#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crn h SER 2 N 0.00 -1.09 -0.85 1.61 0.02 -2.12 0.19 113.55 111.32 2crn h SER 2 Ca 0.00 0.29 0.15 0.00 -0.84 0.00 0.00 61.79 61.39 2crn h SER 2 Cb 0.00 0.65 -0.15 0.00 0.14 0.00 0.00 62.40 63.04 2crn h SER 2 CO 0.00 -0.30 -0.32 -1.28 -1.14 0.00 0.00 176.83 173.79 2crn h SER 3 N -0.01 -1.15 -3.53 3.07 0.87 -2.15 -3.47 113.55 107.19 2crn h SER 3 Ca 0.40 0.27 0.00 0.00 -1.23 0.00 0.00 61.79 61.23 2crn h SER 3 Cb 0.65 0.64 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 2crn h SER 3 CO -0.96 -0.29 0.00 0.61 -0.53 0.00 0.00 176.83 175.66 2crn n GLY 4 N -1.49 3.99 3.84 5.77 0.00 0.67 -5.15 105.19 112.82 2crn n GLY 4 Ca 0.10 -1.47 -0.27 0.00 0.00 0.00 0.00 46.02 44.37 2crn n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2crn s SER 5 N 0.00 4.50 0.12 1.61 0.01 -1.26 -4.74 113.70 113.93 2crn s SER 5 Ca 0.00 -1.27 0.10 0.00 1.31 0.00 0.00 55.95 56.09 2crn s SER 5 Cb 0.00 0.20 -0.04 0.00 0.21 0.00 0.00 66.02 66.39 2crn s SER 5 CO 0.00 -0.91 -0.24 -0.55 0.41 0.00 0.00 173.24 171.95 2crn s SER 6 N -4.11 2.95 -0.07 2.44 0.15 -1.26 -5.12 113.70 108.68 2crn s SER 6 Ca 0.30 -0.72 -0.32 0.00 0.70 0.00 0.00 55.95 55.91 2crn s SER 6 Cb -0.00 -0.18 0.13 0.00 -1.71 0.00 0.00 66.02 64.26 2crn s SER 6 CO 0.18 0.12 1.32 -0.83 1.20 0.00 0.00 173.24 175.23 2crn s GLY 7 N -1.98 -0.40 -0.22 9.45 0.00 -1.26 -5.16 107.32 107.75 2crn s GLY 7 Ca 0.10 0.95 -0.09 0.00 0.00 0.00 0.00 44.72 45.68 2crn s GLY 7 CO 0.05 0.22 0.49 -1.35 0.00 0.00 0.00 173.10 172.51 2crn s SER 8 N -2.82 -0.55 0.89 1.64 1.04 -1.26 -5.16 113.70 107.49 2crn s SER 8 Ca 0.14 1.12 -0.13 0.00 0.48 0.00 0.00 55.95 57.55 2crn s SER 8 Cb 0.04 1.32 0.05 0.00 0.10 0.00 0.00 66.02 67.54 2crn s SER 8 CO -0.04 -0.22 0.66 -1.20 0.98 0.00 0.00 173.24 173.42 2crn n SER 9 N 4.93 -1.12 -4.55 7.02 7.64 -1.26 -4.82 113.62 121.45 2crn n SER 9 Ca -0.15 0.42 -0.35 0.00 1.01 0.00 0.00 58.87 59.79 2crn n SER 9 Cb 0.52 -1.30 -0.04 0.00 -1.01 0.00 0.00 64.21 62.39 2crn n SER 9 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2crn s PRO 10 N -3.76 2.61 0.12 1.43 0.04 -1.26 -4.66 135.00 129.53 2crn s PRO 10 Ca 0.62 0.37 0.00 0.00 0.04 0.00 0.00 61.00 62.03 2crn s PRO 10 Cb -0.24 -4.57 0.00 0.00 0.04 0.00 0.00 34.50 29.73 2crn s PRO 10 CO 0.62 -2.91 0.00 0.45 0.04 0.00 0.00 177.00 175.21 2crn n SER 11 N 13.08 0.75 0.05 6.66 2.88 -1.26 -4.54 113.62 131.24 2crn n SER 11 Ca 0.26 0.19 -0.08 0.00 -1.33 0.00 0.00 58.87 57.91 2crn n SER 11 Cb 0.51 -0.16 0.07 0.00 -0.75 0.00 0.00 64.21 63.88 2crn n SER 11 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2crn h LEU 12 N 0.00 0.45 -0.62 2.46 3.38 -1.98 -3.10 115.31 115.90 2crn h LEU 12 Ca 0.00 -0.26 -0.15 0.00 0.09 0.00 0.00 57.88 57.56 2crn h LEU 12 Cb 0.00 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2crn h LEU 12 CO 0.00 0.95 -0.66 -0.07 0.09 0.00 0.00 178.44 178.76 2crn h LEU 13 N 0.29 0.18 -0.78 1.67 -0.00 -1.91 -3.13 115.31 111.63 2crn h LEU 13 Ca -0.01 -0.11 0.09 0.00 -0.00 0.00 0.00 57.88 57.85 2crn h LEU 13 Cb 1.15 -0.05 -0.11 0.00 -0.00 0.00 0.00 40.66 41.64 2crn h LEU 13 CO 0.11 0.78 -0.52 -0.33 -0.00 0.00 0.00 178.44 178.47 2crn h GLU 14 N 0.11 -0.13 -0.38 1.13 4.39 -1.78 1.95 114.58 119.87 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 1.17 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.85 2crn h GLU 14 CO 0.10 -0.09 -0.38 -1.00 -1.16 0.00 0.00 179.01 176.47 2crn h PRO 15 N -0.14 0.92 0.00 2.33 0.13 -1.71 -0.33 132.00 133.20 2crn h PRO 15 Ca 0.17 -0.48 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2crn h PRO 15 Cb 0.51 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.66 2crn h PRO 15 CO -0.82 1.14 0.00 1.28 -0.23 0.00 0.00 178.00 179.37 2crn n LEU 16 N -4.06 0.56 -0.11 1.56 4.77 -0.42 -2.43 117.00 116.88 2crn n LEU 16 Ca -0.02 0.61 -0.24 0.00 -0.03 0.00 0.00 56.01 56.33 2crn n LEU 16 Cb 0.54 -0.51 -0.11 0.00 -2.33 0.00 0.00 43.42 41.02 2crn n LEU 16 CO 0.48 -0.40 -1.11 0.18 -1.33 0.00 0.00 177.39 175.22 2crn n LEU 17 N -2.09 2.21 0.32 2.23 4.77 0.65 -3.10 117.00 121.99 2crn n LEU 17 Ca 0.03 0.26 0.21 0.00 -0.03 0.00 0.00 56.01 56.48 2crn n LEU 17 Cb 0.27 -0.91 1.05 0.00 -2.33 0.00 0.00 43.42 41.50 2crn n LEU 17 CO 0.21 0.60 1.13 0.00 -1.33 0.00 0.00 177.39 178.00 2crn h ALA 18 N -0.54 1.00 0.00 -1.18 0.00 -1.07 -1.09 119.26 116.37 2crn h ALA 18 Ca -0.55 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.29 2crn h ALA 18 Cb 1.64 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 2crn h ALA 18 CO -0.24 0.00 -0.30 0.52 0.00 0.00 0.00 179.25 179.22 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 0.16 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.82 2crn h MET 19 CO 0.00 0.30 0.00 0.41 1.06 0.00 0.00 176.91 178.68 2crn n GLY 20 N 0.60 1.33 3.76 8.32 0.00 -0.41 -4.94 105.19 113.85 2crn n GLY 20 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.06 3.18 0.00 1.61 0.08 -1.18 -4.98 117.98 115.64 2crn s PHE 21 Ca 0.00 1.39 0.00 0.00 0.12 0.00 0.00 56.93 58.44 2crn s PHE 21 Cb 0.00 -3.61 0.00 0.00 -0.57 0.00 0.00 43.02 38.84 2crn s PHE 21 CO 0.00 -1.71 0.00 -0.35 -0.10 0.00 0.00 175.22 173.06 2crn n PRO 22 N 1.41 0.24 -0.06 0.24 -0.04 -1.26 -4.05 135.00 131.49 2crn n PRO 22 Ca 0.02 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.45 2crn n PRO 22 Cb 0.42 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.87 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 0.00 -1.39 0.52 2.07 -1.96 -2.95 116.25 111.65 2crn h VAL 23 Ca 0.00 -0.89 0.41 0.00 0.82 0.00 0.00 66.70 67.04 2crn h VAL 23 Cb 0.00 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.68 2crn h VAL 23 CO 0.00 0.00 0.96 1.12 0.02 0.00 0.00 177.57 179.67 2crn h HIS 24 N -0.89 0.26 0.08 1.57 -0.00 -1.99 0.84 115.15 115.02 2crn h HIS 24 Ca 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.38 2crn h HIS 24 Cb 0.30 -0.07 0.00 0.00 -0.00 0.00 0.00 27.41 27.64 2crn h HIS 24 CO -0.13 -0.05 -0.04 1.15 -0.00 0.00 0.00 177.93 178.86 2crn h THR 25 N 0.09 0.00 -1.19 6.12 2.02 -1.95 -3.02 112.91 114.97 2crn h THR 25 Ca 0.73 -0.77 0.34 0.00 0.77 0.00 0.00 66.41 67.48 2crn h THR 25 Cb 2.60 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 68.94 2crn h THR 25 CO -0.17 0.00 0.83 0.00 0.37 0.00 0.00 175.52 176.54 2crn h ALA 26 N -1.18 2.87 -0.21 6.16 0.00 -1.08 0.55 119.26 126.37 2crn h ALA 26 Ca -0.01 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 2crn h ALA 26 Cb 0.09 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2crn h ALA 26 CO 0.02 -1.26 -0.58 -0.07 0.00 0.00 0.00 179.25 177.36 2crn h LEU 27 N 0.12 0.77 -0.01 0.00 3.38 -0.98 -2.24 115.31 116.35 2crn h LEU 27 Ca 0.61 -0.43 0.03 0.00 0.09 0.00 0.00 57.88 58.18 2crn h LEU 27 Cb 2.14 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 42.63 2crn h LEU 27 CO -0.12 1.18 -0.15 0.11 0.09 0.00 0.00 178.44 179.54 2crn h LYS 28 N 0.52 -0.24 -0.28 1.13 1.57 0.25 0.97 116.57 120.48 2crn h LYS 28 Ca 0.00 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 2crn h LYS 28 Cb 1.16 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 2crn h LYS 28 CO 0.12 -0.16 0.05 0.00 -0.57 0.00 0.00 179.45 178.89 2crn h ALA 29 N 0.70 0.37 0.36 3.86 0.00 -1.55 -1.91 119.26 121.10 2crn h ALA 29 Ca 0.06 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2crn h ALA 29 Cb 0.32 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2crn h ALA 29 CO -0.16 0.06 -0.43 -0.07 0.00 0.00 0.00 179.25 178.64 2crn h LEU 30 N 0.28 -1.20 -1.70 0.00 3.38 -1.14 0.60 115.31 115.53 2crn h LEU 30 Ca 0.09 0.11 0.10 0.00 0.09 0.00 0.00 57.88 58.26 2crn h LEU 30 Cb 0.33 0.41 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 2crn h LEU 30 CO 0.00 -0.57 0.38 0.00 0.09 0.00 0.00 178.44 178.34 2crn h ALA 31 N -0.50 2.07 -0.70 1.53 0.00 -0.83 0.19 119.26 121.03 2crn h ALA 31 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2crn h ALA 31 Cb 0.76 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2crn h ALA 31 CO -0.11 -0.20 0.00 0.00 0.00 0.00 0.00 179.25 178.94 2crn n ALA 32 N -2.53 -0.08 -0.24 0.00 0.00 -0.69 -4.26 120.51 112.70 2crn n ALA 32 Ca 0.09 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.47 2crn n ALA 32 Cb 0.38 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.82 2crn n ALA 32 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2crn h THR 33 N 0.00 0.10 0.00 0.00 1.35 0.16 -3.45 112.91 111.07 2crn h THR 33 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2crn h THR 33 Cb 0.00 0.10 0.00 0.00 -1.73 0.00 0.00 68.15 66.52 2crn h THR 33 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2crn n GLY 34 N -1.42 0.40 2.23 5.82 0.00 -0.05 -4.79 105.19 107.38 2crn n GLY 34 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 -2.01 0.41 1.61 1.74 0.48 -4.83 116.66 114.06 2crn n ARG 35 Ca 0.00 0.51 -0.18 0.00 -0.77 0.00 0.00 57.85 57.41 2crn n ARG 35 Cb 0.00 -4.96 -0.09 0.00 -1.02 0.00 0.00 32.46 26.39 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 0.00 -0.98 -1.62 5.56 6.56 -1.87 -3.48 116.57 120.75 2crn h LYS 36 Ca -0.22 0.07 0.26 0.00 -1.06 0.00 0.00 60.65 59.69 2crn h LYS 36 Cb 1.00 0.22 -0.15 0.00 -0.57 0.00 0.00 32.23 32.73 2crn h LYS 36 CO 0.28 -0.64 0.76 -0.08 -2.06 0.00 0.00 179.45 177.71 2crn s THR 37 N -5.84 0.00 0.12 -0.16 -1.32 -1.26 -5.04 115.64 102.14 2crn s THR 37 Ca -0.18 -0.13 -0.33 0.00 -1.21 0.00 0.00 61.69 59.85 2crn s THR 37 Cb 0.03 -1.42 -0.11 0.00 -1.51 0.00 0.00 72.50 69.49 2crn s THR 37 CO 0.59 0.00 1.56 0.00 -2.21 0.00 0.00 174.62 174.56 2crn h ALA 38 N 2.00 -0.82 -0.98 11.08 0.00 -1.93 -2.40 119.26 126.21 2crn h ALA 38 Ca -0.19 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 54.77 2crn h ALA 38 Cb 1.19 0.95 -0.12 0.00 0.00 0.00 0.00 17.79 19.81 2crn h ALA 38 CO 0.26 -1.05 -0.55 0.39 0.00 0.00 0.00 179.25 178.29 2crn n GLU 39 N -5.44 -0.40 -0.29 0.00 1.02 -1.26 0.29 120.64 114.55 2crn n GLU 39 Ca -0.06 1.49 0.08 0.00 -0.02 0.00 0.00 57.16 58.65 2crn n GLU 39 Cb 0.38 -2.19 0.20 0.00 -0.02 0.00 0.00 31.44 29.81 2crn n GLU 39 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2crn h GLU 40 N 0.00 0.07 -0.62 3.49 3.07 -1.84 0.34 114.58 119.09 2crn h GLU 40 Ca 0.18 -0.00 0.05 0.00 -0.50 0.00 0.00 59.36 59.09 2crn h GLU 40 Cb 0.43 -0.02 -0.05 0.00 -0.84 0.00 0.00 28.75 28.27 2crn h GLU 40 CO -0.93 0.05 0.35 0.00 -1.40 0.00 0.00 179.01 177.07 2crn h ALA 41 N 1.81 0.82 -0.71 3.43 0.00 0.10 -1.46 119.26 123.24 2crn h ALA 41 Ca 0.47 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.49 2crn h ALA 41 Cb 0.88 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 2crn h ALA 41 CO -0.76 0.03 0.47 -0.07 0.00 0.00 0.00 179.25 178.92 2crn h LEU 42 N 0.66 0.53 -1.00 0.00 -0.00 0.47 0.22 115.31 116.19 2crn h LEU 42 Ca 0.27 0.01 -0.10 0.00 -0.00 0.00 0.00 57.88 58.06 2crn h LEU 42 Cb 0.14 -0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 40.69 2crn h LEU 42 CO -0.16 0.32 -0.39 0.00 -0.00 0.00 0.00 178.44 178.21 2crn h ALA 43 N 1.64 1.16 0.00 1.53 0.00 -0.70 -0.81 119.26 122.08 2crn h ALA 43 Ca 0.33 -0.39 -0.21 0.00 0.00 0.00 0.00 54.91 54.64 2crn h ALA 43 Cb 0.49 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2crn h ALA 43 CO -0.11 0.56 -1.14 2.35 0.00 0.00 0.00 179.25 180.91 2crn h TRP 44 N 0.19 0.00 0.01 0.00 7.01 -0.68 -3.22 115.95 119.26 2crn h TRP 44 Ca 0.02 0.00 -0.24 0.00 2.11 0.00 0.00 58.89 60.78 2crn h TRP 44 Cb 0.77 0.00 0.01 0.00 -2.10 0.00 0.00 29.16 27.84 2crn h TRP 44 CO 0.01 0.89 -1.00 -0.07 -2.79 0.00 0.00 178.44 175.48 2crn h LEU 45 N 0.00 0.64 -1.48 0.65 3.38 -0.50 -0.97 115.31 117.03 2crn h LEU 45 Ca -0.09 -0.52 -0.02 0.00 0.09 0.00 0.00 57.88 57.33 2crn h LEU 45 Cb 1.76 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 42.31 2crn h LEU 45 CO 0.10 1.33 -0.10 0.45 0.09 0.00 0.00 178.44 180.31 2crn h HIS 46 N 0.26 0.00 0.00 1.13 3.86 -1.25 0.60 115.15 119.75 2crn h HIS 46 Ca -0.10 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 58.87 2crn h HIS 46 Cb 1.65 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 30.08 2crn h HIS 46 CO 0.07 0.10 -1.91 -0.25 0.86 0.00 0.00 177.93 176.80 2crn n ASP 47 N -3.27 0.40 -0.08 2.45 9.92 -1.19 -4.35 116.55 120.42 2crn n ASP 47 Ca -0.00 0.18 -0.09 0.00 -0.53 0.00 0.00 54.79 54.35 2crn n ASP 47 Cb 0.33 0.73 -0.04 0.00 -0.64 0.00 0.00 41.12 41.50 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 -2.76 0.74 -0.37 1.24 8.25 -0.37 -4.28 115.22 117.68 2crn n HIS 48 Ca -0.19 0.32 0.31 0.00 -0.26 0.00 0.00 57.72 57.91 2crn n HIS 48 Cb 0.95 -0.79 0.52 0.00 1.12 0.00 0.00 29.99 31.79 2crn n HIS 48 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2crn h ASN 50 N 0.00 -0.77 -2.97 0.00 -0.73 -1.74 -3.42 115.58 105.95 2crn h ASN 50 Ca 0.67 0.20 -0.59 0.00 1.87 0.00 0.00 56.30 58.46 2crn h ASN 50 Cb 2.19 0.45 0.13 0.00 0.27 0.00 0.00 38.32 41.37 2crn h ASN 50 CO -0.34 -0.25 0.10 0.47 -0.37 0.00 0.00 177.43 177.04 2crn n ASP 51 N -5.44 1.01 0.22 1.15 9.92 0.23 -4.86 116.55 118.77 2crn n ASP 51 Ca 0.07 1.02 0.15 0.00 -0.53 0.00 0.00 54.79 55.50 2crn n ASP 51 Cb 0.34 -1.33 0.62 0.00 -0.64 0.00 0.00 41.12 40.12 2crn n ASP 51 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 2crn h PRO 52 N 1.44 0.00 0.00 -0.24 0.13 -1.87 -2.73 132.00 128.73 2crn h PRO 52 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2crn h PRO 52 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 2crn h PRO 52 CO 0.56 0.00 0.00 1.03 -0.23 0.00 0.00 178.00 179.36 2crn h SER 53 N 0.00 0.00 -3.51 1.44 0.87 -1.90 -3.33 113.55 107.12 2crn h SER 53 Ca 0.00 0.00 -0.70 0.00 -1.23 0.00 0.00 61.79 59.86 2crn h SER 53 Cb 0.43 0.00 -0.35 0.00 -0.44 0.00 0.00 62.40 62.04 2crn h SER 53 CO 0.00 0.00 -0.15 -0.76 -0.53 0.00 0.00 176.83 175.39 2crn s LEU 54 N -4.71 5.51 -0.08 2.23 1.43 -1.03 -5.06 118.68 116.98 2crn s LEU 54 Ca 0.02 -3.54 -0.27 0.00 -1.03 0.00 0.00 54.13 49.32 2crn s LEU 54 Cb 0.09 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.38 2crn s LEU 54 CO 0.37 -0.23 0.87 1.51 0.23 0.00 0.00 176.35 179.10 2crn s ASP 55 N 0.06 7.14 0.02 2.29 -4.77 -1.25 -4.89 116.67 115.27 2crn s ASP 55 Ca 0.25 1.39 0.02 0.00 -3.30 0.00 0.00 52.55 50.91 2crn s ASP 55 Cb -0.10 -2.49 -0.02 0.00 -1.09 0.00 0.00 42.92 39.22 2crn s ASP 55 CO -0.11 -0.28 -0.07 -1.81 0.70 0.00 0.00 175.17 173.61 2crn s ASP 56 N 1.00 0.73 0.00 2.11 1.01 -1.26 -5.02 116.67 115.24 2crn s ASP 56 Ca 0.44 -0.37 0.15 0.00 0.71 0.00 0.00 52.55 53.48 2crn s ASP 56 Cb -0.19 -0.00 0.83 0.00 1.01 0.00 0.00 42.92 44.57 2crn s ASP 56 CO 0.20 -0.11 1.37 -0.81 0.21 0.00 0.00 175.17 176.03 2crn n PRO 57 N 2.04 0.34 -1.53 8.23 -0.04 -1.26 -4.78 135.00 138.00 2crn n PRO 57 Ca -0.19 0.08 -0.47 0.00 -0.04 0.00 0.00 63.50 62.88 2crn n PRO 57 Cb 0.56 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.47 2crn n PRO 57 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2crn n ILE 58 N -1.15 0.27 0.15 0.52 5.41 -1.26 -4.86 119.36 118.45 2crn n ILE 58 Ca 0.09 -0.36 -0.09 0.00 1.00 0.00 0.00 62.75 63.40 2crn n ILE 58 Cb 0.09 -2.12 -0.05 0.00 -0.71 0.00 0.00 39.64 36.85 2crn n ILE 58 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 2crn h SER 59 N 13.71 -0.40 -4.46 4.38 0.02 -2.03 -3.47 113.55 121.30 2crn h SER 59 Ca -0.35 -0.05 -0.33 0.00 -0.84 0.00 0.00 61.79 60.22 2crn h SER 59 Cb 1.28 0.10 -0.24 0.00 0.14 0.00 0.00 62.40 63.69 2crn h SER 59 CO 0.99 0.06 -0.75 -0.83 -1.14 0.00 0.00 176.83 175.15 2crn s GLY 60 N -3.01 0.54 -0.17 -3.77 0.00 -1.26 -5.11 107.32 94.54 2crn s GLY 60 Ca -0.09 -0.68 -0.29 0.00 0.00 0.00 0.00 44.72 43.66 2crn s GLY 60 CO 0.28 -0.69 1.58 2.56 0.00 0.00 0.00 173.10 176.82 2crn s PRO 61 N -1.18 3.96 -0.03 2.90 0.04 -1.26 -5.00 135.00 134.43 2crn s PRO 61 Ca -0.04 1.80 0.01 0.00 0.04 0.00 0.00 61.00 62.81 2crn s PRO 61 Cb -0.08 -3.98 0.02 0.00 0.04 0.00 0.00 34.50 30.49 2crn s PRO 61 CO 0.01 -1.09 -0.04 -1.12 0.04 0.00 0.00 177.00 174.80 2crn s SER 62 N 3.67 0.69 0.05 6.66 0.01 -1.26 -5.15 113.70 118.37 2crn s SER 62 Ca 0.70 -0.09 0.03 0.00 1.31 0.00 0.00 55.95 57.90 2crn s SER 62 Cb -0.27 -0.27 -0.03 0.00 0.21 0.00 0.00 66.02 65.67 2crn s SER 62 CO 0.27 -0.03 -0.10 -0.55 0.41 0.00 0.00 173.24 173.25 2crn s SER 63 N 0.61 1.11 0.00 2.44 0.15 -1.26 -5.01 113.70 111.74 2crn s SER 63 Ca -0.07 -0.56 0.00 0.00 0.70 0.00 0.00 55.95 56.02 2crn s SER 63 Cb -0.10 0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.21 2crn s SER 63 CO -0.00 -0.15 0.49 0.61 1.20 0.00 0.00 173.24 175.38