#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crn n SER 2 N 0.00 -1.10 -0.12 1.61 3.41 -1.26 -4.76 113.62 111.40 2crn n SER 2 Ca 0.00 -1.07 -0.23 0.00 -0.26 0.00 0.00 58.87 57.31 2crn n SER 2 Cb 0.00 -1.36 -0.09 0.00 -0.26 0.00 0.00 64.21 62.50 2crn n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2crn n SER 3 N -2.05 1.84 -3.04 4.04 2.88 -1.26 -5.04 113.62 110.99 2crn n SER 3 Ca 0.03 0.19 -0.09 0.00 -1.33 0.00 0.00 58.87 57.67 2crn n SER 3 Cb 0.42 -0.62 0.04 0.00 -0.75 0.00 0.00 64.21 63.31 2crn n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2crn n GLY 4 N 1.73 0.97 0.97 0.46 0.00 -1.26 -5.07 105.19 102.99 2crn n GLY 4 Ca -0.45 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 43.54 2crn n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2crn n SER 5 N -2.92 0.68 -3.89 1.61 7.64 -1.26 -5.11 113.62 110.37 2crn n SER 5 Ca 0.07 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.84 2crn n SER 5 Cb 0.23 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.33 2crn n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2crn s SER 6 N -4.43 0.07 0.13 6.43 0.01 -1.26 -5.06 113.70 109.59 2crn s SER 6 Ca 0.00 -0.27 -0.17 0.00 1.31 0.00 0.00 55.95 56.82 2crn s SER 6 Cb 0.00 0.19 -0.02 0.00 0.21 0.00 0.00 66.02 66.40 2crn s SER 6 CO 0.00 -0.36 1.68 1.23 0.41 0.00 0.00 173.24 176.20 2crn h GLY 7 N 4.31 0.58 -7.53 3.44 0.00 -2.07 -3.35 103.07 98.46 2crn h GLY 7 Ca -0.31 -0.31 -0.66 0.00 0.00 0.00 0.00 47.33 46.05 2crn h GLY 7 CO 0.41 0.29 1.71 -0.56 0.00 0.00 0.00 176.54 178.39 2crn s SER 8 N -5.79 6.72 -0.64 0.19 0.01 -1.26 -4.87 113.70 108.06 2crn s SER 8 Ca -0.13 -2.11 0.05 0.00 1.31 0.00 0.00 55.95 55.07 2crn s SER 8 Cb 0.10 -2.54 0.17 0.00 0.21 0.00 0.00 66.02 63.96 2crn s SER 8 CO 0.74 -1.23 0.46 -0.55 0.41 0.00 0.00 173.24 173.07 2crn s SER 9 N 4.27 4.13 -1.13 2.44 0.15 -1.26 -5.04 113.70 117.27 2crn s SER 9 Ca 0.48 -3.69 -0.23 0.00 0.70 0.00 0.00 55.95 53.20 2crn s SER 9 Cb 0.01 -1.39 -0.08 0.00 -1.71 0.00 0.00 66.02 62.85 2crn s SER 9 CO -0.01 -0.10 1.94 -2.16 1.20 0.00 0.00 173.24 174.10 2crn s PRO 10 N -1.14 2.51 -0.09 5.44 0.04 -1.26 -4.53 135.00 135.96 2crn s PRO 10 Ca 0.26 -0.99 -0.07 0.00 0.04 0.00 0.00 61.00 60.25 2crn s PRO 10 Cb -0.03 -5.21 -0.04 0.00 0.04 0.00 0.00 34.50 29.26 2crn s PRO 10 CO -0.17 -3.86 -0.16 0.43 0.04 0.00 0.00 177.00 173.28 2crn n SER 11 N 14.30 1.06 0.14 6.66 7.64 -1.26 -4.26 113.62 137.91 2crn n SER 11 Ca 0.44 0.17 0.02 0.00 1.01 0.00 0.00 58.87 60.51 2crn n SER 11 Cb 0.47 -0.41 0.13 0.00 -1.01 0.00 0.00 64.21 63.39 2crn n SER 11 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2crn h LEU 12 N -0.44 0.00 -0.21 -3.43 3.38 -2.02 -3.16 115.31 109.43 2crn h LEU 12 Ca -0.21 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.58 2crn h LEU 12 Cb 0.99 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 2crn h LEU 12 CO -0.12 0.55 -0.87 -0.07 0.09 0.00 0.00 178.44 178.02 2crn h LEU 13 N 0.00 0.00 -0.79 1.67 -0.00 -1.89 -3.24 115.31 111.06 2crn h LEU 13 Ca -0.01 0.00 0.09 0.00 -0.00 0.00 0.00 57.88 57.96 2crn h LEU 13 Cb 1.24 0.00 -0.11 0.00 -0.00 0.00 0.00 40.66 41.79 2crn h LEU 13 CO 0.07 0.87 -0.54 -0.33 -0.00 0.00 0.00 178.44 178.51 2crn h GLU 14 N 0.00 -0.13 -0.37 1.13 4.39 -1.72 1.98 114.58 119.86 2crn h GLU 14 Ca -0.01 0.01 -0.16 0.00 0.34 0.00 0.00 59.36 59.54 2crn h GLU 14 Cb 1.56 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 30.23 2crn h GLU 14 CO 0.11 -0.08 -0.39 -1.00 -1.16 0.00 0.00 179.01 176.49 2crn h PRO 15 N -0.13 0.90 0.00 2.33 0.13 -1.75 -0.29 132.00 133.19 2crn h PRO 15 Ca 0.16 -0.47 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2crn h PRO 15 Cb 0.50 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.65 2crn h PRO 15 CO -0.83 1.12 0.00 1.28 -0.23 0.00 0.00 178.00 179.35 2crn n LEU 16 N -4.05 0.53 -0.11 1.56 4.77 -0.42 -2.42 117.00 116.87 2crn n LEU 16 Ca -0.02 0.61 -0.24 0.00 -0.03 0.00 0.00 56.01 56.32 2crn n LEU 16 Cb 0.54 -0.50 -0.11 0.00 -2.33 0.00 0.00 43.42 41.02 2crn n LEU 16 CO 0.48 -0.38 -1.13 0.18 -1.33 0.00 0.00 177.39 175.20 2crn n LEU 17 N -2.06 2.25 0.31 2.23 4.77 0.66 -3.00 117.00 122.16 2crn n LEU 17 Ca 0.03 0.24 0.21 0.00 -0.03 0.00 0.00 56.01 56.46 2crn n LEU 17 Cb 0.27 -0.91 1.01 0.00 -2.33 0.00 0.00 43.42 41.46 2crn n LEU 17 CO 0.21 0.62 1.11 0.00 -1.33 0.00 0.00 177.39 178.01 2crn h ALA 18 N -0.52 1.00 0.00 -1.18 0.00 -1.06 -1.26 119.26 116.23 2crn h ALA 18 Ca -0.56 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.27 2crn h ALA 18 Cb 1.66 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 2crn h ALA 18 CO -0.24 0.00 -0.37 0.52 0.00 0.00 0.00 179.25 179.16 2crn h MET 19 N 0.00 0.00 0.00 0.00 2.86 -1.66 -3.47 114.93 112.66 2crn h MET 19 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2crn h MET 19 Cb 0.19 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.85 2crn h MET 19 CO 0.00 0.37 0.00 0.41 1.06 0.00 0.00 176.91 178.75 2crn n GLY 20 N 0.74 1.17 3.77 8.32 0.00 -0.48 -5.11 105.19 113.61 2crn n GLY 20 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 2crn n GLY 20 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2crn s PHE 21 N -0.89 3.02 0.00 1.61 0.08 -1.16 -4.92 117.98 115.72 2crn s PHE 21 Ca 0.00 1.42 0.00 0.00 0.12 0.00 0.00 56.93 58.47 2crn s PHE 21 Cb 0.00 -3.67 0.00 0.00 -0.57 0.00 0.00 43.02 38.78 2crn s PHE 21 CO 0.00 -1.87 0.00 -0.35 -0.10 0.00 0.00 175.22 172.90 2crn n PRO 22 N 0.71 0.24 -0.07 0.24 -0.04 -1.26 -4.04 135.00 130.78 2crn n PRO 22 Ca 0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.40 2crn n PRO 22 Cb 0.42 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.85 2crn n PRO 22 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2crn h VAL 23 N -0.89 0.27 -1.00 0.52 2.07 -1.94 -2.89 116.25 112.38 2crn h VAL 23 Ca 0.00 -1.27 0.25 0.00 0.82 0.00 0.00 66.70 66.51 2crn h VAL 23 Cb 0.00 0.57 -0.08 0.00 -1.52 0.00 0.00 31.29 30.27 2crn h VAL 23 CO 0.00 0.09 0.67 1.12 0.02 0.00 0.00 177.57 179.47 2crn h HIS 24 N -1.00 0.49 0.14 1.57 -0.00 -1.96 0.11 115.15 114.51 2crn h HIS 24 Ca -0.05 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.33 2crn h HIS 24 Cb 0.51 -0.15 0.00 0.00 -0.00 0.00 0.00 27.41 27.77 2crn h HIS 24 CO -0.07 0.08 -0.07 1.15 -0.00 0.00 0.00 177.93 179.01 2crn h THR 25 N 0.32 0.58 -0.90 6.12 2.02 -1.87 -2.85 112.91 116.33 2crn h THR 25 Ca 0.54 -1.16 0.19 0.00 0.77 0.00 0.00 66.41 66.75 2crn h THR 25 Cb 1.50 1.03 -0.07 0.00 -1.74 0.00 0.00 68.15 68.88 2crn h THR 25 CO -0.20 0.17 0.59 0.00 0.37 0.00 0.00 175.52 176.45 2crn h ALA 26 N -0.61 2.11 -0.23 6.16 0.00 -1.15 -0.67 119.26 124.87 2crn h ALA 26 Ca -0.02 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2crn h ALA 26 Cb 0.43 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2crn h ALA 26 CO 0.03 -0.39 -0.04 -0.07 0.00 0.00 0.00 179.25 178.78 2crn h LEU 27 N 0.47 0.43 -0.12 0.00 3.38 -0.87 -1.62 115.31 116.98 2crn h LEU 27 Ca 0.47 -0.35 0.03 0.00 0.09 0.00 0.00 57.88 58.12 2crn h LEU 27 Cb 1.08 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 2crn h LEU 27 CO -0.19 0.68 -0.06 0.11 0.09 0.00 0.00 178.44 179.07 2crn h LYS 28 N 0.17 -0.04 -0.91 1.13 1.57 -0.90 0.44 116.57 118.03 2crn h LYS 28 Ca 0.06 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 2crn h LYS 28 Cb 0.48 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.76 2crn h LYS 28 CO 0.02 -0.03 0.54 0.00 -0.57 0.00 0.00 179.45 179.41 2crn h ALA 29 N 1.07 1.17 0.77 3.86 0.00 -1.37 -0.98 119.26 123.78 2crn h ALA 29 Ca 0.07 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2crn h ALA 29 Cb 0.14 -0.37 0.01 0.00 0.00 0.00 0.00 17.79 17.57 2crn h ALA 29 CO -0.15 0.64 -0.37 -0.07 0.00 0.00 0.00 179.25 179.30 2crn h LEU 30 N 1.26 -0.88 -1.92 0.00 3.38 -0.76 -1.50 115.31 114.90 2crn h LEU 30 Ca 0.33 0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.44 2crn h LEU 30 Cb -0.03 0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2crn h LEU 30 CO -0.06 -0.55 0.35 0.00 0.09 0.00 0.00 178.44 178.28 2crn h ALA 31 N -1.08 2.35 0.21 1.53 0.00 -0.87 0.23 119.26 121.63 2crn h ALA 31 Ca -0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2crn h ALA 31 Cb 0.81 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2crn h ALA 31 CO 0.17 -0.49 -0.10 0.00 0.00 0.00 0.00 179.25 178.83 2crn h ALA 32 N 1.75 -0.28 0.00 0.00 0.00 -0.94 -3.12 119.26 116.66 2crn h ALA 32 Ca 0.24 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2crn h ALA 32 Cb 0.83 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 2crn h ALA 32 CO -0.02 -0.47 -0.17 1.79 0.00 0.00 0.00 179.25 180.39 2crn h THR 33 N -0.67 0.45 -0.11 0.00 1.35 -0.63 -3.47 112.91 109.83 2crn h THR 33 Ca -0.03 -0.90 0.00 0.00 -0.55 0.00 0.00 66.41 64.93 2crn h THR 33 Cb 0.47 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 2crn h THR 33 CO 0.05 0.16 0.00 0.61 -0.25 0.00 0.00 175.52 176.09 2crn n GLY 34 N -0.03 0.82 4.25 5.82 0.00 0.60 -4.45 105.19 112.22 2crn n GLY 34 Ca -0.00 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 2crn n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2crn n ARG 35 N -0.06 -0.85 -0.02 1.61 1.74 -0.09 -4.85 116.66 114.16 2crn n ARG 35 Ca 0.00 0.10 -0.00 0.00 -0.77 0.00 0.00 57.85 57.18 2crn n ARG 35 Cb 0.04 -3.81 -0.00 0.00 -1.02 0.00 0.00 32.46 27.67 2crn n ARG 35 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2crn h LYS 36 N -1.23 -0.01 -3.40 5.56 1.79 -1.82 -3.50 116.57 113.97 2crn h LYS 36 Ca -0.59 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 57.82 2crn h LYS 36 Cb 1.29 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.81 2crn h LYS 36 CO 0.74 -0.01 -0.13 -0.08 -1.08 0.00 0.00 179.45 178.89 2crn s THR 37 N -1.31 0.08 0.25 -0.16 -1.32 -1.26 -5.04 115.64 106.87 2crn s THR 37 Ca -0.00 -0.66 -0.04 0.00 -1.21 0.00 0.00 61.69 59.78 2crn s THR 37 Cb 0.00 -1.15 0.22 0.00 -1.51 0.00 0.00 72.50 70.06 2crn s THR 37 CO 0.00 -0.36 1.78 0.00 -2.21 0.00 0.00 174.62 173.83 2crn h ALA 38 N 2.56 1.17 0.24 11.08 0.00 -1.96 -2.28 119.26 130.08 2crn h ALA 38 Ca -0.33 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2crn h ALA 38 Cb 1.24 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2crn h ALA 38 CO 0.48 -0.03 -0.13 1.49 0.00 0.00 0.00 179.25 181.06 2crn h GLU 39 N 0.66 -0.34 -0.93 0.00 4.57 -1.96 -2.71 114.58 113.86 2crn h GLU 39 Ca 0.41 0.02 0.29 0.00 -1.18 0.00 0.00 59.36 58.91 2crn h GLU 39 Cb 0.50 0.08 -0.17 0.00 -0.16 0.00 0.00 28.75 28.99 2crn h GLU 39 CO -0.31 -0.23 0.15 0.39 -1.18 0.00 0.00 179.01 177.84 2crn n GLU 40 N -5.25 -0.07 -0.33 1.92 -0.58 -0.86 0.19 120.64 115.65 2crn n GLU 40 Ca -0.09 1.37 0.01 0.00 -0.42 0.00 0.00 57.16 58.02 2crn n GLU 40 Cb 0.17 -2.25 0.14 0.00 -0.57 0.00 0.00 31.44 28.94 2crn n GLU 40 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2crn h ALA 41 N 1.87 1.24 -0.53 0.62 0.00 -1.43 -1.49 119.26 119.54 2crn h ALA 41 Ca 0.63 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.48 2crn h ALA 41 Cb 1.43 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 2crn h ALA 41 CO -0.83 0.38 0.19 -0.07 0.00 0.00 0.00 179.25 178.92 2crn h LEU 42 N 1.08 0.70 -1.26 0.00 -0.00 0.21 0.34 115.31 116.39 2crn h LEU 42 Ca 0.39 -0.09 -0.06 0.00 -0.00 0.00 0.00 57.88 58.11 2crn h LEU 42 Cb 0.11 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 40.59 2crn h LEU 42 CO -0.16 0.65 -0.28 0.00 -0.00 0.00 0.00 178.44 178.65 2crn h ALA 43 N 1.46 1.13 0.00 1.53 0.00 -0.76 -0.96 119.26 121.66 2crn h ALA 43 Ca 0.18 -0.26 -0.26 0.00 0.00 0.00 0.00 54.91 54.57 2crn h ALA 43 Cb 0.18 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 2crn h ALA 43 CO -0.01 0.35 -1.48 2.35 0.00 0.00 0.00 179.25 180.46 2crn h TRP 44 N 0.00 0.00 0.08 0.00 7.01 -0.76 -3.30 115.95 118.98 2crn h TRP 44 Ca -0.00 0.00 -0.27 0.00 2.11 0.00 0.00 58.89 60.72 2crn h TRP 44 Cb 0.69 0.00 0.02 0.00 -2.10 0.00 0.00 29.16 27.77 2crn h TRP 44 CO 0.00 0.97 -1.15 -0.07 -2.79 0.00 0.00 178.44 175.39 2crn h LEU 45 N 0.00 0.71 -0.01 0.65 3.38 -0.77 -1.39 115.31 117.88 2crn h LEU 45 Ca -0.20 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 57.13 2crn h LEU 45 Cb 1.91 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.44 2crn h LEU 45 CO 0.09 1.46 0.00 1.41 0.09 0.00 0.00 178.44 181.49 2crn n HIS 46 N -3.74 0.01 -0.02 1.13 8.25 -0.38 0.09 115.22 120.56 2crn n HIS 46 Ca -0.11 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.39 2crn n HIS 46 Cb 0.95 -0.51 -0.09 0.00 1.12 0.00 0.00 29.99 31.46 2crn n HIS 46 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2crn n ASP 47 N -1.51 2.27 -0.09 0.41 9.92 -1.18 -4.67 116.55 121.69 2crn n ASP 47 Ca 0.04 0.00 -0.23 0.00 -0.53 0.00 0.00 54.79 54.06 2crn n ASP 47 Cb 0.17 1.39 -0.12 0.00 -0.64 0.00 0.00 41.12 41.92 2crn n ASP 47 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 2crn n HIS 48 N -2.02 0.55 -0.27 1.24 8.25 -0.53 -4.33 115.22 118.11 2crn n HIS 48 Ca -0.05 0.17 0.25 0.00 -0.26 0.00 0.00 57.72 57.83 2crn n HIS 48 Cb 0.42 -1.06 0.45 0.00 1.12 0.00 0.00 29.99 30.92 2crn n HIS 48 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2crn n ASN 50 N -4.45 6.34 -3.86 0.00 6.94 -1.26 -4.89 115.26 114.08 2crn n ASN 50 Ca 0.28 -3.08 -0.12 0.00 -0.02 0.00 0.00 54.58 51.64 2crn n ASN 50 Cb 1.01 -1.45 -0.13 0.00 -2.36 0.00 0.00 39.78 36.85 2crn n ASN 50 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2crn s ASP 51 N 0.84 -0.03 0.00 0.53 2.15 -0.21 -5.02 116.67 114.93 2crn s ASP 51 Ca 0.47 0.06 0.15 0.00 0.43 0.00 0.00 52.55 53.65 2crn s ASP 51 Cb 0.14 0.12 0.70 0.00 -0.30 0.00 0.00 42.92 43.58 2crn s ASP 51 CO -0.04 -0.06 1.42 -0.81 -0.17 0.00 0.00 175.17 175.51 2crn n PRO 52 N 2.88 0.14 0.03 4.34 -0.04 -1.26 -2.00 135.00 139.09 2crn n PRO 52 Ca -0.13 0.18 0.11 0.00 -0.04 0.00 0.00 63.50 63.62 2crn n PRO 52 Cb 0.59 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.56 2crn n PRO 52 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2crn n SER 53 N -1.35 0.60 -4.12 3.54 7.64 -1.26 -4.60 113.62 114.07 2crn n SER 53 Ca 0.06 -0.16 -0.37 0.00 1.01 0.00 0.00 58.87 59.41 2crn n SER 53 Cb 0.13 0.82 -0.06 0.00 -1.01 0.00 0.00 64.21 64.09 2crn n SER 53 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2crn s LEU 54 N -4.05 5.58 0.06 -3.43 1.43 -0.85 -4.96 118.68 112.45 2crn s LEU 54 Ca 0.03 -3.58 -0.11 0.00 -1.03 0.00 0.00 54.13 49.44 2crn s LEU 54 Cb 0.14 -1.92 -0.02 0.00 0.03 0.00 0.00 46.19 44.41 2crn s LEU 54 CO 0.81 -0.22 0.91 -0.67 0.23 0.00 0.00 176.35 177.41 2crn n ASP 55 N 2.53 -0.38 -3.76 2.29 2.03 -1.26 -4.64 116.55 113.37 2crn n ASP 55 Ca 0.20 1.00 -0.13 0.00 0.52 0.00 0.00 54.79 56.37 2crn n ASP 55 Cb 0.37 -0.26 -0.09 0.00 -0.72 0.00 0.00 41.12 40.42 2crn n ASP 55 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2crn s ASP 56 N -4.17 -0.23 0.04 1.67 1.01 -1.26 -5.07 116.67 108.66 2crn s ASP 56 Ca -0.04 0.21 -0.21 0.00 0.71 0.00 0.00 52.55 53.22 2crn s ASP 56 Cb 0.04 0.39 -0.15 0.00 1.01 0.00 0.00 42.92 44.21 2crn s ASP 56 CO 0.22 -0.39 1.34 1.55 0.21 0.00 0.00 175.17 178.10 2crn h PRO 57 N 4.18 0.34 -6.73 8.23 0.13 -1.93 -3.44 132.00 132.78 2crn h PRO 57 Ca -0.29 -0.18 -0.49 0.00 -0.87 0.00 0.00 66.00 64.17 2crn h PRO 57 Cb 1.18 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 2crn h PRO 57 CO 0.38 0.73 0.25 0.42 -0.23 0.00 0.00 178.00 179.54 2crn s ILE 58 N -4.29 4.34 -0.40 -3.56 -1.09 -1.26 -4.47 121.20 110.47 2crn s ILE 58 Ca -0.14 1.64 0.04 0.00 -2.23 0.00 0.00 60.65 59.96 2crn s ILE 58 Cb 0.05 -3.99 0.11 0.00 -1.58 0.00 0.00 42.46 37.05 2crn s ILE 58 CO 0.75 0.23 0.13 -0.55 -1.23 0.00 0.00 174.94 174.27 2crn s SER 59 N -1.55 4.55 0.00 3.58 0.15 -1.26 -4.91 113.70 114.26 2crn s SER 59 Ca 0.46 -2.45 0.00 0.00 0.70 0.00 0.00 55.95 54.66 2crn s SER 59 Cb -0.19 -1.59 0.00 0.00 -1.71 0.00 0.00 66.02 62.54 2crn s SER 59 CO 0.24 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.96 2crn n GLY 60 N 3.86 0.04 3.69 9.45 0.00 -1.26 -5.08 105.19 115.88 2crn n GLY 60 Ca 0.04 0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 2crn n GLY 60 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2crn s PRO 61 N 0.00 0.66 0.00 1.61 0.04 -1.26 -5.02 135.00 131.02 2crn s PRO 61 Ca 0.00 0.61 0.00 0.00 0.04 0.00 0.00 61.00 61.65 2crn s PRO 61 Cb 0.00 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.78 2crn s PRO 61 CO 0.00 -2.60 0.00 -1.13 0.04 0.00 0.00 177.00 173.31 2crn n SER 62 N -4.10 0.77 -4.56 6.66 3.41 -1.26 -4.97 113.62 109.59 2crn n SER 62 Ca 0.06 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.46 2crn n SER 62 Cb 0.57 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.46 2crn n SER 62 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2crn s SER 63 N -4.67 4.07 0.00 4.04 0.01 -1.26 -5.37 113.70 110.51 2crn s SER 63 Ca 0.00 0.39 0.00 0.00 1.31 0.00 0.00 55.95 57.65 2crn s SER 63 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2crn s SER 63 CO 0.00 -3.55 0.00 0.61 0.41 0.00 0.00 173.24 170.71