#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k89 n ASN 50 N 0.00 -3.42 0.00 0.00 3.02 -1.26 -3.66 115.26 109.94 2k89 n ASN 50 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2k89 n ASN 50 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2k89 n ASN 50 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 2k89 n GLN 51 N -0.72 0.00 -0.19 3.52 -0.06 -1.26 -4.79 117.38 113.88 2k89 n GLN 51 Ca 0.00 0.00 0.08 0.00 -2.00 0.00 0.00 57.00 55.08 2k89 n GLN 51 Cb 0.00 -0.07 0.16 0.00 -4.06 0.00 0.00 30.24 26.28 2k89 n GLN 51 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 2k89 n GLN 52 N -1.06 2.10 0.12 3.69 6.02 -1.26 -3.88 117.38 123.11 2k89 n GLN 52 Ca 0.00 -2.51 0.12 0.00 -0.01 0.00 0.00 57.00 54.60 2k89 n GLN 52 Cb 0.00 -1.54 0.28 0.00 1.02 0.00 0.00 30.24 30.00 2k89 n GLN 52 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 2k89 h THR 53 N 0.71 0.00 0.00 5.09 2.02 -1.89 -3.42 112.91 115.42 2k89 h THR 53 Ca 0.00 -0.63 0.00 0.00 0.77 0.00 0.00 66.41 66.55 2k89 h THR 53 Cb 1.07 1.50 0.00 0.00 -1.74 0.00 0.00 68.15 68.98 2k89 h THR 53 CO 0.07 0.00 0.00 -0.24 0.37 0.00 0.00 175.52 175.72 2k89 n SER 54 N -2.44 0.00 -4.02 4.18 2.88 -1.26 -5.12 113.62 107.84 2k89 n SER 54 Ca 0.04 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.28 2k89 n SER 54 Cb 0.46 0.00 0.21 0.00 -0.75 0.00 0.00 64.21 64.13 2k89 n SER 54 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2k89 s GLY 55 N 0.00 1.67 1.04 0.46 0.00 -1.24 -4.86 107.32 104.39 2k89 s GLY 55 Ca 0.00 -1.03 -0.16 0.00 0.00 0.00 0.00 44.72 43.53 2k89 s GLY 55 CO 0.00 -0.22 1.16 0.54 0.00 0.00 0.00 173.10 174.58 2k89 s LYS 56 N -5.62 0.06 -0.26 2.90 3.01 -1.26 -4.84 119.74 113.73 2k89 s LYS 56 Ca 0.72 0.04 -0.16 0.00 -1.01 0.00 0.00 55.97 55.56 2k89 s LYS 56 Cb -0.07 -1.74 -0.03 0.00 -1.01 0.00 0.00 37.83 34.97 2k89 s LYS 56 CO 0.54 -2.88 0.41 0.08 0.51 0.00 0.00 175.35 174.02 2k89 s VAL 57 N -3.27 5.15 -0.41 3.17 1.01 0.57 -4.85 120.40 121.77 2k89 s VAL 57 Ca 0.69 0.67 -0.20 0.00 0.00 0.00 0.00 61.98 63.14 2k89 s VAL 57 Cb -0.11 -3.74 0.01 0.00 0.00 0.00 0.00 36.38 32.55 2k89 s VAL 57 CO 0.55 0.15 0.60 -0.22 0.00 0.00 0.00 175.10 176.17 2k89 s LEU 58 N 2.06 4.46 -0.24 3.92 2.96 -1.26 -0.30 118.68 130.30 2k89 s LEU 58 Ca 0.17 -0.23 -0.04 0.00 -0.22 0.00 0.00 54.13 53.81 2k89 s LEU 58 Cb -0.16 -2.68 0.00 0.00 0.50 0.00 0.00 46.19 43.85 2k89 s LEU 58 CO 0.09 -0.67 -0.03 -0.72 -1.32 0.00 0.00 176.35 173.70 2k89 s TYR 59 N 2.66 3.01 -1.36 5.38 1.13 0.89 -4.68 117.35 124.37 2k89 s TYR 59 Ca 0.21 -1.05 0.00 0.00 -1.41 0.00 0.00 57.07 54.82 2k89 s TYR 59 Cb -0.15 -2.12 0.00 0.00 -1.10 0.00 0.00 41.96 38.59 2k89 s TYR 59 CO 0.17 -0.58 0.00 0.39 -2.51 0.00 0.00 175.55 173.01 2k89 n GLU 60 N 4.78 -1.44 0.00 -3.49 -0.58 -1.26 -0.74 120.64 117.91 2k89 n GLU 60 Ca -0.17 0.81 0.00 0.00 -0.42 0.00 0.00 57.16 57.38 2k89 n GLU 60 Cb 0.50 -5.05 0.00 0.00 -0.57 0.00 0.00 31.44 26.32 2k89 n GLU 60 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k89 n GLY 61 N -0.12 1.05 3.52 0.62 0.00 -1.26 -5.10 105.19 103.91 2k89 n GLY 61 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 2k89 n GLY 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k89 s LYS 62 N -0.27 2.06 -0.17 1.61 2.20 0.08 -5.09 119.74 120.15 2k89 s LYS 62 Ca 0.00 -1.03 -0.11 0.00 -0.36 0.00 0.00 55.97 54.48 2k89 s LYS 62 Cb 0.00 -2.24 -0.05 0.00 -1.51 0.00 0.00 37.83 34.03 2k89 s LYS 62 CO 0.00 0.52 0.18 -1.21 -0.36 0.00 0.00 175.35 174.48 2k89 s GLU 63 N -1.92 4.08 0.20 4.03 2.02 -1.26 -0.08 118.70 125.77 2k89 s GLU 63 Ca 0.18 -0.11 0.01 0.00 0.02 0.00 0.00 54.97 55.08 2k89 s GLU 63 Cb -0.11 -3.38 -0.05 0.00 0.10 0.00 0.00 34.13 30.70 2k89 s GLU 63 CO 0.10 0.37 0.03 -0.06 0.02 0.00 0.00 175.26 175.72 2k89 s PHE 64 N 0.13 1.29 0.02 1.61 0.08 0.59 -4.96 117.98 116.74 2k89 s PHE 64 Ca 0.12 -1.08 -0.17 0.00 0.12 0.00 0.00 56.93 55.92 2k89 s PHE 64 Cb -0.12 -0.74 -0.09 0.00 -0.57 0.00 0.00 43.02 41.50 2k89 s PHE 64 CO 0.01 -0.27 1.11 -0.44 -0.10 0.00 0.00 175.22 175.53 2k89 h ASP 65 N 2.61 -0.52 -3.22 1.36 3.32 -1.69 0.16 116.42 118.45 2k89 h ASP 65 Ca -0.37 0.02 -0.42 0.00 0.02 0.00 0.00 57.03 56.28 2k89 h ASP 65 Cb 1.22 0.13 -0.40 0.00 0.22 0.00 0.00 39.33 40.51 2k89 h ASP 65 CO 0.62 -0.33 -0.75 -0.31 -1.72 0.00 0.00 179.24 176.75 2k89 s TYR 66 N -4.08 0.28 -0.03 4.55 2.02 -0.20 -3.70 117.35 116.17 2k89 s TYR 66 Ca -0.09 -0.07 -0.01 0.00 -0.37 0.00 0.00 57.07 56.53 2k89 s TYR 66 Cb 0.01 -0.64 -0.04 0.00 -0.40 0.00 0.00 41.96 40.89 2k89 s TYR 66 CO 0.27 -0.34 0.06 0.14 -1.57 0.00 0.00 175.55 174.11 2k89 s VAL 67 N 2.10 4.67 0.18 0.71 -7.23 -1.26 -0.65 120.40 118.93 2k89 s VAL 67 Ca 0.04 -0.32 0.04 0.00 -1.81 0.00 0.00 61.98 59.92 2k89 s VAL 67 Cb -0.14 -3.08 -0.03 0.00 0.56 0.00 0.00 36.38 33.68 2k89 s VAL 67 CO -0.06 0.44 0.27 0.12 -0.31 0.00 0.00 175.10 175.56 2k89 s PHE 68 N -1.10 3.40 -0.30 2.82 5.36 0.46 -4.81 117.98 123.80 2k89 s PHE 68 Ca 0.20 0.05 -0.16 0.00 -0.96 0.00 0.00 56.93 56.05 2k89 s PHE 68 Cb -0.12 -1.60 -0.02 0.00 -0.34 0.00 0.00 43.02 40.94 2k89 s PHE 68 CO 0.10 0.50 0.43 -1.12 -1.46 0.00 0.00 175.22 173.67 2k89 s SER 69 N -3.44 6.29 -0.26 6.13 0.01 -1.26 0.22 113.70 121.39 2k89 s SER 69 Ca 0.34 0.19 -0.06 0.00 1.31 0.00 0.00 55.95 57.72 2k89 s SER 69 Cb -0.10 -2.24 -0.01 0.00 0.21 0.00 0.00 66.02 63.88 2k89 s SER 69 CO 0.28 -0.29 0.05 -0.63 0.41 0.00 0.00 173.24 173.05 2k89 s ILE 70 N 2.19 3.97 -0.25 1.44 -1.09 0.18 -4.95 121.20 122.68 2k89 s ILE 70 Ca 0.17 -0.45 -0.09 0.00 -2.23 0.00 0.00 60.65 58.04 2k89 s ILE 70 Cb -0.16 -2.92 -0.04 0.00 -1.58 0.00 0.00 42.46 37.76 2k89 s ILE 70 CO 0.11 0.25 0.12 1.51 -1.23 0.00 0.00 174.94 175.70 2k89 s ASP 71 N 1.54 5.65 -0.02 3.58 -4.77 -1.26 -1.21 116.67 120.18 2k89 s ASP 71 Ca 0.05 -0.05 0.16 0.00 -3.30 0.00 0.00 52.55 49.41 2k89 s ASP 71 Cb -0.16 -2.02 -0.25 0.00 -1.09 0.00 0.00 42.92 39.40 2k89 s ASP 71 CO 0.02 0.00 0.36 0.55 0.70 0.00 0.00 175.17 176.80 2k89 n VAL 72 N 4.69 0.00 -3.68 2.11 3.14 -1.26 -5.00 118.33 118.33 2k89 n VAL 72 Ca -0.15 -0.36 -0.10 0.00 -2.96 0.00 0.00 64.34 60.76 2k89 n VAL 72 Cb 0.52 0.15 -0.09 0.00 -1.06 0.00 0.00 33.84 33.36 2k89 n VAL 72 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 2k89 s ASN 73 N -3.83 -0.64 0.21 6.55 3.04 -1.26 -5.06 114.94 113.94 2k89 s ASN 73 Ca -0.06 1.11 -0.31 0.00 0.04 0.00 0.00 52.86 53.64 2k89 s ASN 73 Cb 0.10 1.03 -0.11 0.00 -1.54 0.00 0.00 41.25 40.73 2k89 s ASN 73 CO 0.67 -0.20 1.61 -0.70 -3.04 0.00 0.00 177.10 175.44 2k89 s GLU 74 N 1.14 4.17 0.00 0.43 2.56 -1.26 -1.59 118.70 124.16 2k89 s GLU 74 Ca -0.07 2.47 0.00 0.00 0.00 0.00 0.00 54.97 57.37 2k89 s GLU 74 Cb -0.06 -3.10 0.00 0.00 2.00 0.00 0.00 34.13 32.97 2k89 s GLU 74 CO -0.11 -0.64 0.00 0.41 -0.56 0.00 0.00 175.26 174.36 2k89 n GLY 75 N 3.42 3.03 0.00 -1.50 0.00 -1.26 -4.93 105.19 103.96 2k89 n GLY 75 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2k89 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k89 n GLY 76 N -0.38 2.16 3.87 -0.02 0.00 -0.62 -4.89 105.19 105.30 2k89 n GLY 76 Ca 0.00 -1.86 -0.31 0.00 0.00 0.00 0.00 46.02 43.86 2k89 n GLY 76 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k89 s PRO 77 N -1.53 3.19 -0.25 1.61 0.04 -1.26 -4.39 135.00 132.42 2k89 s PRO 77 Ca 0.00 0.65 -0.17 0.00 0.04 0.00 0.00 61.00 61.52 2k89 s PRO 77 Cb 0.00 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 2k89 s PRO 77 CO 0.00 -0.84 0.47 0.45 0.04 0.00 0.00 177.00 177.12 2k89 s SER 78 N -4.21 6.42 0.27 6.66 0.15 -1.26 -4.37 113.70 117.35 2k89 s SER 78 Ca 0.57 0.50 0.08 0.00 0.70 0.00 0.00 55.95 57.80 2k89 s SER 78 Cb -0.11 -2.26 -0.04 0.00 -1.71 0.00 0.00 66.02 61.89 2k89 s SER 78 CO 0.53 -0.22 0.11 -0.31 1.20 0.00 0.00 173.24 174.54 2k89 s TYR 79 N 2.03 2.88 0.04 3.44 2.02 -0.35 -4.99 117.35 122.43 2k89 s TYR 79 Ca 0.20 -0.19 0.03 0.00 -0.37 0.00 0.00 57.07 56.75 2k89 s TYR 79 Cb -0.15 -1.34 -0.02 0.00 -0.40 0.00 0.00 41.96 40.05 2k89 s TYR 79 CO 0.09 0.54 -0.10 0.15 -1.57 0.00 0.00 175.55 174.66 2k89 s LYS 80 N -3.77 0.69 -0.53 -0.62 -0.14 -1.26 0.52 119.74 114.63 2k89 s LYS 80 Ca 0.33 -0.68 -0.00 0.00 -1.36 0.00 0.00 55.97 54.25 2k89 s LYS 80 Cb -0.07 -0.61 0.14 0.00 -1.68 0.00 0.00 37.83 35.61 2k89 s LYS 80 CO 0.23 0.14 0.31 -1.17 -0.76 0.00 0.00 175.35 174.10 2k89 s LEU 81 N -1.18 4.97 0.04 3.17 0.20 0.13 -4.88 118.68 121.13 2k89 s LEU 81 Ca -0.03 -2.66 -0.30 0.00 0.69 0.00 0.00 54.13 51.83 2k89 s LEU 81 Cb -0.08 -1.77 -0.06 0.00 -0.43 0.00 0.00 46.19 43.85 2k89 s LEU 81 CO 0.01 -0.37 1.27 -2.84 -0.29 0.00 0.00 176.35 174.12 2k89 s PRO 82 N 0.22 4.37 -0.06 0.98 0.02 -1.26 -0.41 135.00 138.87 2k89 s PRO 82 Ca 0.15 1.84 0.03 0.00 0.02 0.00 0.00 61.00 63.04 2k89 s PRO 82 Cb -0.22 -3.41 0.01 0.00 0.02 0.00 0.00 34.50 30.90 2k89 s PRO 82 CO -0.03 -0.38 -0.14 -0.47 -0.33 0.00 0.00 177.00 175.65 2k89 s TYR 83 N 1.50 1.56 -0.19 6.54 5.04 0.18 -4.89 117.35 127.09 2k89 s TYR 83 Ca 0.60 -0.55 -0.07 0.00 -2.44 0.00 0.00 57.07 54.61 2k89 s TYR 83 Cb -0.30 -1.11 -0.04 0.00 0.35 0.00 0.00 41.96 40.86 2k89 s TYR 83 CO 0.28 -0.25 0.07 -0.80 -1.34 0.00 0.00 175.55 173.50 2k89 s ASN 84 N 0.48 5.58 0.09 4.32 0.02 -1.26 -1.04 114.94 123.12 2k89 s ASN 84 Ca -0.12 0.05 0.13 0.00 -1.02 0.00 0.00 52.86 51.90 2k89 s ASN 84 Cb -0.15 -1.96 0.57 0.00 0.02 0.00 0.00 41.25 39.73 2k89 s ASN 84 CO 0.04 0.15 1.40 0.35 0.02 0.00 0.00 177.10 179.05 2k89 n THR 85 N 3.72 1.26 0.98 1.60 -2.24 -1.26 -0.53 114.28 117.80 2k89 n THR 85 Ca -0.16 0.38 0.13 0.00 -2.27 0.00 0.00 64.05 62.12 2k89 n THR 85 Cb 0.52 -1.26 0.41 0.00 -2.10 0.00 0.00 70.33 67.89 2k89 n THR 85 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2k89 n SER 86 N -1.73 0.30 -2.04 3.42 3.41 -1.26 -4.91 113.62 110.81 2k89 n SER 86 Ca 0.02 0.10 -0.00 0.00 -0.26 0.00 0.00 58.87 58.72 2k89 n SER 86 Cb 0.11 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 2k89 n SER 86 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2k89 n ASP 87 N -1.54 0.17 -4.44 4.04 2.03 0.31 -5.13 116.55 111.99 2k89 n ASP 87 Ca 0.06 -1.02 -0.30 0.00 0.52 0.00 0.00 54.79 54.05 2k89 n ASP 87 Cb 0.34 -0.01 -0.13 0.00 -0.72 0.00 0.00 41.12 40.61 2k89 n ASP 87 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2k89 s ASP 88 N -1.05 3.62 0.04 1.67 1.01 -1.26 -4.99 116.67 115.71 2k89 s ASP 88 Ca 0.01 -0.58 -0.14 0.00 0.71 0.00 0.00 52.55 52.55 2k89 s ASP 88 Cb -0.00 -0.44 -0.06 0.00 1.01 0.00 0.00 42.92 43.44 2k89 s ASP 88 CO 0.01 0.21 1.22 1.55 0.21 0.00 0.00 175.17 178.37 2k89 h PRO 89 N 4.10 -0.26 0.00 8.23 0.13 -1.94 0.19 132.00 142.45 2k89 h PRO 89 Ca -0.49 0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 64.61 2k89 h PRO 89 Cb 1.16 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2k89 h PRO 89 CO 0.44 -0.17 -0.20 -1.49 -0.23 0.00 0.00 178.00 176.35 2k89 h TRP 90 N -0.27 0.00 -0.08 1.56 6.55 -1.88 0.23 115.95 122.06 2k89 h TRP 90 Ca 0.01 0.00 -0.07 0.00 0.95 0.00 0.00 58.89 59.77 2k89 h TRP 90 Cb 0.29 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.59 2k89 h TRP 90 CO -0.43 0.20 -0.24 -0.07 -1.05 0.00 0.00 178.44 176.85 2k89 h LEU 91 N 0.00 0.35 -0.16 -4.49 3.38 -1.88 0.18 115.31 112.69 2k89 h LEU 91 Ca -0.00 -0.61 -0.00 0.00 0.09 0.00 0.00 57.88 57.36 2k89 h LEU 91 Cb 0.38 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2k89 h LEU 91 CO 0.03 0.90 0.09 0.74 0.09 0.00 0.00 178.44 180.28 2k89 h THR 92 N -0.18 1.10 -0.71 0.22 2.02 -0.14 -1.00 112.91 114.23 2k89 h THR 92 Ca -0.01 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 66.86 2k89 h THR 92 Cb 0.86 1.01 -0.03 0.00 -1.74 0.00 0.00 68.15 68.25 2k89 h THR 92 CO 0.05 0.10 0.36 0.00 0.37 0.00 0.00 175.52 176.40 2k89 h ALA 93 N 0.97 0.91 -0.77 6.16 0.00 -0.59 -2.46 119.26 123.48 2k89 h ALA 93 Ca 0.06 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2k89 h ALA 93 Cb 0.08 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2k89 h ALA 93 CO -0.01 0.45 0.27 -0.92 0.00 0.00 0.00 179.25 179.04 2k89 h TYR 94 N 0.98 1.20 -0.41 0.00 5.03 -0.45 0.87 116.97 124.19 2k89 h TYR 94 Ca 0.25 -0.11 0.03 0.00 2.58 0.00 0.00 58.73 61.48 2k89 h TYR 94 Cb 0.08 -0.35 -0.03 0.00 1.55 0.00 0.00 36.73 37.97 2k89 h TYR 94 CO 0.00 0.92 0.21 -0.97 -1.32 0.00 0.00 178.16 177.00 2k89 h ASN 95 N 1.13 0.30 -0.36 -2.11 -0.73 -0.74 0.25 115.58 113.32 2k89 h ASN 95 Ca 0.25 0.02 -0.15 0.00 1.87 0.00 0.00 56.30 58.29 2k89 h ASN 95 Cb 0.26 -0.04 -0.01 0.00 0.27 0.00 0.00 38.32 38.81 2k89 h ASN 95 CO -0.01 0.22 -0.36 0.15 -0.37 0.00 0.00 177.43 177.05 2k89 h PHE 96 N 0.42 1.08 -0.31 0.67 3.57 -1.22 -1.23 116.94 119.92 2k89 h PHE 96 Ca 0.18 -0.31 0.00 0.00 3.53 0.00 0.00 57.97 61.37 2k89 h PHE 96 Cb 0.08 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.58 2k89 h PHE 96 CO -0.10 1.13 0.20 1.25 -2.23 0.00 0.00 178.31 178.55 2k89 h LEU 97 N 0.75 0.36 -0.61 0.59 5.85 -0.17 -1.03 115.31 121.05 2k89 h LEU 97 Ca 0.07 -0.03 -0.14 0.00 0.84 0.00 0.00 57.88 58.62 2k89 h LEU 97 Cb 0.94 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 2k89 h LEU 97 CO 0.09 0.28 -0.43 0.06 -0.34 0.00 0.00 178.44 178.10 2k89 h GLN 98 N 0.41 0.61 -0.55 1.25 3.07 -0.54 0.56 115.11 119.91 2k89 h GLN 98 Ca 0.11 -0.32 0.02 0.00 0.09 0.00 0.00 58.65 58.55 2k89 h GLN 98 Cb -0.02 0.01 -0.03 0.00 0.08 0.00 0.00 27.48 27.52 2k89 h GLN 98 CO -0.02 0.92 0.34 -0.22 0.09 0.00 0.00 178.83 179.94 2k89 h LYS 99 N 0.49 0.67 -0.01 0.06 3.11 -0.78 -2.63 116.57 117.48 2k89 h LYS 99 Ca 0.04 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2k89 h LYS 99 Cb 0.95 -0.15 0.00 0.00 -1.00 0.00 0.00 32.23 32.03 2k89 h LYS 99 CO 0.09 0.44 -0.47 -1.71 -2.81 0.00 0.00 179.45 174.99 2k89 n ASN 100 N -4.75 1.74 -2.48 4.20 5.15 -0.43 -4.96 115.26 113.73 2k89 n ASN 100 Ca 0.04 -1.34 -0.13 0.00 -0.60 0.00 0.00 54.58 52.55 2k89 n ASN 100 Cb 0.06 0.44 0.05 0.00 -0.53 0.00 0.00 39.78 39.80 2k89 n ASN 100 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2k89 n ASP 101 N -0.27 -3.50 -4.14 1.20 9.92 0.23 -5.03 116.55 114.96 2k89 n ASP 101 Ca 0.09 -0.36 -0.30 0.00 -0.53 0.00 0.00 54.79 53.69 2k89 n ASP 101 Cb 0.43 -3.37 0.19 0.00 -0.64 0.00 0.00 41.12 37.73 2k89 n ASP 101 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2k89 s LEU 102 N -4.86 2.69 0.02 0.64 2.01 0.17 -5.00 118.68 114.36 2k89 s LEU 102 Ca 0.20 0.28 -0.24 0.00 0.01 0.00 0.00 54.13 54.38 2k89 s LEU 102 Cb -0.09 -2.32 -0.05 0.00 0.01 0.00 0.00 46.19 43.74 2k89 s LEU 102 CO 0.46 -2.74 0.74 0.21 1.01 0.00 0.00 176.35 176.02 2k89 s ASN 103 N -4.88 7.15 0.21 2.29 3.84 -1.26 -4.83 114.94 117.47 2k89 s ASN 103 Ca 0.74 1.38 0.12 0.00 0.21 0.00 0.00 52.86 55.30 2k89 s ASN 103 Cb -0.04 -2.45 0.65 0.00 -0.55 0.00 0.00 41.25 38.86 2k89 s ASN 103 CO 0.53 0.01 1.31 -2.65 -2.79 0.00 0.00 177.10 173.51 2k89 n PRO 104 N 2.94 0.08 0.25 0.43 -0.02 -1.26 -0.05 135.00 137.36 2k89 n PRO 104 Ca -0.03 0.54 0.11 0.00 -2.02 0.00 0.00 63.50 62.11 2k89 n PRO 104 Cb 0.50 -1.86 0.63 0.00 -0.02 0.00 0.00 33.50 32.75 2k89 n PRO 104 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 2k89 h MET 105 N 0.00 0.00 0.00 -0.52 1.85 -2.04 -2.67 114.93 111.55 2k89 h MET 105 Ca 0.00 0.00 -0.07 0.00 -0.61 0.00 0.00 59.70 59.02 2k89 h MET 105 Cb 0.21 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.23 2k89 h MET 105 CO 0.00 0.17 -0.56 0.74 -0.40 0.00 0.00 176.91 176.86 2k89 h PHE 106 N 0.00 0.00 -0.65 1.39 0.04 -0.86 -3.33 116.94 113.53 2k89 h PHE 106 Ca -0.00 0.00 0.11 0.00 2.80 0.00 0.00 57.97 60.88 2k89 h PHE 106 Cb 0.45 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 38.52 2k89 h PHE 106 CO 0.00 0.31 0.22 1.25 -0.60 0.00 0.00 178.31 179.49 2k89 h LEU 107 N 0.00 0.18 -0.41 1.54 5.85 -1.57 -0.19 115.31 120.71 2k89 h LEU 107 Ca -0.03 0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 2k89 h LEU 107 Cb 1.26 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.36 2k89 h LEU 107 CO 0.04 0.10 0.06 -0.78 -0.34 0.00 0.00 178.44 177.51 2k89 h ASP 108 N 0.38 0.66 -0.06 1.25 3.58 -1.71 -1.05 116.42 119.46 2k89 h ASP 108 Ca 0.34 -0.27 0.00 0.00 0.42 0.00 0.00 57.03 57.52 2k89 h ASP 108 Cb 0.46 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.34 2k89 h ASP 108 CO -0.36 0.76 0.04 -0.61 -2.88 0.00 0.00 179.24 176.19 2k89 h GLN 109 N 0.53 0.09 -0.34 0.28 4.15 -1.38 -0.10 115.11 118.33 2k89 h GLN 109 Ca 0.12 -0.01 -0.12 0.00 0.77 0.00 0.00 58.65 59.41 2k89 h GLN 109 Cb 0.39 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.05 2k89 h GLN 109 CO 0.01 0.08 -0.27 -0.39 -1.93 0.00 0.00 178.83 176.33 2k89 h VAL 110 N 0.06 1.29 -0.75 2.39 -1.51 -1.06 -2.69 116.25 113.98 2k89 h VAL 110 Ca 0.02 -1.42 -0.05 0.00 -1.23 0.00 0.00 66.70 64.02 2k89 h VAL 110 Cb 0.02 1.44 -0.03 0.00 -2.13 0.00 0.00 31.29 30.59 2k89 h VAL 110 CO -0.00 0.47 0.26 0.00 -1.23 0.00 0.00 177.57 177.06 2k89 h ALA 111 N 0.75 0.98 -0.71 5.19 0.00 -1.06 -0.68 119.26 123.74 2k89 h ALA 111 Ca 0.06 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 2k89 h ALA 111 Cb 0.83 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 2k89 h ALA 111 CO 0.07 0.65 0.24 0.87 0.00 0.00 0.00 179.25 181.07 2k89 h LYS 112 N 1.11 1.08 -0.66 0.00 1.79 -0.96 0.64 116.57 119.57 2k89 h LYS 112 Ca 0.24 -0.21 -0.08 0.00 -2.18 0.00 0.00 60.65 58.42 2k89 h LYS 112 Cb 0.28 -0.17 -0.03 0.00 -1.58 0.00 0.00 32.23 30.74 2k89 h LYS 112 CO -0.01 0.91 0.08 0.35 -1.08 0.00 0.00 179.45 179.70 2k89 h PHE 113 N 1.04 1.18 -0.37 -1.35 3.04 -1.12 -0.99 116.94 118.37 2k89 h PHE 113 Ca 0.23 -0.17 0.04 0.00 3.98 0.00 0.00 57.97 62.05 2k89 h PHE 113 Cb 0.27 -0.32 -0.04 0.00 2.56 0.00 0.00 35.95 38.42 2k89 h PHE 113 CO 0.02 1.00 0.14 0.82 -2.02 0.00 0.00 178.31 178.27 2k89 h ILE 114 N 1.02 0.90 -0.08 1.41 2.04 -0.42 -2.40 117.51 119.97 2k89 h ILE 114 Ca 0.20 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.95 2k89 h ILE 114 Cb 0.47 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 37.13 2k89 h ILE 114 CO 0.02 0.05 0.05 0.40 0.00 0.00 0.00 178.15 178.68 2k89 h ILE 115 N 0.30 1.03 -0.73 -0.67 2.04 -0.62 -2.96 117.51 115.90 2k89 h ILE 115 Ca 0.17 -0.07 0.09 0.00 1.00 0.00 0.00 64.86 66.04 2k89 h ILE 115 Cb 0.14 0.93 -0.05 0.00 -0.74 0.00 0.00 36.82 37.10 2k89 h ILE 115 CO -0.16 0.03 0.48 -0.78 0.00 0.00 0.00 178.15 177.71 2k89 h ASP 116 N 0.10 0.58 -0.86 1.72 3.58 -0.87 0.33 116.42 121.01 2k89 h ASP 116 Ca 0.03 0.01 0.07 0.00 0.42 0.00 0.00 57.03 57.56 2k89 h ASP 116 Cb 0.00 -0.11 -0.06 0.00 1.72 0.00 0.00 39.33 40.89 2k89 h ASP 116 CO -0.01 0.35 0.56 -1.13 -2.88 0.00 0.00 179.24 176.14 2k89 h ASN 117 N 0.65 0.84 -0.28 2.28 -1.24 -1.27 -1.21 115.58 115.36 2k89 h ASN 117 Ca 0.33 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.35 2k89 h ASN 117 Cb 0.43 -0.17 0.00 0.00 0.73 0.00 0.00 38.32 39.30 2k89 h ASN 117 CO -0.11 0.54 0.00 0.35 -1.29 0.00 0.00 177.43 176.92 2k89 n THR 118 N -4.49 0.35 -3.77 -3.57 -2.24 0.45 -4.31 114.28 96.70 2k89 n THR 118 Ca 0.13 -0.67 -0.35 0.00 -2.27 0.00 0.00 64.05 60.89 2k89 n THR 118 Cb 0.21 1.15 -0.05 0.00 -2.10 0.00 0.00 70.33 69.53 2k89 n THR 118 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2k89 s LYS 119 N -1.63 3.57 0.00 -0.78 2.20 0.88 -4.83 119.74 119.16 2k89 s LYS 119 Ca 0.35 -0.08 0.19 0.00 -0.36 0.00 0.00 55.97 56.07 2k89 s LYS 119 Cb 0.22 -3.09 -0.15 0.00 -1.51 0.00 0.00 37.83 33.30 2k89 s LYS 119 CO 0.31 0.66 0.83 0.41 -0.36 0.00 0.00 175.35 177.21 2k89 n GLY 120 N 1.21 -0.53 0.13 5.54 0.00 -1.26 -3.66 105.19 106.62 2k89 n GLY 120 Ca -0.12 -0.53 0.13 0.00 0.00 0.00 0.00 46.02 45.50 2k89 n GLY 120 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2k89 h GLN 121 N 0.60 0.00 -0.58 1.61 4.20 -1.94 -1.89 115.11 117.11 2k89 h GLN 121 Ca 0.00 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.73 2k89 h GLN 121 Cb 0.50 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.24 2k89 h GLN 121 CO 0.00 0.00 0.36 1.98 -0.67 0.00 0.00 178.83 180.50 2k89 h MET 122 N 0.00 0.69 0.00 1.46 4.05 -1.90 -3.45 114.93 115.78 2k89 h MET 122 Ca 0.00 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.38 2k89 h MET 122 Cb 0.59 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 31.24 2k89 h MET 122 CO 0.00 0.46 0.00 -0.11 0.23 0.00 0.00 176.91 177.49 2k89 n LEU 123 N -4.74 0.00 0.00 3.39 7.94 -1.09 -5.05 117.00 117.45 2k89 n LEU 123 Ca 0.05 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.95 2k89 n LEU 123 Cb 0.07 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.02 2k89 n LEU 123 CO 0.33 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.22 2k89 n GLY 124 N -0.11 -0.51 2.49 -3.96 0.00 -0.73 -5.09 105.19 97.27 2k89 n GLY 124 Ca 0.00 -0.05 -0.15 0.00 0.00 0.00 0.00 46.02 45.82 2k89 n GLY 124 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k89 n LEU 125 N 0.00 0.00 0.00 0.99 4.77 -1.24 -5.00 117.00 116.52 2k89 n LEU 125 Ca 0.00 -1.32 0.00 0.00 -0.03 0.00 0.00 56.01 54.66 2k89 n LEU 125 Cb 0.00 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 2k89 n LEU 125 CO 0.00 -0.84 0.00 0.61 -1.33 0.00 0.00 177.39 175.83 2k89 n GLY 126 N 0.03 -1.38 0.91 -0.72 0.00 -1.26 -4.56 105.19 98.21 2k89 n GLY 126 Ca 0.11 -1.59 -0.03 0.00 0.00 0.00 0.00 46.02 44.51 2k89 n GLY 126 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2k89 n ASN 127 N -2.05 0.44 0.00 1.61 4.13 -1.26 -5.14 115.26 112.99 2k89 n ASN 127 Ca 0.00 0.07 0.05 0.00 1.68 0.00 0.00 54.58 56.37 2k89 n ASN 127 Cb 0.00 -0.16 0.27 0.00 -1.54 0.00 0.00 39.78 38.35 2k89 n ASN 127 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73