#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crn s SER 2 N 0.00 5.07 -0.16 1.61 0.01 -1.26 -5.12 113.70 113.86 2crn s SER 2 Ca 0.00 -0.70 0.00 0.00 1.31 0.00 0.00 55.95 56.56 2crn s SER 2 Cb 0.00 -0.66 0.03 0.00 0.21 0.00 0.00 66.02 65.60 2crn s SER 2 CO 0.00 -0.57 -0.11 -0.44 0.41 0.00 0.00 173.24 172.53 2crn s SER 3 N -4.09 2.77 1.03 2.44 0.01 -1.26 -5.13 113.70 109.48 2crn s SER 3 Ca 0.46 -0.57 -0.14 0.00 1.31 0.00 0.00 55.95 57.01 2crn s SER 3 Cb -0.04 -1.10 0.18 0.00 0.21 0.00 0.00 66.02 65.27 2crn s SER 3 CO 0.27 -0.10 0.33 0.61 0.41 0.00 0.00 173.24 174.76 2crn n GLY 4 N 4.79 -2.55 0.29 3.44 0.00 -1.26 -4.93 105.19 104.97 2crn n GLY 4 Ca -0.15 -0.85 -0.11 0.00 0.00 0.00 0.00 46.02 44.91 2crn n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2crn h SER 5 N -2.70 -0.59 -1.68 1.61 0.02 -2.08 -3.42 113.55 104.70 2crn h SER 5 Ca -0.26 0.02 -0.63 0.00 -0.84 0.00 0.00 61.79 60.08 2crn h SER 5 Cb 0.81 0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.51 2crn h SER 5 CO 0.17 -0.32 1.32 -1.20 -1.14 0.00 0.00 176.83 175.65 2crn n SER 6 N -4.46 2.93 0.00 3.07 7.64 -1.26 -4.71 113.62 116.83 2crn n SER 6 Ca -0.09 0.57 0.00 0.00 1.01 0.00 0.00 58.87 60.36 2crn n SER 6 Cb 0.28 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.10 2crn n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2crn n GLY 7 N 5.52 3.05 3.64 0.23 0.00 -1.26 -5.14 105.19 111.23 2crn n GLY 7 Ca 0.31 -1.95 -0.10 0.00 0.00 0.00 0.00 46.02 44.28 2crn n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2crn s SER 8 N 0.00 -0.67 0.03 1.61 0.15 -1.26 -5.06 113.70 108.49 2crn s SER 8 Ca 0.00 1.22 0.07 0.00 0.70 0.00 0.00 55.95 57.94 2crn s SER 8 Cb 0.00 1.25 -0.03 0.00 -1.71 0.00 0.00 66.02 65.53 2crn s SER 8 CO 0.00 -0.20 -0.19 -0.94 1.20 0.00 0.00 173.24 173.10 2crn s SER 9 N 0.71 3.70 0.00 5.45 1.04 -1.26 -5.00 113.70 118.34 2crn s SER 9 Ca -0.02 -0.42 0.12 0.00 0.48 0.00 0.00 55.95 56.10 2crn s SER 9 Cb -0.05 -0.58 0.69 0.00 0.10 0.00 0.00 66.02 66.18 2crn s SER 9 CO -0.07 0.27 1.12 -0.81 0.98 0.00 0.00 173.24 174.73 2crn n PRO 10 N 1.71 0.49 0.33 4.02 -0.04 -1.26 -3.67 135.00 136.57 2crn n PRO 10 Ca -0.16 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.12 2crn n PRO 10 Cb 0.52 -1.37 -0.09 0.00 -0.04 0.00 0.00 33.50 32.52 2crn n PRO 10 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2crn h SER 11 N 0.00 -1.00 0.41 3.54 0.02 -2.00 0.50 113.55 115.02 2crn h SER 11 Ca 0.00 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2crn h SER 11 Cb 0.00 0.30 0.00 0.00 0.14 0.00 0.00 62.40 62.84 2crn h SER 11 CO 0.00 -0.59 0.00 0.18 -1.14 0.00 0.00 176.83 175.28 2crn n LEU 12 N -5.52 0.43 0.01 5.07 4.77 -1.24 -1.71 117.00 118.80 2crn n LEU 12 Ca -0.12 0.64 -0.01 0.00 -0.03 0.00 0.00 56.01 56.49 2crn n LEU 12 Cb 0.41 -0.62 -0.10 0.00 -2.33 0.00 0.00 43.42 40.78 2crn n LEU 12 CO 0.33 -0.59 -0.47 0.18 -1.33 0.00 0.00 177.39 175.50 2crn n LEU 13 N -2.01 0.66 -0.31 2.23 7.99 -0.59 -3.98 117.00 120.99 2crn n LEU 13 Ca 0.01 0.29 -0.10 0.00 -0.01 0.00 0.00 56.01 56.20 2crn n LEU 13 Cb 0.14 0.13 -0.07 0.00 -0.11 0.00 0.00 43.42 43.51 2crn n LEU 13 CO 0.14 0.19 0.51 -0.33 -1.51 0.00 0.00 177.39 176.39 2crn h GLU 14 N 0.00 -0.13 -0.38 3.23 4.39 0.84 1.98 114.58 124.50 2crn h GLU 14 Ca -0.21 0.01 -0.16 0.00 0.34 0.00 0.00 59.36 59.34 2crn h GLU 14 Cb 1.65 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 30.32 2crn h GLU 14 CO 0.04 -0.09 -0.39 -1.00 -1.16 0.00 0.00 179.01 176.42 2crn h PRO 15 N -0.14 0.91 0.00 2.33 0.13 -1.77 -0.16 132.00 133.31 2crn h PRO 15 Ca 0.16 -0.48 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 -0.82 1.13 0.00 1.28 -0.23 0.00 0.00 178.00 179.36 2crn n LEU 16 N -4.05 0.53 -0.12 1.56 4.77 -0.43 -2.36 117.00 116.89 2crn n LEU 16 Ca -0.02 0.60 -0.25 0.00 -0.03 0.00 0.00 56.01 56.31 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 -1.16 0.18 -1.33 0.00 0.00 177.39 175.18 2crn n LEU 17 N -2.05 2.18 0.31 2.23 4.77 0.66 -2.94 117.00 122.16 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 -0.90 1.02 0.00 -2.33 0.00 0.00 43.42 41.48 2crn n LEU 17 CO 0.21 0.60 1.11 0.00 -1.33 0.00 0.00 177.39 177.98 2crn h ALA 18 N -0.60 1.00 0.00 -1.18 0.00 -1.05 -1.29 119.26 116.15 2crn h ALA 18 Ca -0.57 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.23 2crn h ALA 18 Cb 1.63 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 2crn h ALA 18 CO -0.27 0.00 -0.49 0.52 0.00 0.00 0.00 179.25 179.01 2crn h MET 19 N 0.00 0.00 0.00 0.00 2.86 -1.65 -3.47 114.93 112.67 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 0.18 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.84 2crn h MET 19 CO 0.00 0.49 0.00 0.41 1.06 0.00 0.00 176.91 178.87 2crn n GLY 20 N 0.83 0.99 3.77 8.32 0.00 -0.48 -5.11 105.19 113.51 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 -0.62 2.83 0.00 1.61 0.08 -1.15 -4.67 117.98 116.07 2crn s PHE 21 Ca 0.00 1.32 0.00 0.00 0.12 0.00 0.00 56.93 58.37 2crn s PHE 21 Cb 0.00 -3.82 0.00 0.00 -0.57 0.00 0.00 43.02 38.63 2crn s PHE 21 CO 0.00 -2.35 0.00 -0.35 -0.10 0.00 0.00 175.22 172.42 2crn n PRO 22 N 0.56 0.23 -0.07 0.24 -0.04 -1.26 -4.04 135.00 130.62 2crn n PRO 22 Ca 0.01 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.38 2crn n PRO 22 Cb 0.41 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.82 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 0.36 -0.99 0.52 2.07 -1.95 -2.88 116.25 112.48 2crn h VAL 23 Ca 0.00 -1.39 0.22 0.00 0.82 0.00 0.00 66.70 66.35 2crn h VAL 23 Cb 0.00 0.80 -0.09 0.00 -1.52 0.00 0.00 31.29 30.48 2crn h VAL 23 CO 0.00 0.12 0.63 1.12 0.02 0.00 0.00 177.57 179.46 2crn h HIS 24 N -1.00 0.82 0.16 1.57 -0.00 -1.99 0.17 115.15 114.87 2crn h HIS 24 Ca -0.08 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.31 2crn h HIS 24 Cb 0.64 -0.24 0.00 0.00 -0.00 0.00 0.00 27.41 27.81 2crn h HIS 24 CO -0.06 0.15 -0.08 1.15 -0.00 0.00 0.00 177.93 179.09 2crn h THR 25 N 0.55 0.72 -0.80 6.12 2.02 -1.95 -2.76 112.91 116.81 2crn h THR 25 Ca 0.56 -1.16 0.19 0.00 0.77 0.00 0.00 66.41 66.77 2crn h THR 25 Cb 1.17 1.24 -0.05 0.00 -1.74 0.00 0.00 68.15 68.77 2crn h THR 25 CO -0.31 0.20 0.54 0.00 0.37 0.00 0.00 175.52 176.32 2crn h ALA 26 N -0.47 2.31 -0.16 6.16 0.00 -1.18 -0.89 119.26 125.03 2crn h ALA 26 Ca -0.02 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2crn h ALA 26 Cb 0.49 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2crn h ALA 26 CO 0.04 -0.55 -0.15 -0.07 0.00 0.00 0.00 179.25 178.52 2crn h LEU 27 N 0.29 0.41 -0.33 0.00 3.38 -0.73 -2.28 115.31 116.04 2crn h LEU 27 Ca 0.40 -0.47 0.07 0.00 0.09 0.00 0.00 57.88 57.96 2crn h LEU 27 Cb 1.12 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.69 2crn h LEU 27 CO -0.11 0.80 -0.08 0.11 0.09 0.00 0.00 178.44 179.25 2crn h LYS 28 N 0.02 0.00 -0.81 1.13 1.57 -0.87 -0.27 116.57 117.34 2crn h LYS 28 Ca 0.03 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 2crn h LYS 28 Cb 0.68 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.95 2crn h LYS 28 CO 0.04 0.00 0.40 0.00 -0.57 0.00 0.00 179.45 179.32 2crn h ALA 29 N 1.33 1.05 0.69 3.86 0.00 -1.48 0.27 119.26 124.98 2crn h ALA 29 Ca 0.16 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2crn h ALA 29 Cb 0.24 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2crn h ALA 29 CO -0.34 0.60 -0.38 -0.07 0.00 0.00 0.00 179.25 179.07 2crn h LEU 30 N 1.15 -0.92 -1.28 0.00 3.38 -0.70 0.22 115.31 117.16 2crn h LEU 30 Ca 0.28 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.23 2crn h LEU 30 Cb 0.10 0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2crn h LEU 30 CO -0.04 -0.61 -0.24 0.00 0.09 0.00 0.00 178.44 177.64 2crn h ALA 31 N -0.72 1.40 -0.06 1.53 0.00 -1.02 0.13 119.26 120.52 2crn h ALA 31 Ca -0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2crn h ALA 31 Cb 0.78 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 2crn h ALA 31 CO 0.12 0.42 -0.01 0.00 0.00 0.00 0.00 179.25 179.79 2crn h ALA 32 N 1.59 0.09 -0.11 0.00 0.00 -0.19 -3.28 119.26 117.36 2crn h ALA 32 Ca 0.03 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 2crn h ALA 32 Cb 0.52 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2crn h ALA 32 CO 0.04 -0.22 -0.11 1.79 0.00 0.00 0.00 179.25 180.75 2crn h THR 33 N -0.20 1.36 0.00 0.00 1.35 -0.45 -3.48 112.91 111.49 2crn h THR 33 Ca 0.02 -1.28 0.00 0.00 -0.55 0.00 0.00 66.41 64.60 2crn h THR 33 Cb 0.38 1.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.77 2crn h THR 33 CO 0.00 0.37 0.00 0.61 -0.25 0.00 0.00 175.52 176.25 2crn n GLY 34 N 0.22 0.90 4.37 5.82 0.00 -0.06 -4.77 105.19 111.68 2crn n GLY 34 Ca -0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.88 0.00 1.61 1.74 0.24 -4.87 116.66 113.51 2crn n ARG 35 Ca 0.00 0.25 0.00 0.00 -0.77 0.00 0.00 57.85 57.33 2crn n ARG 35 Cb 0.00 -4.79 0.00 0.00 -1.02 0.00 0.00 32.46 26.65 2crn n ARG 35 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2crn n LYS 36 N -4.25 0.00 -3.80 5.56 5.02 -1.26 -5.03 118.16 114.40 2crn n LYS 36 Ca 0.05 0.37 -0.10 0.00 -2.02 0.00 0.00 58.31 56.62 2crn n LYS 36 Cb 0.49 -0.91 -0.07 0.00 -0.02 0.00 0.00 35.03 34.52 2crn n LYS 36 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2crn s THR 37 N -0.89 0.11 0.34 -0.18 -1.32 -1.26 -5.04 115.64 107.41 2crn s THR 37 Ca 0.00 -0.95 0.10 0.00 -1.21 0.00 0.00 61.69 59.63 2crn s THR 37 Cb 0.00 -1.17 0.33 0.00 -1.51 0.00 0.00 72.50 70.15 2crn s THR 37 CO 0.00 -0.52 1.81 0.00 -2.21 0.00 0.00 174.62 173.70 2crn h ALA 38 N 2.90 1.85 0.35 11.08 0.00 -1.96 -1.82 119.26 131.66 2crn h ALA 38 Ca -0.33 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 2crn h ALA 38 Cb 1.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2crn h ALA 38 CO 0.52 -0.18 -0.17 1.49 0.00 0.00 0.00 179.25 180.91 2crn h GLU 39 N 0.67 -0.45 -0.99 0.00 4.57 -1.98 -2.85 114.58 113.54 2crn h GLU 39 Ca 0.53 0.03 0.35 0.00 -1.18 0.00 0.00 59.36 59.09 2crn h GLU 39 Cb 0.95 0.10 -0.18 0.00 -0.16 0.00 0.00 28.75 29.46 2crn h GLU 39 CO -0.29 -0.24 0.33 0.93 -1.18 0.00 0.00 179.01 178.55 2crn h GLU 40 N -0.57 0.03 -0.98 1.92 4.39 -1.74 1.30 114.58 118.94 2crn h GLU 40 Ca -0.05 -0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.67 2crn h GLU 40 Cb 0.42 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.01 2crn h GLU 40 CO 0.08 0.02 0.65 0.00 -1.16 0.00 0.00 179.01 178.59 2crn h ALA 41 N 1.98 1.32 -0.56 3.43 0.00 -1.43 -1.96 119.26 122.03 2crn h ALA 41 Ca 0.73 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.54 2crn h ALA 41 Cb 1.77 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 2crn h ALA 41 CO -0.82 0.63 0.18 -0.07 0.00 0.00 0.00 179.25 179.17 2crn h LEU 42 N 1.31 0.77 -1.33 0.00 -0.00 0.17 0.13 115.31 116.35 2crn h LEU 42 Ca 0.37 -0.12 -0.05 0.00 -0.00 0.00 0.00 57.88 58.08 2crn h LEU 42 Cb -0.12 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 40.33 2crn h LEU 42 CO -0.09 0.72 -0.23 0.00 -0.00 0.00 0.00 178.44 178.85 2crn h ALA 43 N 1.38 1.11 0.00 1.53 0.00 -0.86 -1.28 119.26 121.14 2crn h ALA 43 Ca 0.19 -0.21 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 2crn h ALA 43 Cb 0.23 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2crn h ALA 43 CO -0.01 0.29 -1.52 1.87 0.00 0.00 0.00 179.25 179.87 2crn n TRP 44 N -3.52 0.93 0.09 0.00 -0.00 -0.73 -3.68 117.44 110.54 2crn n TRP 44 Ca -0.01 0.32 -0.15 0.00 -0.00 0.00 0.00 57.50 57.66 2crn n TRP 44 Cb 0.39 -1.10 -0.11 0.00 -0.00 0.00 0.00 31.31 30.49 2crn n TRP 44 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 2crn h LEU 45 N 0.00 0.44 -0.43 5.87 3.38 -0.56 -1.80 115.31 122.21 2crn h LEU 45 Ca -0.20 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.34 2crn h LEU 45 Cb 1.69 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.30 2crn h LEU 45 CO 0.05 1.30 0.00 0.45 0.09 0.00 0.00 178.44 180.33 2crn h HIS 46 N 0.11 0.00 0.00 1.13 3.86 -1.39 0.37 115.15 119.23 2crn h HIS 46 Ca -0.11 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 58.82 2crn h HIS 46 Cb 1.85 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 30.27 2crn h HIS 46 CO 0.06 0.00 -2.25 -0.25 0.86 0.00 0.00 177.93 176.35 2crn n ASP 47 N -2.33 0.05 -0.10 2.45 9.92 -1.20 -4.52 116.55 120.81 2crn n ASP 47 Ca 0.04 0.02 -0.24 0.00 -0.53 0.00 0.00 54.79 54.08 2crn n ASP 47 Cb 0.33 1.19 -0.11 0.00 -0.64 0.00 0.00 41.12 41.88 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 -2.64 0.63 -0.26 1.24 8.25 -0.68 -4.32 115.22 117.44 2crn n HIS 48 Ca -0.25 0.24 0.25 0.00 -0.26 0.00 0.00 57.72 57.70 2crn n HIS 48 Cb 1.01 -1.07 0.47 0.00 1.12 0.00 0.00 29.99 31.51 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 -4.84 -0.28 -4.75 0.00 6.94 -1.26 -4.42 115.26 106.65 2crn n ASN 50 Ca 0.30 1.70 -0.41 0.00 -0.02 0.00 0.00 54.58 56.15 2crn n ASN 50 Cb 1.03 -0.55 0.01 0.00 -2.36 0.00 0.00 39.78 37.90 2crn n ASN 50 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 2crn n ASP 51 N -5.57 3.33 0.10 0.53 2.03 0.17 -4.91 116.55 112.22 2crn n ASP 51 Ca 0.18 1.18 -0.02 0.00 0.52 0.00 0.00 54.79 56.65 2crn n ASP 51 Cb 0.58 -1.58 0.20 0.00 -0.72 0.00 0.00 41.12 39.61 2crn n ASP 51 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2crn h PRO 52 N 2.57 0.22 0.00 -0.67 0.13 -1.87 -2.84 132.00 129.54 2crn h PRO 52 Ca -0.50 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 2crn h PRO 52 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2crn h PRO 52 CO 0.62 0.64 0.05 0.43 -0.23 0.00 0.00 178.00 179.51 2crn n SER 53 N -3.98 0.36 -3.99 1.44 7.64 -1.26 -3.45 113.62 110.38 2crn n SER 53 Ca -0.02 0.64 -0.31 0.00 1.01 0.00 0.00 58.87 60.19 2crn n SER 53 Cb 0.51 -0.68 -0.10 0.00 -1.01 0.00 0.00 64.21 62.93 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 -3.97 5.02 0.70 -3.43 1.43 -1.07 -5.09 118.68 112.27 2crn s LEU 54 Ca -0.02 -3.62 -0.11 0.00 -1.03 0.00 0.00 54.13 49.35 2crn s LEU 54 Cb 0.04 -1.74 0.02 0.00 0.03 0.00 0.00 46.19 44.54 2crn s LEU 54 CO 0.13 -0.16 1.08 -1.81 0.23 0.00 0.00 176.35 175.82 2crn s ASP 55 N -0.73 5.42 0.02 2.29 1.01 -1.22 -4.78 116.67 118.67 2crn s ASP 55 Ca 0.24 1.08 0.00 0.00 0.71 0.00 0.00 52.55 54.58 2crn s ASP 55 Cb -0.09 -1.88 -0.02 0.00 1.01 0.00 0.00 42.92 41.94 2crn s ASP 55 CO -0.12 -1.34 -0.03 -1.81 0.21 0.00 0.00 175.17 172.08 2crn s ASP 56 N -4.37 0.29 0.04 0.27 1.01 -1.26 -5.02 116.67 107.64 2crn s ASP 56 Ca 0.58 -0.42 0.16 0.00 0.71 0.00 0.00 52.55 53.57 2crn s ASP 56 Cb -0.11 0.07 0.67 0.00 1.01 0.00 0.00 42.92 44.56 2crn s ASP 56 CO 0.51 -0.24 1.50 -0.81 0.21 0.00 0.00 175.17 176.34 2crn n PRO 57 N 1.83 0.03 -2.88 8.23 -0.04 -1.26 -4.76 135.00 136.15 2crn n PRO 57 Ca -0.22 0.28 -0.34 0.00 -0.04 0.00 0.00 63.50 63.19 2crn n PRO 57 Cb 0.56 -1.56 -0.07 0.00 -0.04 0.00 0.00 33.50 32.39 2crn n PRO 57 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2crn s ILE 58 N -3.05 4.42 -0.16 0.52 1.01 -1.26 -5.00 121.20 117.67 2crn s ILE 58 Ca 0.06 1.45 -0.07 0.00 0.00 0.00 0.00 60.65 62.09 2crn s ILE 58 Cb 0.09 -3.68 -0.07 0.00 0.01 0.00 0.00 42.46 38.81 2crn s ILE 58 CO 0.28 -0.20 -0.20 -1.20 0.00 0.00 0.00 174.94 173.62 2crn n SER 59 N -0.34 1.30 0.00 3.58 7.64 -1.26 -5.12 113.62 119.41 2crn n SER 59 Ca 0.05 0.17 0.00 0.00 1.01 0.00 0.00 58.87 60.10 2crn n SER 59 Cb 0.53 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 2crn n SER 59 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2crn n GLY 60 N 2.07 -1.40 0.21 0.23 0.00 -1.26 -4.18 105.19 100.86 2crn n GLY 60 Ca -0.31 -1.38 -0.05 0.00 0.00 0.00 0.00 46.02 44.28 2crn n GLY 60 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2crn h PRO 61 N 0.00 0.40 -6.25 1.61 0.13 -2.07 -3.44 132.00 122.37 2crn h PRO 61 Ca 0.00 -0.21 -0.49 0.00 -0.87 0.00 0.00 66.00 64.43 2crn h PRO 61 Cb 0.00 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.13 2crn h PRO 61 CO 0.00 0.77 -0.36 0.45 -0.23 0.00 0.00 178.00 178.63 2crn s SER 62 N -6.87 6.33 0.11 1.44 0.15 -1.26 -5.03 113.70 108.57 2crn s SER 62 Ca -0.06 0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.84 2crn s SER 62 Cb 0.13 -1.94 0.00 0.00 -1.71 0.00 0.00 66.02 62.49 2crn s SER 62 CO 0.80 -0.10 0.00 -0.24 1.20 0.00 0.00 173.24 174.91 2crn n SER 63 N -1.19 0.30 0.00 5.45 2.88 -1.26 -4.85 113.62 114.95 2crn n SER 63 Ca -0.07 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 2crn n SER 63 Cb 0.56 0.01 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 2crn n SER 63 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42