#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqq s LEU 2 N 0.00 5.52 -0.33 -0.89 1.02 -1.26 -4.76 118.68 117.98 1sqq s LEU 2 Ca 0.00 -1.89 0.03 0.00 0.02 0.00 0.00 54.13 52.28 1sqq s LEU 2 Cb 0.00 -1.96 0.16 0.00 0.02 0.00 0.00 46.19 44.40 1sqq s LEU 2 CO 0.00 -0.64 0.40 -0.55 0.02 0.00 0.00 176.35 175.58 1sqq s SER 3 N 2.40 0.66 0.13 2.29 0.15 -1.26 -5.05 113.70 113.02 1sqq s SER 3 Ca 0.06 -0.86 -0.18 0.00 0.70 0.00 0.00 55.95 55.67 1sqq s SER 3 Cb -0.25 0.92 -0.03 0.00 -1.71 0.00 0.00 66.02 64.95 1sqq s SER 3 CO -0.01 -0.31 1.77 0.58 1.20 0.00 0.00 173.24 176.47 1sqq h VAL 4 N 5.73 1.01 0.00 4.45 2.07 -2.00 0.40 116.25 127.90 1sqq h VAL 4 Ca -0.04 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1sqq h VAL 4 Cb 1.10 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1sqq h VAL 4 CO 0.24 0.05 0.00 0.00 0.02 0.00 0.00 177.57 177.88 1sqq n ALA 5 N -2.21 0.00 0.79 1.67 0.00 -1.26 -4.15 120.51 115.36 1sqq n ALA 5 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1sqq n ALA 5 Cb 0.06 0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.54 1sqq n ALA 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sqq n ALA 6 N -2.63 2.22 0.26 0.00 0.00 0.12 0.23 120.51 120.70 1sqq n ALA 6 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1sqq n ALA 6 Cb 0.00 -1.00 0.64 0.00 0.00 0.00 0.00 19.45 19.09 1sqq n ALA 6 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1sqq h ARG 7 N 0.27 0.00 0.00 0.00 9.65 -1.09 -3.46 114.38 119.74 1sqq h ARG 7 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1sqq h ARG 7 Cb 0.52 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.10 1sqq h ARG 7 CO 0.00 0.11 0.00 0.45 2.80 0.00 0.00 179.97 183.33 1sqq n SER 8 N -3.30 0.00 0.00 -3.80 2.88 0.62 -5.00 113.62 105.02 1sqq n SER 8 Ca -0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1sqq n SER 8 Cb 0.33 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 1sqq n SER 8 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1sqq n GLY 9 N 0.00 -1.74 3.78 0.46 0.00 -1.24 -4.41 105.19 102.04 1sqq n GLY 9 Ca 0.00 0.60 -0.30 0.00 0.00 0.00 0.00 46.02 46.32 1sqq n GLY 9 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1sqq s PRO 10 N 0.00 1.87 0.27 1.61 0.04 -1.26 -1.92 135.00 135.61 1sqq s PRO 10 Ca 0.00 0.66 -0.29 0.00 0.04 0.00 0.00 61.00 61.41 1sqq s PRO 10 Cb 0.00 -1.89 -0.09 0.00 0.04 0.00 0.00 34.50 32.56 1sqq s PRO 10 CO 0.00 -1.78 1.02 -0.06 0.04 0.00 0.00 177.00 176.22 1sqq s PHE 11 N -3.11 3.74 -0.27 0.56 2.99 -1.26 -4.51 117.98 116.12 1sqq s PHE 11 Ca 0.61 1.80 -0.00 0.00 0.00 0.00 0.00 56.93 59.34 1sqq s PHE 11 Cb -0.15 -3.11 0.08 0.00 0.00 0.00 0.00 43.02 39.83 1sqq s PHE 11 CO 0.55 -0.06 0.03 0.00 -0.00 0.00 0.00 175.22 175.74 1sqq s ALA 12 N -1.24 1.71 0.61 5.36 0.00 -1.26 -4.81 121.76 122.13 1sqq s ALA 12 Ca 0.44 -1.47 -0.14 0.00 0.00 0.00 0.00 51.96 50.79 1sqq s ALA 12 Cb -0.28 -1.51 -0.03 0.00 0.00 0.00 0.00 23.12 21.30 1sqq s ALA 12 CO 0.35 -1.42 1.05 -1.25 0.00 0.00 0.00 175.76 174.49 1sqq s PRO 13 N 1.52 3.33 -0.16 0.00 0.04 -1.26 -3.00 135.00 135.46 1sqq s PRO 13 Ca 0.03 1.09 -0.06 0.00 0.04 0.00 0.00 61.00 62.10 1sqq s PRO 13 Cb -0.18 -2.04 0.08 0.00 0.04 0.00 0.00 34.50 32.40 1sqq s PRO 13 CO -0.14 -0.79 0.34 0.08 0.04 0.00 0.00 177.00 176.52 1sqq s VAL 14 N -2.65 -0.50 0.43 -0.36 1.01 -0.66 -4.98 120.40 112.69 1sqq s VAL 14 Ca 0.61 0.22 0.08 0.00 0.00 0.00 0.00 61.98 62.89 1sqq s VAL 14 Cb -0.14 -0.54 -0.01 0.00 0.00 0.00 0.00 36.38 35.68 1sqq s VAL 14 CO 0.41 0.09 0.44 -0.76 0.00 0.00 0.00 175.10 175.29 1sqq s LEU 15 N 2.46 3.42 -0.13 3.92 2.01 -1.26 -1.08 118.68 128.02 1sqq s LEU 15 Ca -0.01 -0.69 -0.24 0.00 0.01 0.00 0.00 54.13 53.20 1sqq s LEU 15 Cb -0.12 -2.15 0.06 0.00 0.01 0.00 0.00 46.19 43.99 1sqq s LEU 15 CO -0.10 -0.73 0.59 -0.55 1.01 0.00 0.00 176.35 176.57 1sqq s SER 16 N -4.21 -0.58 0.21 2.29 0.15 -1.26 -5.00 113.70 105.30 1sqq s SER 16 Ca 0.50 0.86 -0.18 0.00 0.70 0.00 0.00 55.95 57.82 1sqq s SER 16 Cb -0.05 0.83 0.19 0.00 -1.71 0.00 0.00 66.02 65.28 1sqq s SER 16 CO 0.29 -0.40 1.57 0.00 1.20 0.00 0.00 173.24 175.90 1sqq h ALA 17 N 4.13 0.10 0.00 5.45 0.00 -2.02 -3.45 119.26 123.47 1sqq h ALA 17 Ca -0.28 0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1sqq h ALA 17 Cb 1.16 0.86 0.00 0.00 0.00 0.00 0.00 17.79 19.81 1sqq h ALA 17 CO 0.27 -0.63 -0.04 -2.37 0.00 0.00 0.00 179.25 176.48 1sqq n THR 18 N -5.46 0.42 -0.67 0.00 5.66 -1.26 -5.02 114.28 107.95 1sqq n THR 18 Ca 0.07 0.17 0.00 0.00 -3.05 0.00 0.00 64.05 61.24 1sqq n THR 18 Cb 0.38 -1.26 0.00 0.00 -1.55 0.00 0.00 70.33 67.90 1sqq n THR 18 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1sqq n SER 19 N -2.87 -0.21 -4.54 1.09 3.41 -1.26 -5.05 113.62 104.18 1sqq n SER 19 Ca -0.01 -0.67 -0.29 0.00 -0.26 0.00 0.00 58.87 57.65 1sqq n SER 19 Cb 0.02 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.87 1sqq n SER 19 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1sqq s ARG 20 N -2.34 1.97 0.13 4.33 0.52 -1.26 -4.47 118.95 117.83 1sqq s ARG 20 Ca 0.00 -1.17 -0.31 0.00 -0.52 0.00 0.00 55.73 53.73 1sqq s ARG 20 Cb 0.00 -2.18 -0.10 0.00 0.52 0.00 0.00 34.95 33.18 1sqq s ARG 20 CO 0.00 0.47 1.81 0.20 0.02 0.00 0.00 175.30 177.80 1sqq s GLY 21 N -2.39 1.34 0.13 -3.53 0.00 -1.26 -4.83 107.32 96.79 1sqq s GLY 21 Ca 0.21 1.45 0.09 0.00 0.00 0.00 0.00 44.72 46.47 1sqq s GLY 21 CO 0.13 3.11 -0.16 0.14 0.00 0.00 0.00 173.10 176.32 1sqq s VAL 22 N 2.61 2.93 0.29 1.40 1.01 -0.24 -4.98 120.40 123.41 1sqq s VAL 22 Ca 0.80 -1.55 0.02 0.00 0.00 0.00 0.00 61.98 61.25 1sqq s VAL 22 Cb -0.46 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.50 1sqq s VAL 22 CO 0.36 0.04 0.09 0.00 0.00 0.00 0.00 175.10 175.59 1sqq s ALA 23 N -1.30 1.98 0.00 5.51 0.00 -1.26 -1.66 121.76 125.03 1sqq s ALA 23 Ca 0.20 -1.90 0.00 0.00 0.00 0.00 0.00 51.96 50.25 1sqq s ALA 23 Cb -0.10 0.92 0.00 0.00 0.00 0.00 0.00 23.12 23.94 1sqq s ALA 23 CO 0.11 -0.41 0.00 0.41 0.00 0.00 0.00 175.76 175.87 1sqq n GLY 24 N -0.55 0.72 0.00 0.00 0.00 -1.16 -4.95 105.19 99.24 1sqq n GLY 24 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1sqq n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqq n ALA 25 N -1.94 0.00 -2.98 4.61 0.00 -1.26 -4.87 120.51 114.07 1sqq n ALA 25 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1sqq n ALA 25 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1sqq n ALA 25 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1sqq n LEU 26 N 0.00 -1.34 -0.06 0.00 4.32 -0.81 -4.70 117.00 114.41 1sqq n LEU 26 Ca 0.00 -4.01 0.00 0.00 -0.02 0.00 0.00 56.01 51.98 1sqq n LEU 26 Cb 0.00 0.73 0.00 0.00 -1.62 0.00 0.00 43.42 42.53 1sqq n LEU 26 CO 0.00 2.03 0.00 -2.11 -1.22 0.00 0.00 177.39 176.09 1sqq n ARG 27 N 1.58 0.00 -2.45 3.23 -4.01 -1.26 -3.81 116.66 109.95 1sqq n ARG 27 Ca 0.16 0.00 -0.41 0.00 -1.04 0.00 0.00 57.85 56.55 1sqq n ARG 27 Cb 0.58 -0.02 -0.03 0.00 -3.04 0.00 0.00 32.46 29.94 1sqq n ARG 27 CO 0.00 0.00 0.00 -1.25 -3.04 0.00 0.00 177.63 173.34 1sqq s PRO 28 N -0.01 4.50 0.13 2.89 0.04 -1.26 -4.61 135.00 136.68 1sqq s PRO 28 Ca 0.00 1.77 -0.06 0.00 0.04 0.00 0.00 61.00 62.75 1sqq s PRO 28 Cb 0.00 -3.30 -0.09 0.00 0.04 0.00 0.00 34.50 31.15 1sqq s PRO 28 CO 0.00 -0.10 1.32 1.25 0.04 0.00 0.00 177.00 179.51 1sqq h LEU 29 N 5.84 0.63 -0.19 -3.56 5.85 -1.98 -3.51 115.31 118.40 1sqq h LEU 29 Ca -0.43 -0.47 -0.07 0.00 0.84 0.00 0.00 57.88 57.75 1sqq h LEU 29 Cb 1.21 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 42.05 1sqq h LEU 29 CO 0.76 1.26 -0.16 0.58 -0.34 0.00 0.00 178.44 180.54 1sqq h VAL 30 N 0.31 1.33 0.00 1.05 2.07 -2.01 -1.92 116.25 117.08 1sqq h VAL 30 Ca -0.07 -1.29 0.00 0.00 0.82 0.00 0.00 66.70 66.16 1sqq h VAL 30 Cb 1.51 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 33.03 1sqq h VAL 30 CO 0.16 0.39 0.00 0.00 0.02 0.00 0.00 177.57 178.14 1sqq n GLN 31 N -4.50 0.61 -0.54 1.57 6.02 -1.26 -3.77 117.38 115.52 1sqq n GLN 31 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 1sqq n GLN 31 Cb 0.37 -1.19 -0.00 0.00 1.02 0.00 0.00 30.24 30.44 1sqq n GLN 31 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1sqq n ALA 32 N 1.22 2.03 1.08 -1.58 0.00 -0.72 -4.41 120.51 118.13 1sqq n ALA 32 Ca 0.00 -0.77 0.08 0.00 0.00 0.00 0.00 53.44 52.75 1sqq n ALA 32 Cb 0.31 -0.37 0.25 0.00 0.00 0.00 0.00 19.45 19.64 1sqq n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sqq n ALA 33 N 0.02 2.48 0.00 0.00 0.00 -1.25 -4.61 120.51 117.15 1sqq n ALA 33 Ca -0.00 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.89 1sqq n ALA 33 Cb 0.66 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 19.08 1sqq n ALA 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1sqq n VAL 34 N 0.38 0.00 -3.18 0.00 0.31 -1.26 -4.67 118.33 109.91 1sqq n VAL 34 Ca 0.13 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.24 1sqq n VAL 34 Cb 0.29 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.23 1sqq n VAL 34 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1sqq s PRO 35 N -1.00 3.21 0.37 5.55 0.02 -1.26 -5.14 135.00 136.75 1sqq s PRO 35 Ca 0.00 -0.51 -0.08 0.00 0.02 0.00 0.00 61.00 60.44 1sqq s PRO 35 Cb 0.00 -2.63 0.03 0.00 0.02 0.00 0.00 34.50 31.93 1sqq s PRO 35 CO 0.00 -0.09 0.63 0.00 -0.33 0.00 0.00 177.00 177.20 1sqq n ALA 36 N -1.93 -0.99 -4.42 -1.55 0.00 -1.26 -4.59 120.51 105.77 1sqq n ALA 36 Ca -0.01 -1.47 -0.38 0.00 0.00 0.00 0.00 53.44 51.58 1sqq n ALA 36 Cb 0.57 1.18 -0.08 0.00 0.00 0.00 0.00 19.45 21.13 1sqq n ALA 36 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1sqq n THR 37 N -0.56 -0.56 -3.19 0.00 -1.04 -1.26 -5.01 114.28 102.66 1sqq n THR 37 Ca -0.04 -0.17 -0.44 0.00 -2.04 0.00 0.00 64.05 61.36 1sqq n THR 37 Cb 0.59 -0.89 0.00 0.00 -1.82 0.00 0.00 70.33 68.22 1sqq n THR 37 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1sqq n SER 38 N -2.63 5.86 -3.05 8.00 2.88 -1.26 -4.97 113.62 118.45 1sqq n SER 38 Ca -0.04 -3.18 0.00 0.00 -1.33 0.00 0.00 58.87 54.32 1sqq n SER 38 Cb 0.54 -1.35 0.00 0.00 -0.75 0.00 0.00 64.21 62.65 1sqq n SER 38 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1sqq n GLU 39 N 2.25 0.69 0.00 -1.46 -0.00 -1.26 -4.90 120.64 115.96 1sqq n GLU 39 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.41 1sqq n GLU 39 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.81 1sqq n GLU 39 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1sqq n SER 40 N -0.62 0.00 0.00 -1.84 3.41 -1.26 -5.14 113.62 108.17 1sqq n SER 40 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1sqq n SER 40 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1sqq n SER 40 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1sqq n PRO 41 N 0.15 0.00 -3.67 4.33 -0.02 -1.26 -4.95 135.00 129.59 1sqq n PRO 41 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.12 1sqq n PRO 41 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.40 1sqq n PRO 41 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1sqq s VAL 42 N 0.00 4.12 0.00 -1.45 1.01 -1.26 -5.02 120.40 117.81 1sqq s VAL 42 Ca 0.00 -3.55 0.00 0.00 0.00 0.00 0.00 61.98 58.43 1sqq s VAL 42 Cb 0.00 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.78 1sqq s VAL 42 CO 0.00 -1.01 0.00 0.18 0.00 0.00 0.00 175.10 174.27 1sqq n LEU 43 N 2.74 0.00 -3.59 3.92 4.77 -1.26 -5.18 117.00 118.40 1sqq n LEU 43 Ca 0.17 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 56.00 1sqq n LEU 43 Cb 0.37 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.40 1sqq n LEU 43 CO 0.35 0.00 0.29 1.51 -1.33 0.00 0.00 177.39 178.21 1sqq s ASP 44 N 0.00 -0.47 -0.80 -1.43 3.84 -1.26 -4.93 116.67 111.62 1sqq s ASP 44 Ca 0.00 0.33 -0.19 0.00 -0.00 0.00 0.00 52.55 52.69 1sqq s ASP 44 Cb 0.00 0.48 -0.21 0.00 -1.38 0.00 0.00 42.92 41.81 1sqq s ASP 44 CO 0.00 -0.64 2.02 0.00 -0.00 0.00 0.00 175.17 176.55 1sqq n LEU 45 N 0.71 -0.22 0.00 2.11 -0.00 -1.26 -4.93 117.00 113.41 1sqq n LEU 45 Ca -0.19 -0.04 0.00 0.00 -0.00 0.00 0.00 56.01 55.78 1sqq n LEU 45 Cb 0.59 -0.64 0.00 0.00 -0.00 0.00 0.00 43.42 43.37 1sqq n LEU 45 CO 0.21 -0.76 0.00 1.17 -0.00 0.00 0.00 177.39 178.01 1sqq n LYS 46 N 6.03 0.00 0.00 1.47 4.81 -1.26 -5.21 118.16 124.00 1sqq n LYS 46 Ca 0.53 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.97 1sqq n LYS 46 Cb 0.05 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.10 1sqq n LYS 46 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1sqq n ARG 47 N 0.00 0.00 -4.36 1.64 0.00 -1.26 -5.15 116.66 107.53 1sqq n ARG 47 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 57.85 57.61 1sqq n ARG 47 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.38 1sqq n ARG 47 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1sqq s SER 48 N 0.00 4.16 0.08 6.15 0.01 -1.26 -4.87 113.70 117.97 1sqq s SER 48 Ca 0.00 -0.82 0.06 0.00 1.31 0.00 0.00 55.95 56.49 1sqq s SER 48 Cb 0.00 -0.61 -0.03 0.00 0.21 0.00 0.00 66.02 65.59 1sqq s SER 48 CO 0.00 -0.01 -0.15 -0.69 0.41 0.00 0.00 173.24 172.80 1sqq s VAL 49 N -2.41 1.22 0.00 3.43 1.01 -1.26 -4.58 120.40 117.80 1sqq s VAL 49 Ca 0.31 -1.39 0.00 0.00 0.00 0.00 0.00 61.98 60.90 1sqq s VAL 49 Cb -0.05 -1.19 0.00 0.00 0.00 0.00 0.00 36.38 35.13 1sqq s VAL 49 CO 0.18 -0.23 0.00 0.00 0.00 0.00 0.00 175.10 175.05 1sqq n LEU 50 N 1.15 0.00 0.00 3.92 -0.00 -1.26 -4.96 117.00 115.86 1sqq n LEU 50 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.81 1sqq n LEU 50 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.96 1sqq n LEU 50 CO 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.61 1sqq s ARG 52 N 0.00 0.68 -0.16 0.00 0.52 -1.26 -4.59 118.95 114.15 1sqq s ARG 52 Ca 0.00 -0.14 -0.00 0.00 -0.52 0.00 0.00 55.73 55.07 1sqq s ARG 52 Cb 0.00 0.31 -0.00 0.00 0.52 0.00 0.00 34.95 35.77 1sqq s ARG 52 CO 0.00 -0.19 0.13 0.39 0.02 0.00 0.00 175.30 175.66 1sqq n GLU 53 N 1.31 -0.63 -3.15 3.54 1.02 -1.26 -4.51 120.64 116.96 1sqq n GLU 53 Ca -0.21 0.12 0.05 0.00 -0.02 0.00 0.00 57.16 57.10 1sqq n GLU 53 Cb 0.56 -2.55 -0.00 0.00 -0.02 0.00 0.00 31.44 29.43 1sqq n GLU 53 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1sqq s SER 54 N -3.12 -1.06 0.00 1.62 0.15 -1.26 -5.13 113.70 104.90 1sqq s SER 54 Ca 0.03 0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.95 1sqq s SER 54 Cb -0.00 1.73 0.00 0.00 -1.71 0.00 0.00 66.02 66.03 1sqq s SER 54 CO 0.10 -0.19 0.00 -0.11 1.20 0.00 0.00 173.24 174.24 1sqq n LEU 55 N 5.33 0.00 0.00 3.45 -0.00 -1.26 -5.11 117.00 119.41 1sqq n LEU 55 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.05 1sqq n LEU 55 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.97 1sqq n LEU 55 CO -0.09 0.00 0.00 0.54 -0.00 0.00 0.00 177.39 177.84 1sqq n ARG 56 N 0.00 0.00 0.00 1.96 5.12 -1.26 -5.30 116.66 117.18 1sqq n ARG 56 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1sqq n ARG 56 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 1sqq n ARG 56 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11