASP 115 Cb 0.61 -2.31 -0.06 0.00 -0.02 0.00 0.00 41.12 39.35 2j57 n ASP 115 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2j57 n ALA 116 N -2.05 0.60 -0.25 2.24 0.00 -1.00 -4.88 120.51 115.18 2j57 n ALA 116 Ca -0.08 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.59 2j57 n ALA 116 Cb 0.52 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.54 2j57 n ALA 116 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2j57 n MET 117 N 6.65 0.41 -2.86 0.00 2.81 -1.26 -4.58 117.12 118.28 2j57 n MET 117 Ca 0.28 -0.27 -0.36 0.00 -1.81 0.00 0.00 57.70 55.53 2j57 n MET 117 Cb 0.23 -0.74 -0.06 0.00 -0.71 0.00 0.00 33.22 31.94 2j57 n MET 117 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 2j57 s THR 118 N -0.14 4.31 -0.04 2.03 -4.23 -1.26 -4.86 115.64 111.45 2j57 s THR 118 Ca 0.00 1.66 -0.26 0.00 -1.18 0.00 0.00 61.69 61.91 2j57 s THR 118 Cb 0.00 -3.94 -0.03 0.00 1.34 0.00 0.00 72.50 69.87 2j57 s THR 118 CO 0.00 0.12 0.82 -0.47 -0.54 0.00 0.00 174.62 174.55 2j57 s TYR 119 N -1.64 3.61 0.02 3.99 5.04 -1.26 -2.31 117.35 124.80 2j57 s TYR 119 Ca 0.49 1.44 -0.05 0.00 -2.44 0.00 0.00 57.07 56.52 2j57 s TYR 119 Cb -0.17 -2.94 -0.02 0.00 0.35 0.00 0.00 41.96 39.18 2j57 s TYR 119 CO 0.22 0.04 -0.10 1.58 -1.34 0.00 0.00 175.55 175.95 2j57 n HIS 120 N 3.86 0.00 -3.83 4.97 -0.00 -0.62 -2.41 115.22 117.20 2j57 n HIS 120 Ca 0.02 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.68 2j57 n HIS 120 Cb 0.51 -0.14 -0.01 0.00 -0.00 0.00 0.00 29.99 30.35 2j57 n HIS 120 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2j57 s THR 122 N -3.41 2.00 0.41 0.00 2.01 -0.49 -0.39 115.64 115.76 2j57 s THR 122 Ca 0.13 -1.50 0.08 0.00 0.31 0.00 0.00 61.69 60.70 2j57 s THR 122 Cb -0.05 -1.75 -0.03 0.00 0.01 0.00 0.00 72.50 70.68 2j57 s THR 122 CO 0.07 0.16 0.32 0.27 -0.69 0.00 0.00 174.62 174.75 2j57 s ILE 123 N -0.95 2.65 -0.35 1.82 -4.36 -0.69 -2.56 121.20 116.76 2j57 s ILE 123 Ca 0.11 -1.44 0.15 0.00 -0.26 0.00 0.00 60.65 59.20 2j57 s ILE 123 Cb -0.10 -3.01 0.45 0.00 1.25 0.00 0.00 42.46 41.05 2j57 s ILE 123 CO 0.04 -0.02 1.01 -1.20 0.24 0.00 0.00 174.94 175.00 2j57 n SER 124 N -1.45 2.39 -4.76 4.36 7.64 -0.02 -4.02 113.62 117.77 2j57 n SER 124 Ca 0.02 -2.97 -0.41 0.00 1.01 0.00 0.00 58.87 56.52 2j57 n SER 124 Cb 0.62 -0.51 -0.03 0.00 -1.01 0.00 0.00 64.21 63.29 2j57 n SER 124 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2j57 s PRO 125 N -3.28 4.46 0.19 1.43 0.04 -1.26 -4.83 135.00 131.76 2j57 s PRO 125 Ca 0.33 2.04 -0.30 0.00 0.04 0.00 0.00 61.00 63.10 2j57 s PRO 125 Cb 0.44 -3.14 -0.09 0.00 0.04 0.00 0.00 34.50 31.75 2j57 s PRO 125 CO -0.03 -0.07 1.38 0.42 0.04 0.00 0.00 177.00 178.74 2j57 s ILE 126 N -0.86 3.05 -0.01 0.56 1.01 -1.26 -1.33 121.20 122.36 2j57 s ILE 126 Ca 0.49 0.83 0.01 0.00 0.00 0.00 0.00 60.65 61.99 2j57 s ILE 126 Cb -0.36 -3.53 0.02 0.00 0.01 0.00 0.00 42.46 38.60 2j57 s ILE 126 CO 0.46 0.11 0.96 1.33 0.00 0.00 0.00 174.94 177.79 2j57 n VAL 127 N 2.90 0.94 -2.19 2.92 0.24 0.05 -4.90 118.33 118.28 2j57 n VAL 127 Ca 0.08 -0.97 0.00 0.00 -2.04 0.00 0.00 64.34 61.41 2j57 n VAL 127 Cb 0.42 0.50 0.00 0.00 -1.47 0.00 0.00 33.84 33.29 2j57 n VAL 127 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2j57 n GLY 128 N -0.51 -2.08 3.75 7.63 0.00 -1.21 -4.93 105.19 107.83 2j57 n GLY 128 Ca 0.01 -1.27 -0.41 0.00 0.00 0.00 0.00 46.02 44.36 2j57 n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j57 s LYS 129 N -1.99 4.50 -0.23 1.61 -0.14 -1.26 -1.37 119.74 120.86 2j57 s LYS 129 Ca 0.00 1.96 0.15 0.00 -1.36 0.00 0.00 55.97 56.72 2j57 s LYS 129 Cb 0.00 -3.17 0.47 0.00 -1.68 0.00 0.00 37.83 33.45 2j57 s LYS 129 CO 0.00 -0.02 1.17 0.00 -0.76 0.00 0.00 175.35 175.74 2j57 n ALA 130 N 1.57 3.71 1.93 5.17 0.00 -0.01 -4.50 120.51 128.38 2j57 n ALA 130 Ca 0.01 -3.21 0.15 0.00 0.00 0.00 0.00 53.44 50.40 2j57 n ALA 130 Cb 0.44 -0.56 0.92 0.00 0.00 0.00 0.00 19.45 20.25 2j57 n ALA 130 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93