#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bqt s PRO 2 N 0.00 3.19 -0.21 1.61 0.04 -1.26 -4.27 135.00 134.10 1bqt s PRO 2 Ca 0.00 -1.37 0.08 0.00 0.04 0.00 0.00 61.00 59.75 1bqt s PRO 2 Cb 0.00 -5.35 0.26 0.00 0.04 0.00 0.00 34.50 29.45 1bqt s PRO 2 CO 0.00 -3.05 1.20 0.39 0.04 0.00 0.00 177.00 175.58 1bqt n GLU 3 N 8.47 0.86 -2.95 4.56 1.02 -1.25 -5.00 120.64 126.34 1bqt n GLU 3 Ca 0.44 -0.89 -0.01 0.00 -0.02 0.00 0.00 57.16 56.68 1bqt n GLU 3 Cb 0.47 0.36 -0.01 0.00 -0.02 0.00 0.00 31.44 32.23 1bqt n GLU 3 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1bqt n THR 4 N -0.98 -5.07 0.00 2.62 -2.24 0.16 -5.01 114.28 103.75 1bqt n THR 4 Ca -0.15 0.94 0.00 0.00 -2.27 0.00 0.00 64.05 62.57 1bqt n THR 4 Cb 0.75 -3.97 0.00 0.00 -2.10 0.00 0.00 70.33 65.01 1bqt n THR 4 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1bqt n LEU 5 N 1.96 0.00 0.00 3.22 4.77 -1.00 -5.01 117.00 120.94 1bqt n LEU 5 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 1bqt n LEU 5 Cb 0.25 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1bqt n LEU 5 CO 0.14 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.20 1bqt n GLY 7 N 0.00 -0.45 2.04 0.00 0.00 -1.26 -5.00 105.19 100.52 1bqt n GLY 7 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1bqt n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bqt n ALA 8 N 0.00 0.05 0.72 4.61 0.00 -1.26 -4.86 120.51 119.77 1bqt n ALA 8 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1bqt n ALA 8 Cb 0.00 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.58 1bqt n ALA 8 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1bqt n GLU 9 N -2.66 2.02 -0.01 0.00 -0.58 -1.26 -0.82 120.64 117.34 1bqt n GLU 9 Ca 0.00 -1.04 -0.01 0.00 -0.42 0.00 0.00 57.16 55.69 1bqt n GLU 9 Cb 0.00 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.35 1bqt n GLU 9 CO 0.00 0.00 0.00 1.47 -0.48 0.00 0.00 177.13 178.12 1bqt n LEU 10 N 0.25 2.70 -0.13 -4.62 -0.00 -1.26 -4.36 117.00 109.58 1bqt n LEU 10 Ca 0.09 -0.01 -0.27 0.00 -0.00 0.00 0.00 56.01 55.83 1bqt n LEU 10 Cb 0.41 -0.07 -0.11 0.00 -0.00 0.00 0.00 43.42 43.66 1bqt n LEU 10 CO 0.09 0.49 -1.28 0.52 -0.00 0.00 0.00 177.39 177.21 1bqt n VAL 11 N -2.52 1.53 -0.02 1.47 0.31 -1.24 -4.24 118.33 113.63 1bqt n VAL 11 Ca -0.04 -0.37 -0.03 0.00 -0.01 0.00 0.00 64.34 63.89 1bqt n VAL 11 Cb 0.54 -1.83 0.22 0.00 -0.91 0.00 0.00 33.84 31.86 1bqt n VAL 11 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1bqt h ASP 12 N -0.81 0.56 -0.44 4.52 1.82 -1.30 -1.63 116.42 119.15 1bqt h ASP 12 Ca -0.62 -0.15 0.09 0.00 -0.39 0.00 0.00 57.03 55.96 1bqt h ASP 12 Cb 1.63 -0.15 -0.09 0.00 0.68 0.00 0.00 39.33 41.39 1bqt h ASP 12 CO -0.33 0.70 -0.27 0.00 -1.61 0.00 0.00 179.24 177.74 1bqt h ALA 13 N 1.36 -0.02 -0.18 -0.78 0.00 -1.72 1.12 119.26 119.04 1bqt h ALA 13 Ca 0.10 0.13 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 1bqt h ALA 13 Cb 0.50 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1bqt h ALA 13 CO 0.03 -0.64 -0.40 1.37 0.00 0.00 0.00 179.25 179.60 1bqt h LEU 14 N -0.18 0.43 0.00 0.00 8.10 -1.68 -1.78 115.31 120.19 1bqt h LEU 14 Ca 0.20 -0.18 0.00 0.00 0.11 0.00 0.00 57.88 58.00 1bqt h LEU 14 Cb 0.50 -0.12 0.00 0.00 -0.44 0.00 0.00 40.66 40.60 1bqt h LEU 14 CO -0.54 0.79 0.00 0.00 -4.11 0.00 0.00 178.44 174.57 1bqt n GLN 15 N -4.03 0.96 -0.03 0.17 6.02 0.71 -0.97 117.38 120.22 1bqt n GLN 15 Ca -0.02 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.94 1bqt n GLN 15 Cb 0.50 -1.18 -0.01 0.00 1.02 0.00 0.00 30.24 30.56 1bqt n GLN 15 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1bqt n PHE 16 N -0.68 0.02 0.12 1.08 7.35 0.35 -3.48 117.46 122.22 1bqt n PHE 16 Ca 0.08 0.01 -0.01 0.00 -0.76 0.00 0.00 57.45 56.77 1bqt n PHE 16 Cb 0.04 -0.19 0.03 0.00 0.35 0.00 0.00 39.48 39.71 1bqt n PHE 16 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1bqt h VAL 17 N -0.35 1.25 -0.09 -2.13 2.07 -1.64 -2.83 116.25 112.53 1bqt h VAL 17 Ca 0.00 -2.56 0.00 0.00 0.82 0.00 0.00 66.70 64.96 1bqt h VAL 17 Cb 0.35 2.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.59 1bqt h VAL 17 CO 0.00 0.67 0.00 0.00 0.02 0.00 0.00 177.57 178.26 1bqt n GLY 19 N 1.26 -0.51 1.60 0.00 0.00 -1.07 -2.21 105.19 104.26 1bqt n GLY 19 Ca 0.17 0.54 -0.05 0.00 0.00 0.00 0.00 46.02 46.68 1bqt n GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bqt n ASP 20 N -4.50 -1.16 -0.09 1.61 9.92 -1.26 -4.93 116.55 116.13 1bqt n ASP 20 Ca 0.25 -2.08 -0.12 0.00 -0.53 0.00 0.00 54.79 52.31 1bqt n ASP 20 Cb 0.84 0.44 -0.15 0.00 -0.64 0.00 0.00 41.12 41.60 1bqt n ASP 20 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1bqt n ARG 21 N -0.55 0.68 0.00 -1.24 3.00 -0.94 -5.02 116.66 112.58 1bqt n ARG 21 Ca -0.24 0.06 0.00 0.00 -0.00 0.00 0.00 57.85 57.67 1bqt n ARG 21 Cb 0.77 -1.55 0.00 0.00 0.00 0.00 0.00 32.46 31.67 1bqt n ARG 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1bqt n GLY 22 N 1.84 0.46 3.59 5.14 0.00 -1.25 -4.79 105.19 110.17 1bqt n GLY 22 Ca -0.34 -0.71 -0.30 0.00 0.00 0.00 0.00 46.02 44.68 1bqt n GLY 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1bqt s PHE 23 N 0.00 1.53 -0.30 1.61 -0.12 -1.26 -2.11 117.98 117.33 1bqt s PHE 23 Ca 0.00 1.47 -0.17 0.00 -0.05 0.00 0.00 56.93 58.19 1bqt s PHE 23 Cb 0.00 -3.21 0.17 0.00 -0.63 0.00 0.00 43.02 39.35 1bqt s PHE 23 CO 0.00 -3.30 1.19 1.52 -0.05 0.00 0.00 175.22 174.57 1bqt s TYR 24 N -2.57 -0.17 -0.25 3.49 1.13 -1.25 -4.63 117.35 113.09 1bqt s TYR 24 Ca 0.67 0.17 0.00 0.00 -1.41 0.00 0.00 57.07 56.50 1bqt s TYR 24 Cb -0.24 0.05 0.22 0.00 -1.10 0.00 0.00 41.96 40.90 1bqt s TYR 24 CO 0.61 -0.10 1.79 1.19 -2.51 0.00 0.00 175.55 176.53 1bqt n PHE 25 N 5.40 1.33 0.24 -3.49 3.01 -1.26 -4.19 117.46 118.51 1bqt n PHE 25 Ca -0.05 -1.57 0.14 0.00 1.01 0.00 0.00 57.45 56.98 1bqt n PHE 25 Cb 0.55 -0.77 0.43 0.00 -0.01 0.00 0.00 39.48 39.68 1bqt n PHE 25 CO 0.00 0.00 0.00 -2.95 1.01 0.00 0.00 176.76 174.82 1bqt h ASN 26 N 1.06 0.00 -3.21 4.37 -1.07 -1.96 -3.45 115.58 111.31 1bqt h ASN 26 Ca 0.26 0.00 -0.57 0.00 0.07 0.00 0.00 56.30 56.05 1bqt h ASN 26 Cb 1.23 0.00 0.12 0.00 -2.07 0.00 0.00 38.32 37.60 1bqt h ASN 26 CO 0.59 0.03 0.37 1.17 0.07 0.00 0.00 177.43 179.66 1bqt n LYS 27 N -3.12 1.77 -2.49 4.14 3.00 -1.26 -4.92 118.16 115.29 1bqt n LYS 27 Ca 0.02 0.63 -0.41 0.00 -0.00 0.00 0.00 58.31 58.55 1bqt n LYS 27 Cb 0.43 -2.21 -0.04 0.00 0.00 0.00 0.00 35.03 33.21 1bqt n LYS 27 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1bqt s PRO 28 N -1.98 4.59 -0.28 1.64 0.04 -1.26 -4.81 135.00 132.94 1bqt s PRO 28 Ca 0.59 1.75 -0.15 0.00 0.04 0.00 0.00 61.00 63.23 1bqt s PRO 28 Cb -0.56 -3.26 0.09 0.00 0.04 0.00 0.00 34.50 30.81 1bqt s PRO 28 CO 0.59 0.07 0.71 0.95 0.04 0.00 0.00 177.00 179.36 1bqt s THR 29 N -0.34 -0.11 0.00 1.26 -4.23 -1.26 -4.94 115.64 106.01 1bqt s THR 29 Ca 0.49 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.00 1bqt s THR 29 Cb -0.30 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.54 1bqt s THR 29 CO 0.36 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.05 1bqt n GLY 30 N 4.41 0.39 0.00 3.99 0.00 -1.26 -1.39 105.19 111.33 1bqt n GLY 30 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1bqt n GLY 30 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1bqt n TYR 31 N 0.00 0.00 -1.65 1.61 0.18 -1.26 -4.79 117.16 111.24 1bqt n TYR 31 Ca 0.00 0.00 -0.35 0.00 1.88 0.00 0.00 57.90 59.43 1bqt n TYR 31 Cb 0.00 0.00 0.03 0.00 -0.38 0.00 0.00 39.34 38.99 1bqt n TYR 31 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1bqt n GLY 32 N 0.00 5.27 1.91 -7.48 0.00 -1.26 -4.85 105.19 98.77 1bqt n GLY 32 Ca 0.00 -2.24 -0.00 0.00 0.00 0.00 0.00 46.02 43.77 1bqt n GLY 32 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bqt n SER 33 N -0.28 -3.42 -2.72 1.61 7.64 -1.26 -4.81 113.62 110.39 1bqt n SER 33 Ca 0.53 0.49 -0.03 0.00 1.01 0.00 0.00 58.87 60.87 1bqt n SER 33 Cb 0.40 -2.49 0.00 0.00 -1.01 0.00 0.00 64.21 61.12 1bqt n SER 33 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1bqt n SER 34 N 0.33 -7.74 0.00 6.43 2.88 -1.26 -5.06 113.62 109.20 1bqt n SER 34 Ca -0.04 0.98 0.00 0.00 -1.33 0.00 0.00 58.87 58.49 1bqt n SER 34 Cb 0.06 -5.18 0.00 0.00 -0.75 0.00 0.00 64.21 58.34 1bqt n SER 34 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1bqt n SER 35 N 0.22 0.00 -4.52 -3.46 3.41 -1.26 -5.13 113.62 102.88 1bqt n SER 35 Ca 0.05 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.31 1bqt n SER 35 Cb 0.20 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.04 1bqt n SER 35 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1bqt s ARG 36 N 0.00 3.77 0.30 4.33 1.81 -1.26 -4.38 118.95 123.52 1bqt s ARG 36 Ca 0.00 -0.44 -0.18 0.00 -1.72 0.00 0.00 55.73 53.39 1bqt s ARG 36 Cb 0.00 -3.23 0.03 0.00 -0.45 0.00 0.00 34.95 31.29 1bqt s ARG 36 CO 0.00 0.03 0.71 -0.98 -0.68 0.00 0.00 175.30 174.37 1bqt s ARG 37 N 1.03 1.88 0.35 3.54 3.03 -1.26 -5.12 118.95 122.40 1bqt s ARG 37 Ca 0.04 -1.15 -0.24 0.00 2.03 0.00 0.00 55.73 56.41 1bqt s ARG 37 Cb -0.14 0.60 -0.15 0.00 -1.03 0.00 0.00 34.95 34.23 1bqt s ARG 37 CO 0.03 -0.86 0.43 0.00 -1.13 0.00 0.00 175.30 173.77 1bqt n ALA 38 N -0.47 -2.22 -2.40 7.88 0.00 -1.26 -4.70 120.51 117.33 1bqt n ALA 38 Ca -0.05 0.23 -0.43 0.00 0.00 0.00 0.00 53.44 53.20 1bqt n ALA 38 Cb 0.60 -1.66 -0.02 0.00 0.00 0.00 0.00 19.45 18.37 1bqt n ALA 38 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1bqt s PRO 39 N -1.25 4.16 -1.08 0.00 0.04 -1.26 -1.31 135.00 134.30 1bqt s PRO 39 Ca 0.62 1.60 -0.14 0.00 0.04 0.00 0.00 61.00 63.11 1bqt s PRO 39 Cb -0.70 -3.80 -0.03 0.00 0.04 0.00 0.00 34.50 30.01 1bqt s PRO 39 CO 0.59 -0.80 0.83 1.04 0.04 0.00 0.00 177.00 178.70 1bqt n GLN 40 N 6.79 -1.57 0.00 4.56 6.02 -0.49 -4.60 117.38 128.10 1bqt n GLN 40 Ca 0.14 0.66 0.00 0.00 -0.01 0.00 0.00 57.00 57.79 1bqt n GLN 40 Cb 0.45 -4.73 0.00 0.00 1.02 0.00 0.00 30.24 26.98 1bqt n GLN 40 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1bqt n THR 41 N -3.70 0.00 -2.60 5.09 -1.04 -1.24 -4.96 114.28 105.82 1bqt n THR 41 Ca -0.08 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.89 1bqt n THR 41 Cb 0.60 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 69.10 1bqt n THR 41 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1bqt n GLY 42 N 0.00 -0.48 0.00 3.41 0.00 -0.43 -4.58 105.19 103.11 1bqt n GLY 42 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1bqt n GLY 42 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1bqt n ILE 43 N -2.56 0.22 0.13 -0.61 2.08 -1.26 -4.59 119.36 112.77 1bqt n ILE 43 Ca 0.01 -0.33 0.06 0.00 0.56 0.00 0.00 62.75 63.05 1bqt n ILE 43 Cb 0.49 1.17 -0.09 0.00 -0.75 0.00 0.00 39.64 40.46 1bqt n ILE 43 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 1bqt n VAL 44 N -0.11 0.00 0.05 1.39 0.31 -1.26 -4.31 118.33 114.39 1bqt n VAL 44 Ca 0.00 -0.27 0.04 0.00 -0.01 0.00 0.00 64.34 64.10 1bqt n VAL 44 Cb 0.27 0.40 0.22 0.00 -0.91 0.00 0.00 33.84 33.82 1bqt n VAL 44 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1bqt n ASP 45 N -1.78 3.45 -0.05 4.52 -0.08 -1.26 -3.57 116.55 117.78 1bqt n ASP 45 Ca -0.01 -2.44 -0.06 0.00 -1.51 0.00 0.00 54.79 50.76 1bqt n ASP 45 Cb 0.29 -0.56 -0.02 0.00 2.34 0.00 0.00 41.12 43.18 1bqt n ASP 45 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1bqt n GLU 46 N 0.41 0.38 -0.93 -0.67 0.00 -1.26 -4.57 120.64 114.00 1bqt n GLU 46 Ca 0.15 0.15 -0.19 0.00 0.00 0.00 0.00 57.16 57.27 1bqt n GLU 46 Cb 0.72 -1.16 0.09 0.00 0.00 0.00 0.00 31.44 31.09 1bqt n GLU 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1bqt n PHE 49 N -3.58 0.00 -2.02 0.00 -1.74 -1.26 -2.36 117.46 106.50 1bqt n PHE 49 Ca -0.24 0.00 -0.03 0.00 -0.56 0.00 0.00 57.45 56.62 1bqt n PHE 49 Cb 1.08 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 42.04 1bqt n PHE 49 CO 0.00 0.00 0.00 -2.13 -0.56 0.00 0.00 176.76 174.07 1bqt n ARG 50 N -1.33 0.00 -0.94 3.97 0.63 -1.26 -0.66 116.66 117.07 1bqt n ARG 50 Ca 0.00 -0.61 -0.09 0.00 -0.92 0.00 0.00 57.85 56.23 1bqt n ARG 50 Cb 0.00 0.23 0.24 0.00 0.45 0.00 0.00 32.46 33.38 1bqt n ARG 50 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1bqt n SER 51 N 0.02 4.29 -4.62 6.15 7.64 -0.97 -4.76 113.62 121.37 1bqt n SER 51 Ca -0.14 -3.14 -0.51 0.00 1.01 0.00 0.00 58.87 56.10 1bqt n SER 51 Cb 0.63 -0.74 -0.05 0.00 -1.01 0.00 0.00 64.21 63.04 1bqt n SER 51 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bqt s ASP 53 N 0.80 -0.07 0.00 0.00 2.15 -1.26 -4.87 116.67 113.43 1bqt s ASP 53 Ca 0.84 -0.32 0.00 0.00 0.43 0.00 0.00 52.55 53.49 1bqt s ASP 53 Cb -0.88 0.31 0.00 0.00 -0.30 0.00 0.00 42.92 42.05 1bqt s ASP 53 CO 0.45 -0.59 0.00 0.18 -0.17 0.00 0.00 175.17 175.04 1bqt n LEU 54 N -0.59 0.00 -2.89 -1.34 4.32 -1.26 -4.79 117.00 110.46 1bqt n LEU 54 Ca -0.05 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 55.83 1bqt n LEU 54 Cb 0.61 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.38 1bqt n LEU 54 CO 0.15 0.00 -0.12 -2.11 -1.22 0.00 0.00 177.39 174.09 1bqt n ARG 55 N 0.00 -0.96 0.00 3.23 -4.01 -1.26 -3.42 116.66 110.24 1bqt n ARG 55 Ca 0.00 0.03 0.00 0.00 -1.04 0.00 0.00 57.85 56.84 1bqt n ARG 55 Cb 0.00 -1.22 0.00 0.00 -3.04 0.00 0.00 32.46 28.20 1bqt n ARG 55 CO 0.00 0.00 0.00 -2.13 -3.04 0.00 0.00 177.63 172.46 1bqt n ARG 56 N -1.97 0.00 0.00 2.89 0.00 -1.26 -4.91 116.66 111.41 1bqt n ARG 56 Ca -0.06 0.00 0.11 0.00 -0.00 0.00 0.00 57.85 57.90 1bqt n ARG 56 Cb 0.20 0.00 0.62 0.00 0.00 0.00 0.00 32.46 33.28 1bqt n ARG 56 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 1bqt n LEU 57 N 0.00 0.00 -0.97 6.15 -0.00 -1.22 -1.97 117.00 118.99 1bqt n LEU 57 Ca 0.00 0.15 0.10 0.00 -0.00 0.00 0.00 56.01 56.26 1bqt n LEU 57 Cb 0.00 -0.15 0.27 0.00 -0.00 0.00 0.00 43.42 43.54 1bqt n LEU 57 CO 0.00 -0.04 0.72 -0.62 -0.00 0.00 0.00 177.39 177.45 1bqt n GLU 58 N -1.15 2.24 -0.26 1.47 -0.58 -1.26 -3.88 120.64 117.22 1bqt n GLU 58 Ca 0.14 -1.90 0.08 0.00 -0.42 0.00 0.00 57.16 55.06 1bqt n GLU 58 Cb 0.13 -1.46 0.17 0.00 -0.57 0.00 0.00 31.44 29.72 1bqt n GLU 58 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 1bqt n MET 59 N 1.08 1.64 -0.70 3.49 2.81 -0.83 -4.54 117.12 120.06 1bqt n MET 59 Ca 0.18 -2.78 0.01 0.00 -1.81 0.00 0.00 57.70 53.30 1bqt n MET 59 Cb 0.49 -1.60 0.01 0.00 -0.71 0.00 0.00 33.22 31.41 1bqt n MET 59 CO 0.00 0.00 0.00 2.48 1.51 0.00 0.00 175.97 179.96 1bqt n TYR 60 N -1.22 0.00 -3.15 2.03 4.11 -1.25 -4.90 117.16 112.78 1bqt n TYR 60 Ca 0.18 -0.14 0.06 0.00 -0.00 0.00 0.00 57.90 58.00 1bqt n TYR 60 Cb 0.71 -0.07 -0.00 0.00 -0.00 0.00 0.00 39.34 39.97 1bqt n TYR 60 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1bqt n ALA 62 N 5.20 0.00 1.40 0.00 0.00 -0.90 -3.89 120.51 122.32 1bqt n ALA 62 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1bqt n ALA 62 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1bqt n ALA 62 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1bqt n PRO 63 N 0.00 0.75 -1.06 0.00 -0.04 -1.26 -4.16 135.00 129.24 1bqt n PRO 63 Ca 0.00 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.13 1bqt n PRO 63 Cb 0.00 -1.05 0.01 0.00 -0.04 0.00 0.00 33.50 32.42 1bqt n PRO 63 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1bqt n LEU 64 N -0.42 -3.00 -2.78 1.53 0.00 -1.24 -4.96 117.00 106.13 1bqt n LEU 64 Ca 0.00 0.57 0.02 0.00 0.00 0.00 0.00 56.01 56.60 1bqt n LEU 64 Cb 0.03 -0.72 0.01 0.00 0.00 0.00 0.00 43.42 42.73 1bqt n LEU 64 CO 0.00 -3.97 0.48 -0.75 0.00 0.00 0.00 177.39 173.15 1bqt s LYS 65 N -0.84 0.16 0.88 1.96 2.20 -1.26 -5.09 119.74 117.75 1bqt s LYS 65 Ca 0.48 -0.04 -0.12 0.00 -0.36 0.00 0.00 55.97 55.93 1bqt s LYS 65 Cb -0.43 0.02 0.12 0.00 -1.51 0.00 0.00 37.83 36.03 1bqt s LYS 65 CO 0.55 -0.23 1.13 -1.25 -0.36 0.00 0.00 175.35 175.19 1bqt s PRO 66 N 2.02 1.37 -0.35 4.03 0.04 -1.26 -4.62 135.00 136.23 1bqt s PRO 66 Ca 0.15 0.37 -0.10 0.00 0.04 0.00 0.00 61.00 61.46 1bqt s PRO 66 Cb 0.03 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.72 1bqt s PRO 66 CO -0.15 -2.06 0.39 0.00 0.04 0.00 0.00 177.00 175.21 1bqt n ALA 67 N -3.68 -3.13 -2.77 8.56 0.00 -1.26 -5.00 120.51 113.23 1bqt n ALA 67 Ca 0.07 0.88 -0.37 0.00 0.00 0.00 0.00 53.44 54.01 1bqt n ALA 67 Cb 0.59 -2.68 -0.06 0.00 0.00 0.00 0.00 19.45 17.29 1bqt n ALA 67 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1bqt s LYS 68 N -2.14 3.66 -0.82 0.00 1.02 -1.26 -5.03 119.74 115.17 1bqt s LYS 68 Ca 0.16 0.01 -0.24 0.00 0.02 0.00 0.00 55.97 55.92 1bqt s LYS 68 Cb -0.04 -3.23 0.06 0.00 -0.52 0.00 0.00 37.83 34.10 1bqt s LYS 68 CO 0.67 0.69 1.22 -1.54 -0.92 0.00 0.00 175.35 175.47 1bqt s SER 69 N -0.85 6.31 0.00 2.83 1.04 -1.26 -5.30 113.70 116.47 1bqt s SER 69 Ca 0.17 -1.07 0.00 0.00 0.48 0.00 0.00 55.95 55.53 1bqt s SER 69 Cb -0.13 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.49 1bqt s SER 69 CO 0.06 -1.54 0.00 0.00 0.98 0.00 0.00 173.24 172.73