#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cuq s SER 2 N 0.00 3.09 0.07 1.61 1.04 -1.26 -5.13 113.70 113.13 2cuq s SER 2 Ca 0.00 -0.92 0.03 0.00 0.48 0.00 0.00 55.95 55.55 2cuq s SER 2 Cb 0.00 -0.68 -0.03 0.00 0.10 0.00 0.00 66.02 65.41 2cuq s SER 2 CO 0.00 -0.31 -0.10 -0.44 0.98 0.00 0.00 173.24 173.37 2cuq s SER 3 N 1.79 1.29 0.00 7.02 0.01 -1.26 -5.13 113.70 117.42 2cuq s SER 3 Ca -0.01 -0.67 0.00 0.00 1.31 0.00 0.00 55.95 56.58 2cuq s SER 3 Cb -0.17 0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.06 2cuq s SER 3 CO -0.09 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 173.97 2cuq n GLY 4 N 1.07 2.81 3.42 3.44 0.00 -1.26 -5.17 105.19 109.49 2cuq n GLY 4 Ca -0.20 0.17 0.01 0.00 0.00 0.00 0.00 46.02 46.01 2cuq n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cuq s SER 5 N 0.00 -0.59 -0.04 1.61 1.04 -1.26 -5.16 113.70 109.30 2cuq s SER 5 Ca 0.00 0.81 0.01 0.00 0.48 0.00 0.00 55.95 57.25 2cuq s SER 5 Cb 0.00 1.66 0.03 0.00 0.10 0.00 0.00 66.02 67.80 2cuq s SER 5 CO 0.00 -0.11 -0.01 -0.44 0.98 0.00 0.00 173.24 173.65 2cuq s SER 6 N 2.42 0.63 -0.89 7.02 0.01 -1.26 -5.07 113.70 116.57 2cuq s SER 6 Ca -0.03 -0.06 -0.29 0.00 1.31 0.00 0.00 55.95 56.88 2cuq s SER 6 Cb -0.06 -0.30 -0.20 0.00 0.21 0.00 0.00 66.02 65.67 2cuq s SER 6 CO -0.17 -0.09 2.43 0.61 0.41 0.00 0.00 173.24 176.43 2cuq n GLY 7 N 4.15 -0.43 0.00 3.44 0.00 -1.26 -4.69 105.19 106.40 2cuq n GLY 7 Ca -0.25 1.05 0.04 0.00 0.00 0.00 0.00 46.02 46.86 2cuq n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cuq n PRO 8 N 7.70 0.49 -4.26 1.61 -0.04 -1.26 -4.64 135.00 134.59 2cuq n PRO 8 Ca 0.60 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.88 2cuq n PRO 8 Cb 0.02 -1.24 -0.15 0.00 -0.04 0.00 0.00 33.50 32.09 2cuq n PRO 8 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2cuq s TYR 10 N -0.15 -0.28 -0.33 0.00 2.02 -1.26 -5.12 117.35 112.23 2cuq s TYR 10 Ca 0.02 0.73 -0.03 0.00 -0.37 0.00 0.00 57.07 57.42 2cuq s TYR 10 Cb -0.03 -0.10 0.06 0.00 -0.40 0.00 0.00 41.96 41.50 2cuq s TYR 10 CO -0.00 -0.27 0.06 -1.21 -1.57 0.00 0.00 175.55 172.56 2cuq s GLU 11 N 1.88 2.35 0.19 -0.62 2.02 -1.26 -5.08 118.70 118.18 2cuq s GLU 11 Ca -0.03 -1.38 -0.06 0.00 0.02 0.00 0.00 54.97 53.52 2cuq s GLU 11 Cb -0.12 -3.31 -0.02 0.00 0.10 0.00 0.00 34.13 30.78 2cuq s GLU 11 CO -0.07 -0.73 0.25 1.21 0.02 0.00 0.00 175.26 175.94 2cuq s ASN 12 N 1.39 0.08 0.71 -0.19 2.47 -1.26 -5.16 114.94 112.99 2cuq s ASN 12 Ca -0.02 -1.08 -0.12 0.00 0.42 0.00 0.00 52.86 52.06 2cuq s ASN 12 Cb -0.20 0.43 0.02 0.00 -1.45 0.00 0.00 41.25 40.05 2cuq s ASN 12 CO -0.01 -0.91 1.09 -0.75 -3.72 0.00 0.00 177.10 172.80 2cuq s LYS 13 N -4.04 2.60 0.57 0.43 2.20 -1.26 -4.85 119.74 115.39 2cuq s LYS 13 Ca 0.25 1.21 0.18 0.00 -0.36 0.00 0.00 55.97 57.26 2cuq s LYS 13 Cb 0.04 -1.94 0.99 0.00 -1.51 0.00 0.00 37.83 35.42 2cuq s LYS 13 CO 0.06 -1.38 1.52 0.27 -0.36 0.00 0.00 175.35 175.45 2cuq h PHE 14 N -0.58 0.00 -3.59 4.03 -5.15 -2.03 -3.39 116.94 106.23 2cuq h PHE 14 Ca -0.45 0.00 -0.67 0.00 -0.20 0.00 0.00 57.97 56.65 2cuq h PHE 14 Cb 1.23 0.00 -0.17 0.00 0.22 0.00 0.00 35.95 37.23 2cuq h PHE 14 CO 0.57 0.00 -0.70 0.00 -2.00 0.00 0.00 178.31 176.18 2cuq s ALA 15 N -3.84 3.03 1.19 12.09 0.00 -1.26 -5.13 121.76 127.84 2cuq s ALA 15 Ca -0.02 -1.03 -0.19 0.00 0.00 0.00 0.00 51.96 50.72 2cuq s ALA 15 Cb 0.05 -1.13 0.28 0.00 0.00 0.00 0.00 23.12 22.33 2cuq s ALA 15 CO 0.17 0.62 1.11 -1.25 0.00 0.00 0.00 175.76 176.40 2cuq s PRO 16 N -1.49 -1.13 -0.10 0.00 0.04 -1.26 -4.85 135.00 126.20 2cuq s PRO 16 Ca 0.18 -0.04 -0.10 0.00 0.04 0.00 0.00 61.00 61.08 2cuq s PRO 16 Cb -0.11 -1.60 0.03 0.00 0.04 0.00 0.00 34.50 32.85 2cuq s PRO 16 CO 0.08 -3.66 0.29 1.03 0.04 0.00 0.00 177.00 174.78 2cuq s ARG 17 N -5.38 0.36 -0.17 4.56 0.52 -1.26 -1.99 118.95 115.58 2cuq s ARG 17 Ca 0.71 0.36 -0.41 0.00 -0.52 0.00 0.00 55.73 55.87 2cuq s ARG 17 Cb -0.10 0.17 -0.18 0.00 0.52 0.00 0.00 34.95 35.36 2cuq s ARG 17 CO 0.56 -0.05 1.42 0.00 0.02 0.00 0.00 175.30 177.25 2cuq n ALA 19 N 3.25 1.24 -0.08 0.00 0.00 0.25 0.26 120.51 125.42 2cuq n ALA 19 Ca 0.24 0.17 -0.09 0.00 0.00 0.00 0.00 53.44 53.76 2cuq n ALA 19 Cb 0.08 -1.34 -0.04 0.00 0.00 0.00 0.00 19.45 18.15 2cuq n ALA 19 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2cuq n ARG 20 N -2.26 0.49 -0.02 0.00 3.00 -1.26 -4.70 116.66 111.90 2cuq n ARG 20 Ca -0.00 0.47 -0.20 0.00 -0.00 0.00 0.00 57.85 58.12 2cuq n ARG 20 Cb 0.10 -1.65 -0.14 0.00 0.00 0.00 0.00 32.46 30.77 2cuq n ARG 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2cuq n SER 22 N -3.40 -2.13 0.00 0.00 2.88 0.72 -4.93 113.62 106.77 2cuq n SER 22 Ca -0.34 -0.29 0.00 0.00 -1.33 0.00 0.00 58.87 56.91 2cuq n SER 22 Cb 1.04 -2.68 0.00 0.00 -0.75 0.00 0.00 64.21 61.82 2cuq n SER 22 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2cuq n LYS 23 N -2.46 0.00 -3.57 -1.46 4.76 -1.26 -4.77 118.16 109.40 2cuq n LYS 23 Ca -0.13 0.02 -0.08 0.00 -2.87 0.00 0.00 58.31 55.25 2cuq n LYS 23 Cb 0.58 -0.38 -0.03 0.00 -1.84 0.00 0.00 35.03 33.36 2cuq n LYS 23 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2cuq s THR 24 N -0.69 0.00 -0.21 -0.18 -4.23 -1.26 -4.83 115.64 104.24 2cuq s THR 24 Ca 0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.47 2cuq s THR 24 Cb 0.00 -1.00 0.10 0.00 1.34 0.00 0.00 72.50 72.94 2cuq s THR 24 CO 0.00 0.00 0.26 -0.76 -0.54 0.00 0.00 174.62 173.58 2cuq s LEU 25 N -1.71 -0.24 0.17 4.79 1.43 -0.84 -4.46 118.68 117.81 2cuq s LEU 25 Ca 0.04 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 2cuq s LEU 25 Cb -0.01 0.57 0.00 0.00 0.03 0.00 0.00 46.19 46.78 2cuq s LEU 25 CO -0.04 -0.32 0.00 0.35 0.23 0.00 0.00 176.35 176.57 2cuq n THR 26 N 5.33 0.42 -1.66 5.49 -2.24 -1.26 -4.24 114.28 116.12 2cuq n THR 26 Ca -0.05 0.14 -0.35 0.00 -2.27 0.00 0.00 64.05 61.52 2cuq n THR 26 Cb 0.50 -0.86 -0.03 0.00 -2.10 0.00 0.00 70.33 67.84 2cuq n THR 26 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2cuq s GLN 27 N -1.79 2.16 2.36 -0.78 -0.21 -1.26 -4.60 119.66 115.54 2cuq s GLN 27 Ca 0.00 1.16 0.00 0.00 0.02 0.00 0.00 55.36 56.54 2cuq s GLN 27 Cb 0.00 -4.57 0.00 0.00 1.00 0.00 0.00 33.01 29.44 2cuq s GLN 27 CO 0.00 -3.28 0.00 0.41 -2.12 0.00 0.00 175.29 170.30 2cuq n GLY 28 N 6.02 0.25 4.49 3.09 0.00 -1.26 -4.92 105.19 112.88 2cuq n GLY 28 Ca 0.35 0.64 0.02 0.00 0.00 0.00 0.00 46.02 47.03 2cuq n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cuq n GLY 29 N 0.00 -1.90 3.51 -0.02 0.00 -1.26 -5.03 105.19 100.49 2cuq n GLY 29 Ca 0.00 -1.34 -0.10 0.00 0.00 0.00 0.00 46.02 44.57 2cuq n GLY 29 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2cuq s VAL 30 N -0.53 0.00 -0.04 1.61 -7.23 -1.16 -4.88 120.40 108.18 2cuq s VAL 30 Ca 0.00 -1.53 -0.02 0.00 -1.81 0.00 0.00 61.98 58.62 2cuq s VAL 30 Cb 0.00 -2.34 0.03 0.00 0.56 0.00 0.00 36.38 34.63 2cuq s VAL 30 CO 0.00 0.00 0.05 0.28 -0.31 0.00 0.00 175.10 175.12 2cuq s THR 31 N -3.85 -0.08 0.00 5.32 -1.32 -1.26 -0.72 115.64 113.73 2cuq s THR 31 Ca 0.26 0.40 0.02 0.00 -1.21 0.00 0.00 61.69 61.17 2cuq s THR 31 Cb 0.01 -0.17 -0.03 0.00 -1.51 0.00 0.00 72.50 70.79 2cuq s THR 31 CO 0.11 0.18 -0.04 -0.47 -2.21 0.00 0.00 174.62 172.20 2cuq s TYR 32 N 2.10 2.97 -1.64 9.09 5.04 0.59 -4.58 117.35 130.91 2cuq s TYR 32 Ca 0.04 0.01 -0.14 0.00 -2.44 0.00 0.00 57.07 54.55 2cuq s TYR 32 Cb -0.12 -1.64 0.12 0.00 0.35 0.00 0.00 41.96 40.67 2cuq s TYR 32 CO -0.03 0.41 0.66 2.89 -1.34 0.00 0.00 175.55 178.14 2cuq n ARG 33 N 1.50 -3.00 -2.12 4.97 1.85 -1.26 0.14 116.66 118.74 2cuq n ARG 33 Ca -0.15 0.36 -0.17 0.00 -1.00 0.00 0.00 57.85 56.88 2cuq n ARG 33 Cb 0.53 -4.88 -0.02 0.00 -1.05 0.00 0.00 32.46 27.03 2cuq n ARG 33 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2cuq n ASP 34 N -2.73 -5.07 -4.03 2.89 8.00 -1.26 -4.99 116.55 109.36 2cuq n ASP 34 Ca -0.03 0.10 -0.13 0.00 0.71 0.00 0.00 54.79 55.44 2cuq n ASP 34 Cb 0.54 -4.14 -0.12 0.00 -0.02 0.00 0.00 41.12 37.38 2cuq n ASP 34 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2cuq s GLN 35 N -4.50 0.48 0.04 -1.24 -1.52 0.36 -5.13 119.66 108.14 2cuq s GLN 35 Ca 0.00 -0.59 -0.30 0.00 -1.95 0.00 0.00 55.36 52.51 2cuq s GLN 35 Cb 0.00 -0.29 -0.06 0.00 -0.22 0.00 0.00 33.01 32.44 2cuq s GLN 35 CO 0.00 0.06 1.42 -1.25 -0.25 0.00 0.00 175.29 175.27 2cuq s PRO 36 N -1.19 4.29 0.11 2.91 0.04 -1.26 0.22 135.00 140.12 2cuq s PRO 36 Ca -0.07 2.03 0.04 0.00 0.04 0.00 0.00 61.00 63.04 2cuq s PRO 36 Cb -0.08 -3.49 -0.04 0.00 0.04 0.00 0.00 34.50 30.93 2cuq s PRO 36 CO 0.00 -0.55 -0.11 -1.58 0.04 0.00 0.00 177.00 174.80 2cuq s TRP 37 N 2.08 1.20 -0.27 0.56 0.52 0.10 0.85 118.94 123.98 2cuq s TRP 37 Ca 0.65 -0.65 -0.27 0.00 0.02 0.00 0.00 56.10 55.85 2cuq s TRP 37 Cb -0.34 -0.64 0.01 0.00 -1.15 0.00 0.00 33.47 31.36 2cuq s TRP 37 CO 0.28 0.06 0.98 -1.01 0.02 0.00 0.00 176.95 177.28 2cuq s HIS 38 N -2.54 3.26 0.29 -1.98 3.76 -1.26 -2.98 115.29 113.85 2cuq s HIS 38 Ca 0.09 1.23 0.16 0.00 -0.15 0.00 0.00 55.06 56.39 2cuq s HIS 38 Cb -0.02 -3.35 1.07 0.00 1.11 0.00 0.00 32.58 31.39 2cuq s HIS 38 CO 0.01 -0.56 1.26 0.54 -0.85 0.00 0.00 174.74 175.14 2cuq n ARG 39 N 6.41 -0.05 -0.04 1.40 5.12 -1.26 0.11 116.66 128.35 2cuq n ARG 39 Ca 0.10 1.10 -0.14 0.00 -1.93 0.00 0.00 57.85 56.98 2cuq n ARG 39 Cb 0.47 -1.98 -0.11 0.00 -1.16 0.00 0.00 32.46 29.68 2cuq n ARG 39 CO 0.00 0.00 0.00 1.05 -1.93 0.00 0.00 177.63 176.75 2cuq h GLU 40 N 0.00 0.05 0.26 5.56 4.11 -2.01 -3.34 114.58 119.20 2cuq h GLU 40 Ca 0.67 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 60.05 2cuq h GLU 40 Cb 1.78 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 31.03 2cuq h GLU 40 CO -0.62 0.80 -0.24 0.00 0.07 0.00 0.00 179.01 179.03 2cuq n LEU 42 N -5.36 1.11 -3.68 0.00 7.94 0.11 -4.86 117.00 112.25 2cuq n LEU 42 Ca -0.09 0.13 -0.12 0.00 -1.11 0.00 0.00 56.01 54.82 2cuq n LEU 42 Cb 0.27 -1.12 -0.06 0.00 0.53 0.00 0.00 43.42 43.03 2cuq n LEU 42 CO 0.30 -0.92 0.13 0.68 -1.11 0.00 0.00 177.39 176.47 2cuq s VAL 43 N 9.05 0.06 0.69 1.96 -7.23 -1.26 -3.43 120.40 120.24 2cuq s VAL 43 Ca 1.21 -0.50 -0.17 0.00 -1.81 0.00 0.00 61.98 60.72 2cuq s VAL 43 Cb -0.98 -0.95 -0.04 0.00 0.56 0.00 0.00 36.38 34.97 2cuq s VAL 43 CO 0.46 -0.28 0.67 0.00 -0.31 0.00 0.00 175.10 175.65 2cuq n THR 45 N -2.25 2.11 0.08 0.00 -1.04 -0.65 -3.07 114.28 109.46 2cuq n THR 45 Ca 0.11 -1.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.05 2cuq n THR 45 Cb 0.49 -0.33 0.00 0.00 -1.82 0.00 0.00 70.33 68.67 2cuq n THR 45 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2cuq n GLY 46 N 0.49 -0.16 0.00 3.41 0.00 -1.26 -4.88 105.19 102.78 2cuq n GLY 46 Ca 0.21 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.33 2cuq n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cuq n GLN 48 N -1.50 -5.11 -4.19 0.00 1.13 -1.17 -4.98 117.38 101.55 2cuq n GLN 48 Ca 0.04 0.68 -0.35 0.00 -1.94 0.00 0.00 57.00 55.43 2cuq n GLN 48 Cb 0.33 -5.19 -0.08 0.00 0.11 0.00 0.00 30.24 25.41 2cuq n GLN 48 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 2cuq s THR 49 N -3.29 4.71 -0.51 5.09 -1.32 -1.26 -4.72 115.64 114.34 2cuq s THR 49 Ca 0.02 -0.15 -0.27 0.00 -1.21 0.00 0.00 61.69 60.08 2cuq s THR 49 Cb -0.00 -3.03 -0.02 0.00 -1.51 0.00 0.00 72.50 67.94 2cuq s THR 49 CO 0.59 0.57 1.80 -2.16 -2.21 0.00 0.00 174.62 173.21 2cuq s PRO 50 N -1.06 2.91 -0.02 7.08 0.04 -1.26 -0.71 135.00 141.98 2cuq s PRO 50 Ca 0.15 0.87 0.03 0.00 0.04 0.00 0.00 61.00 62.10 2cuq s PRO 50 Cb -0.12 -4.30 0.12 0.00 0.04 0.00 0.00 34.50 30.24 2cuq s PRO 50 CO 0.05 -2.38 0.94 1.28 0.04 0.00 0.00 177.00 176.93 2cuq n LEU 51 N 11.71 1.09 -4.52 -3.56 4.77 -1.22 -4.84 117.00 120.42 2cuq n LEU 51 Ca 0.21 -0.55 -0.35 0.00 -0.03 0.00 0.00 56.01 55.29 2cuq n LEU 51 Cb 0.50 -0.26 -0.11 0.00 -2.33 0.00 0.00 43.42 41.23 2cuq n LEU 51 CO 0.70 0.22 2.07 0.00 -1.33 0.00 0.00 177.39 179.05 2cuq n ALA 52 N -0.05 0.55 -2.70 -1.18 0.00 -1.26 0.20 120.51 116.08 2cuq n ALA 52 Ca 0.04 -0.65 -0.13 0.00 0.00 0.00 0.00 53.44 52.70 2cuq n ALA 52 Cb 0.22 -2.70 0.02 0.00 0.00 0.00 0.00 19.45 16.99 2cuq n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cuq n GLY 53 N 6.25 0.01 3.49 0.00 0.00 -1.26 -5.03 105.19 108.65 2cuq n GLY 53 Ca 0.54 -0.27 -0.26 0.00 0.00 0.00 0.00 46.02 46.04 2cuq n GLY 53 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2cuq s GLN 54 N -5.20 1.76 -0.42 1.61 0.74 0.13 -5.09 119.66 113.20 2cuq s GLN 54 Ca 0.17 -1.54 -0.29 0.00 0.05 0.00 0.00 55.36 53.76 2cuq s GLN 54 Cb -0.08 -1.92 0.01 0.00 1.10 0.00 0.00 33.01 32.13 2cuq s GLN 54 CO 0.22 0.38 1.36 1.14 -0.55 0.00 0.00 175.29 177.83 2cuq s GLN 55 N -3.07 3.61 0.35 1.67 -2.07 -1.26 -4.96 119.66 113.92 2cuq s GLN 55 Ca 0.26 0.87 -0.03 0.00 -1.82 0.00 0.00 55.36 54.64 2cuq s GLN 55 Cb -0.07 -4.00 0.00 0.00 -1.09 0.00 0.00 33.01 27.86 2cuq s GLN 55 CO 0.14 -1.52 0.49 -0.59 -1.32 0.00 0.00 175.29 172.48 2cuq s PHE 56 N 5.22 1.05 0.07 9.60 -0.12 -1.26 -4.15 117.98 128.38 2cuq s PHE 56 Ca 0.59 -1.29 0.02 0.00 -0.05 0.00 0.00 56.93 56.20 2cuq s PHE 56 Cb -0.12 -0.06 -0.03 0.00 -0.63 0.00 0.00 43.02 42.17 2cuq s PHE 56 CO 0.32 -1.15 -0.08 -0.08 -0.05 0.00 0.00 175.22 174.18 2cuq s THR 57 N -3.02 0.64 -0.10 -4.49 -1.32 -0.73 -4.95 115.64 101.67 2cuq s THR 57 Ca 0.30 -1.45 -0.06 0.00 -1.21 0.00 0.00 61.69 59.28 2cuq s THR 57 Cb -0.01 -1.08 -0.04 0.00 -1.51 0.00 0.00 72.50 69.87 2cuq s THR 57 CO 0.20 -0.57 0.14 -0.94 -2.21 0.00 0.00 174.62 171.24 2cuq s SER 58 N -2.19 6.34 -0.02 8.08 1.04 -1.26 -0.95 113.70 124.73 2cuq s SER 58 Ca -0.01 0.43 -0.00 0.00 0.48 0.00 0.00 55.95 56.85 2cuq s SER 58 Cb -0.04 -2.03 0.03 0.00 0.10 0.00 0.00 66.02 64.08 2cuq s SER 58 CO -0.02 0.38 0.04 -0.60 0.98 0.00 0.00 173.24 174.03 2cuq s ARG 59 N -1.19 -0.02 -1.70 4.02 6.06 0.15 -4.86 118.95 121.42 2cuq s ARG 59 Ca 0.17 0.19 -0.17 0.00 -2.50 0.00 0.00 55.73 53.43 2cuq s ARG 59 Cb -0.12 -0.21 0.15 0.00 0.06 0.00 0.00 34.95 34.83 2cuq s ARG 59 CO 0.07 -0.15 0.72 -0.25 -2.50 0.00 0.00 175.30 173.18 2cuq n ASP 60 N 4.06 -2.80 -2.93 -2.12 9.92 -1.26 -0.25 116.55 121.17 2cuq n ASP 60 Ca -0.26 -1.04 -0.15 0.00 -0.53 0.00 0.00 54.79 52.81 2cuq n ASP 60 Cb 0.51 -2.63 0.07 0.00 -0.64 0.00 0.00 41.12 38.43 2cuq n ASP 60 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2cuq n GLU 61 N -4.36 -5.58 -3.67 -1.24 1.02 -1.26 -5.03 120.64 100.53 2cuq n GLU 61 Ca 0.04 0.67 -0.08 0.00 -0.02 0.00 0.00 57.16 57.76 2cuq n GLU 61 Cb 0.51 -5.17 -0.09 0.00 -0.02 0.00 0.00 31.44 26.67 2cuq n GLU 61 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2cuq s ASP 62 N -3.82 -0.52 -0.27 1.62 1.01 0.65 -5.13 116.67 110.21 2cuq s ASP 62 Ca 0.14 1.07 -0.29 0.00 0.71 0.00 0.00 52.55 54.19 2cuq s ASP 62 Cb -0.06 1.22 -0.02 0.00 1.01 0.00 0.00 42.92 45.07 2cuq s ASP 62 CO 0.58 -0.22 1.64 -2.16 0.21 0.00 0.00 175.17 175.22 2cuq s PRO 63 N 2.07 3.65 -0.09 8.23 0.04 -1.26 -0.67 135.00 146.96 2cuq s PRO 63 Ca -0.06 1.52 0.04 0.00 0.04 0.00 0.00 61.00 62.55 2cuq s PRO 63 Cb -0.10 -4.08 -0.00 0.00 0.04 0.00 0.00 34.50 30.36 2cuq s PRO 63 CO -0.14 -1.48 -0.24 0.71 0.04 0.00 0.00 177.00 175.90 2cuq s TYR 64 N 5.68 2.46 0.48 0.56 2.02 -0.13 -1.64 117.35 126.79 2cuq s TYR 64 Ca 0.73 -0.94 -0.21 0.00 -0.37 0.00 0.00 57.07 56.28 2cuq s TYR 64 Cb -0.23 -1.64 -0.08 0.00 -0.40 0.00 0.00 41.96 39.61 2cuq s TYR 64 CO 0.31 -0.36 1.05 0.00 -1.57 0.00 0.00 175.55 174.98 2cuq h VAL 66 N 1.59 0.31 -0.75 0.00 2.07 -1.93 0.83 116.25 118.36 2cuq h VAL 66 Ca -0.49 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 66.93 2cuq h VAL 66 Cb 1.22 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 2cuq h VAL 66 CO 0.59 0.03 0.35 0.00 0.02 0.00 0.00 177.57 178.56 2cuq h ALA 67 N 1.55 1.20 0.00 1.67 0.00 -1.92 -2.10 119.26 119.65 2cuq h ALA 67 Ca 0.71 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 55.34 2cuq h ALA 67 Cb 2.20 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 19.67 2cuq h ALA 67 CO -0.29 0.60 -0.66 0.00 0.00 0.00 0.00 179.25 178.90 2cuq h PHE 69 N -0.99 -0.16 -0.40 0.00 3.04 -0.53 0.79 116.94 118.68 2cuq h PHE 69 Ca -0.18 0.06 -0.17 0.00 3.98 0.00 0.00 57.97 61.66 2cuq h PHE 69 Cb 1.17 0.19 -0.10 0.00 2.56 0.00 0.00 35.95 39.77 2cuq h PHE 69 CO 0.18 -0.27 0.22 0.41 -2.02 0.00 0.00 178.31 176.83 2cuq n GLY 70 N -1.44 2.87 0.00 2.40 0.00 -0.79 -3.05 105.19 105.17 2cuq n GLY 70 Ca 0.13 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.67 2cuq n GLY 70 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2cuq n GLU 71 N -0.10 0.42 -0.08 1.61 -0.58 0.23 -4.68 120.64 117.46 2cuq n GLU 71 Ca 0.23 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.91 2cuq n GLU 71 Cb 0.94 -0.63 -0.02 0.00 -0.57 0.00 0.00 31.44 31.16 2cuq n GLU 71 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2cuq n LEU 72 N -1.40 1.84 -0.09 -4.62 4.32 0.11 -3.66 117.00 113.49 2cuq n LEU 72 Ca 0.00 0.56 -0.13 0.00 -0.02 0.00 0.00 56.01 56.43 2cuq n LEU 72 Cb 0.13 -0.84 -0.04 0.00 -1.62 0.00 0.00 43.42 41.04 2cuq n LEU 72 CO 0.00 -0.41 0.62 -0.26 -1.22 0.00 0.00 177.39 176.12 2cuq h PHE 73 N -1.00 0.73 -0.06 -1.77 0.04 -1.72 -3.24 116.94 109.92 2cuq h PHE 73 Ca -0.01 -0.20 0.02 0.00 2.80 0.00 0.00 57.97 60.58 2cuq h PHE 73 Cb 0.64 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.61 2cuq h PHE 73 CO -0.26 0.90 -0.06 0.00 -0.60 0.00 0.00 178.31 178.29 2cuq h ALA 74 N 0.72 0.00 -2.40 2.45 0.00 -1.78 -3.43 119.26 114.83 2cuq h ALA 74 Ca 0.05 0.03 -0.50 0.00 0.00 0.00 0.00 54.91 54.49 2cuq h ALA 74 Cb 0.74 0.12 0.09 0.00 0.00 0.00 0.00 17.79 18.74 2cuq h ALA 74 CO 0.05 -0.53 0.37 -1.12 0.00 0.00 0.00 179.25 178.02 2cuq s SER 75 N -5.14 5.29 0.00 0.00 0.01 -1.22 -4.97 113.70 107.67 2cuq s SER 75 Ca -0.14 1.89 0.00 0.00 1.31 0.00 0.00 55.95 59.01 2cuq s SER 75 Cb 0.08 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.77 2cuq s SER 75 CO 0.67 -1.50 0.00 0.61 0.41 0.00 0.00 173.24 173.43 2cuq n GLY 76 N -0.87 4.18 0.00 3.44 0.00 -1.26 -4.85 105.19 105.83 2cuq n GLY 76 Ca 0.09 -0.59 0.05 0.00 0.00 0.00 0.00 46.02 45.57 2cuq n GLY 76 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cuq n PRO 77 N -0.28 0.49 -4.40 1.61 -0.04 -1.26 -4.53 135.00 126.58 2cuq n PRO 77 Ca 0.00 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.26 2cuq n PRO 77 Cb 0.00 -1.30 -0.10 0.00 -0.04 0.00 0.00 33.50 32.06 2cuq n PRO 77 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2cuq s SER 78 N -1.80 2.31 -1.60 3.54 1.04 -1.26 -4.80 113.70 111.12 2cuq s SER 78 Ca 0.14 -1.26 -0.15 0.00 0.48 0.00 0.00 55.95 55.16 2cuq s SER 78 Cb 0.06 -0.08 0.15 0.00 0.10 0.00 0.00 66.02 66.25 2cuq s SER 78 CO 0.11 -0.49 0.36 -1.20 0.98 0.00 0.00 173.24 173.00 2cuq n SER 79 N -0.56 -0.83 0.00 7.02 7.64 -1.26 -5.07 113.62 120.55 2cuq n SER 79 Ca -0.04 -1.13 0.00 0.00 1.01 0.00 0.00 58.87 58.71 2cuq n SER 79 Cb 0.65 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.41 2cuq n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64