#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pcc h GLU -4 N 0.00 1.02 -6.43 -0.78 -0.00 -2.03 -3.38 114.58 102.98 2pcc h GLU -4 Ca 0.00 -0.10 -0.53 0.00 -0.00 0.00 0.00 59.36 58.73 2pcc h GLU -4 Cb 0.00 -0.21 -0.03 0.00 -0.00 0.00 0.00 28.75 28.52 2pcc h GLU -4 CO 0.00 0.73 0.32 -0.59 -0.00 0.00 0.00 179.01 179.47 2pcc s PHE -3 N -5.71 3.72 0.00 2.06 -0.71 -1.26 -5.05 117.98 111.03 2pcc s PHE -3 Ca -0.11 1.67 0.00 0.00 -1.04 0.00 0.00 56.93 57.45 2pcc s PHE -3 Cb 0.17 -3.03 0.00 0.00 -1.21 0.00 0.00 43.02 38.95 2pcc s PHE -3 CO 0.80 0.12 0.00 1.17 -1.34 0.00 0.00 175.22 175.97 2pcc n LYS -2 N 3.30 0.00 0.00 1.99 0.00 -1.26 -5.10 118.16 117.09 2pcc n LYS -2 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.34 2pcc n LYS -2 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.53 2pcc n LYS -2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2pcc n ALA -1 N -3.00 0.00 -3.00 3.14 0.00 -1.26 -4.52 120.51 111.87 2pcc n ALA -1 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2pcc n ALA -1 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2pcc n ALA -1 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pcc n GLY 1 N 0.00 5.88 3.71 0.00 0.00 -1.26 -4.97 105.19 108.55 2pcc n GLY 1 Ca 0.00 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 2pcc n GLY 1 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2pcc s SER 2 N 1.00 6.97 0.00 1.61 0.15 -1.26 -4.83 113.70 117.34 2pcc s SER 2 Ca 0.00 2.11 0.26 0.00 0.70 0.00 0.00 55.95 59.02 2pcc s SER 2 Cb 0.00 -2.58 0.67 0.00 -1.71 0.00 0.00 66.02 62.41 2pcc s SER 2 CO 0.00 -0.56 1.53 0.00 1.20 0.00 0.00 173.24 175.41 2pcc n ALA 3 N 4.16 2.56 -0.06 5.45 0.00 -1.26 -2.32 120.51 129.03 2pcc n ALA 3 Ca 0.10 -0.55 -0.20 0.00 0.00 0.00 0.00 53.44 52.80 2pcc n ALA 3 Cb 0.45 -1.01 -0.13 0.00 0.00 0.00 0.00 19.45 18.75 2pcc n ALA 3 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2pcc n LYS 4 N 0.63 0.71 0.00 0.00 4.01 -1.26 -3.57 118.16 118.67 2pcc n LYS 4 Ca 0.17 0.21 0.00 0.00 -0.51 0.00 0.00 58.31 58.18 2pcc n LYS 4 Cb 0.46 -1.62 0.00 0.00 -0.51 0.00 0.00 35.03 33.35 2pcc n LYS 4 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 2pcc n LYS 5 N -3.38 0.00 -0.12 1.97 3.00 -1.25 -2.61 118.16 115.76 2pcc n LYS 5 Ca -0.38 0.30 0.12 0.00 -0.00 0.00 0.00 58.31 58.34 2pcc n LYS 5 Cb 1.02 -1.14 0.22 0.00 0.00 0.00 0.00 35.03 35.12 2pcc n LYS 5 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2pcc n GLY 6 N 0.12 -0.30 0.09 3.14 0.00 -0.98 0.16 105.19 107.42 2pcc n GLY 6 Ca 0.00 0.31 -0.10 0.00 0.00 0.00 0.00 46.02 46.23 2pcc n GLY 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pcc h ALA 7 N 0.76 0.20 0.00 4.61 0.00 -1.58 -0.90 119.26 122.35 2pcc h ALA 7 Ca 0.32 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.11 2pcc h ALA 7 Cb 0.83 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2pcc h ALA 7 CO -0.30 -0.32 -0.49 1.79 0.00 0.00 0.00 179.25 179.92 2pcc h THR 8 N 0.21 1.13 -0.17 0.00 1.35 0.18 -0.10 112.91 115.51 2pcc h THR 8 Ca 0.06 -1.84 -0.10 0.00 -0.55 0.00 0.00 66.41 63.97 2pcc h THR 8 Cb -0.02 2.06 -0.01 0.00 -1.73 0.00 0.00 68.15 68.45 2pcc h THR 8 CO -0.02 0.49 -0.35 0.25 -0.25 0.00 0.00 175.52 175.64 2pcc h LEU 9 N 0.00 0.36 0.09 3.87 5.85 -1.24 0.41 115.31 124.65 2pcc h LEU 9 Ca -0.00 -0.14 -0.14 0.00 0.84 0.00 0.00 57.88 58.44 2pcc h LEU 9 Cb 1.02 -0.10 0.01 0.00 0.37 0.00 0.00 40.66 41.96 2pcc h LEU 9 CO 0.06 0.68 -0.63 0.15 -0.34 0.00 0.00 178.44 178.37 2pcc h PHE 10 N 0.30 0.36 -0.37 1.25 3.04 -1.02 0.19 116.94 120.69 2pcc h PHE 10 Ca 0.04 -0.26 -0.01 0.00 3.98 0.00 0.00 57.97 61.71 2pcc h PHE 10 Cb 0.76 -0.01 -0.02 0.00 2.56 0.00 0.00 35.95 39.23 2pcc h PHE 10 CO 0.02 1.24 0.21 1.57 -2.02 0.00 0.00 178.31 179.33 2pcc h LYS 11 N -0.57 0.52 -0.27 1.11 -0.00 -0.93 0.36 116.57 116.79 2pcc h LYS 11 Ca -0.12 -0.06 -0.14 0.00 -0.00 0.00 0.00 60.65 60.33 2pcc h LYS 11 Cb 1.45 -0.10 -0.00 0.00 -0.00 0.00 0.00 32.23 33.58 2pcc h LYS 11 CO 0.09 0.43 -0.37 1.79 -0.00 0.00 0.00 179.45 181.39 2pcc h THR 12 N 0.48 1.30 -0.05 0.07 1.35 -0.26 -3.33 112.91 112.48 2pcc h THR 12 Ca 0.13 -1.56 0.00 0.00 -0.55 0.00 0.00 66.41 64.43 2pcc h THR 12 Cb 0.06 1.65 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 2pcc h THR 12 CO -0.02 0.50 0.00 0.54 -0.25 0.00 0.00 175.52 176.29 2pcc n ARG 13 N -4.20 1.06 0.00 4.72 1.74 0.65 -4.82 116.66 115.83 2pcc n ARG 13 Ca -0.04 -1.39 0.00 0.00 -0.77 0.00 0.00 57.85 55.65 2pcc n ARG 13 Cb 0.52 -1.27 0.00 0.00 -1.02 0.00 0.00 32.46 30.69 2pcc n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2pcc h LEU 15 N 0.00 0.64 -1.25 0.00 5.85 -1.23 0.17 115.31 119.49 2pcc h LEU 15 Ca 0.00 -0.04 0.28 0.00 0.84 0.00 0.00 57.88 58.96 2pcc h LEU 15 Cb 0.01 -0.16 -0.11 0.00 0.37 0.00 0.00 40.66 40.77 2pcc h LEU 15 CO 0.00 0.50 0.66 0.06 -0.34 0.00 0.00 178.44 179.32 2pcc h GLN 16 N 0.73 0.39 -0.00 1.25 -0.00 -1.85 -2.47 115.11 113.15 2pcc h GLN 16 Ca 0.20 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.82 2pcc h GLN 16 Cb -0.04 -0.09 0.00 0.00 -0.00 0.00 0.00 27.48 27.35 2pcc h GLN 16 CO -0.04 0.26 -0.45 0.00 -0.00 0.00 0.00 178.83 178.59 2pcc s HIS 18 N -1.95 -0.05 0.27 0.00 3.76 0.48 -1.15 115.29 116.65 2pcc s HIS 18 Ca 0.07 0.13 0.07 0.00 -0.15 0.00 0.00 55.06 55.18 2pcc s HIS 18 Cb 0.10 -0.00 -0.03 0.00 1.11 0.00 0.00 32.58 33.76 2pcc s HIS 18 CO 0.44 -0.16 0.22 0.95 -0.85 0.00 0.00 174.74 175.33 2pcc s THR 19 N -0.58 4.24 0.00 1.30 -4.23 -1.26 -4.30 115.64 110.80 2pcc s THR 19 Ca -0.07 -1.39 0.00 0.00 -1.18 0.00 0.00 61.69 59.05 2pcc s THR 19 Cb -0.04 -3.36 0.00 0.00 1.34 0.00 0.00 72.50 70.44 2pcc s THR 19 CO 0.01 -0.31 0.00 1.33 -0.54 0.00 0.00 174.62 175.11 2pcc n VAL 20 N -1.23 0.00 -1.11 2.29 0.24 -1.26 -0.70 118.33 116.56 2pcc n VAL 20 Ca -0.06 0.00 -0.34 0.00 -2.04 0.00 0.00 64.34 61.90 2pcc n VAL 20 Cb 0.58 -0.52 0.12 0.00 -1.47 0.00 0.00 33.84 32.55 2pcc n VAL 20 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 2pcc n GLU 21 N -1.67 0.17 -2.23 7.34 0.00 -1.26 -3.70 120.64 119.29 2pcc n GLU 21 Ca 0.00 0.12 -0.40 0.00 0.00 0.00 0.00 57.16 56.89 2pcc n GLU 21 Cb 0.32 -2.26 -0.02 0.00 0.00 0.00 0.00 31.44 29.48 2pcc n GLU 21 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 2pcc s LYS 22 N -3.79 4.28 0.00 3.44 2.47 -1.26 -1.87 119.74 123.01 2pcc s LYS 22 Ca 0.70 2.02 0.00 0.00 -1.56 0.00 0.00 55.97 57.13 2pcc s LYS 22 Cb -0.30 -2.95 0.00 0.00 -1.46 0.00 0.00 37.83 33.13 2pcc s LYS 22 CO 0.54 -0.18 0.00 0.41 0.16 0.00 0.00 175.35 176.28 2pcc n GLY 23 N 0.82 2.18 1.21 5.54 0.00 -1.26 -4.92 105.19 108.76 2pcc n GLY 23 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 2pcc n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pcc n GLY 24 N -0.58 -1.00 3.76 -0.02 0.00 -0.78 -4.83 105.19 101.72 2pcc n GLY 24 Ca 0.00 -0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2pcc n GLY 24 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2pcc s PRO 25 N -0.37 4.74 0.79 1.61 0.04 -1.26 -4.76 135.00 135.80 2pcc s PRO 25 Ca 0.22 1.37 -0.12 0.00 0.04 0.00 0.00 61.00 62.51 2pcc s PRO 25 Cb -0.24 -3.29 0.07 0.00 0.04 0.00 0.00 34.50 31.09 2pcc s PRO 25 CO 0.23 0.49 1.12 -1.01 0.04 0.00 0.00 177.00 177.88 2pcc s HIS 26 N -1.00 2.24 0.00 0.56 3.76 -1.26 -4.48 115.29 115.11 2pcc s HIS 26 Ca 0.40 1.63 0.00 0.00 -0.15 0.00 0.00 55.06 56.94 2pcc s HIS 26 Cb -0.25 -3.20 0.00 0.00 1.11 0.00 0.00 32.58 30.24 2pcc s HIS 26 CO 0.30 -2.17 0.00 1.63 -0.85 0.00 0.00 174.74 173.65 2pcc n LYS 27 N -3.45 0.00 0.07 1.40 5.02 -1.26 -4.94 118.16 114.99 2pcc n LYS 27 Ca 0.11 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.28 2pcc n LYS 27 Cb 0.52 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.50 2pcc n LYS 27 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2pcc h VAL 28 N 0.00 1.43 -2.44 -0.18 2.07 -1.79 -3.45 116.25 111.88 2pcc h VAL 28 Ca 0.00 -2.48 -0.54 0.00 0.82 0.00 0.00 66.70 64.50 2pcc h VAL 28 Cb 0.00 2.41 -0.06 0.00 -1.52 0.00 0.00 31.29 32.12 2pcc h VAL 28 CO 0.00 0.73 -0.55 -0.83 0.02 0.00 0.00 177.57 176.94 2pcc s GLY 29 N -4.44 1.56 0.74 2.17 0.00 -0.30 -5.07 107.32 101.98 2pcc s GLY 29 Ca -0.05 -1.33 -0.12 0.00 0.00 0.00 0.00 44.72 43.22 2pcc s GLY 29 CO 0.85 -1.36 1.10 -4.14 0.00 0.00 0.00 173.10 169.55 2pcc s PRO 30 N -3.48 2.40 0.17 2.90 0.02 -1.26 -4.59 135.00 131.16 2pcc s PRO 30 Ca 0.32 1.24 -0.30 0.00 0.02 0.00 0.00 61.00 62.28 2pcc s PRO 30 Cb -0.09 -1.91 -0.08 0.00 0.02 0.00 0.00 34.50 32.44 2pcc s PRO 30 CO 0.24 -1.54 1.34 1.21 -0.33 0.00 0.00 177.00 177.92 2pcc s ASN 31 N -3.13 6.87 0.00 2.53 3.84 -1.26 -4.26 114.94 119.53 2pcc s ASN 31 Ca 0.63 2.37 0.20 0.00 0.21 0.00 0.00 52.86 56.27 2pcc s ASN 31 Cb -0.18 -2.60 0.54 0.00 -0.55 0.00 0.00 41.25 38.45 2pcc s ASN 31 CO 0.52 -0.57 1.44 0.18 -2.79 0.00 0.00 177.10 175.87 2pcc n LEU 32 N 3.11 2.69 -4.72 3.21 4.77 0.12 -4.91 117.00 121.27 2pcc n LEU 32 Ca 0.08 -1.23 -0.42 0.00 -0.03 0.00 0.00 56.01 54.41 2pcc n LEU 32 Cb 0.43 -0.25 -0.03 0.00 -2.33 0.00 0.00 43.42 41.23 2pcc n LEU 32 CO 0.58 0.62 1.02 -2.28 -1.33 0.00 0.00 177.39 175.99 2pcc s HIS 33 N -1.50 3.29 -1.07 -1.77 2.46 -1.24 -2.20 115.29 113.26 2pcc s HIS 33 Ca 0.36 1.05 -0.06 0.00 0.47 0.00 0.00 55.06 56.87 2pcc s HIS 33 Cb 0.19 -3.62 0.01 0.00 -0.13 0.00 0.00 32.58 29.03 2pcc s HIS 33 CO 0.27 -2.10 0.92 0.41 -2.47 0.00 0.00 174.74 171.77 2pcc n GLY 34 N 3.39 -0.25 0.35 1.59 0.00 -0.38 -4.96 105.19 104.93 2pcc n GLY 34 Ca 0.11 0.06 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 2pcc n GLY 34 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2pcc h ILE 35 N -2.04 0.00 -2.13 -0.61 6.09 -1.59 -3.38 117.51 113.84 2pcc h ILE 35 Ca -0.46 -0.14 -0.60 0.00 -1.37 0.00 0.00 64.86 62.29 2pcc h ILE 35 Cb 1.29 0.00 0.03 0.00 0.47 0.00 0.00 36.82 38.61 2pcc h ILE 35 CO 0.44 0.00 1.07 0.49 -3.07 0.00 0.00 178.15 177.08 2pcc n PHE 36 N -4.71 2.36 0.00 2.19 3.72 -1.26 -1.01 117.46 118.75 2pcc n PHE 36 Ca -0.11 -0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 2pcc n PHE 36 Cb 0.34 -2.67 0.00 0.00 -0.94 0.00 0.00 39.48 36.21 2pcc n PHE 36 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2pcc n GLY 37 N 4.27 1.92 3.98 1.37 0.00 -0.35 -4.99 105.19 111.40 2pcc n GLY 37 Ca 0.21 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.03 2pcc n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2pcc s ARG 38 N -0.87 3.18 0.18 1.61 3.52 -0.18 -4.79 118.95 121.60 2pcc s ARG 38 Ca 0.00 -0.85 -0.15 0.00 -0.13 0.00 0.00 55.73 54.60 2pcc s ARG 38 Cb 0.00 -2.78 -0.07 0.00 -1.56 0.00 0.00 34.95 30.54 2pcc s ARG 38 CO 0.00 0.07 0.60 -1.01 -0.81 0.00 0.00 175.30 174.15 2pcc s HIS 39 N -2.22 3.59 0.02 5.12 3.76 -1.26 0.12 115.29 124.43 2pcc s HIS 39 Ca 0.44 1.14 -0.30 0.00 -0.15 0.00 0.00 55.06 56.19 2pcc s HIS 39 Cb -0.10 -2.43 -0.08 0.00 1.11 0.00 0.00 32.58 31.08 2pcc s HIS 39 CO 0.32 0.38 1.82 -1.54 -0.85 0.00 0.00 174.74 174.87 2pcc s SER 40 N -1.76 6.53 0.00 1.40 1.04 0.14 -2.81 113.70 118.24 2pcc s SER 40 Ca 0.40 2.52 0.00 0.00 0.48 0.00 0.00 55.95 59.35 2pcc s SER 40 Cb -0.15 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.43 2pcc s SER 40 CO 0.20 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 174.04 2pcc n GLY 41 N 4.33 1.16 0.08 7.32 0.00 -1.26 -4.31 105.19 112.51 2pcc n GLY 41 Ca 0.18 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.27 2pcc n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2pcc n GLN 42 N -1.38 0.63 -1.32 1.61 1.13 -1.12 -4.85 117.38 112.08 2pcc n GLN 42 Ca 0.00 0.07 -0.43 0.00 -1.94 0.00 0.00 57.00 54.70 2pcc n GLN 42 Cb 0.00 -1.73 -0.01 0.00 0.11 0.00 0.00 30.24 28.61 2pcc n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2pcc n ALA 43 N -2.29 -2.93 -2.42 -1.58 0.00 -1.26 -4.86 120.51 105.16 2pcc n ALA 43 Ca -0.06 0.15 -0.34 0.00 0.00 0.00 0.00 53.44 53.19 2pcc n ALA 43 Cb 0.67 -1.50 -0.06 0.00 0.00 0.00 0.00 19.45 18.57 2pcc n ALA 43 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2pcc s GLU 44 N -1.02 3.87 -1.40 0.00 -1.05 -1.26 -4.31 118.70 113.54 2pcc s GLU 44 Ca 0.60 0.35 -0.05 0.00 -0.15 0.00 0.00 54.97 55.72 2pcc s GLU 44 Cb -0.67 -2.86 0.03 0.00 -0.44 0.00 0.00 34.13 30.20 2pcc s GLU 44 CO 0.62 0.44 0.79 0.41 0.95 0.00 0.00 175.26 178.47 2pcc n GLY 45 N 0.52 -0.36 2.91 -3.83 0.00 -1.26 -5.00 105.19 98.17 2pcc n GLY 45 Ca -0.04 0.15 -0.18 0.00 0.00 0.00 0.00 46.02 45.96 2pcc n GLY 45 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2pcc s TYR 46 N -3.55 0.55 -0.31 1.61 5.04 -1.26 -4.96 117.35 114.47 2pcc s TYR 46 Ca 0.25 -0.11 -0.14 0.00 -2.44 0.00 0.00 57.07 54.63 2pcc s TYR 46 Cb -0.12 -0.46 -0.03 0.00 0.35 0.00 0.00 41.96 41.70 2pcc s TYR 46 CO 0.82 -0.09 0.30 0.45 -1.34 0.00 0.00 175.55 175.69 2pcc s SER 47 N 0.45 6.14 -0.08 4.32 0.15 -1.26 -4.98 113.70 118.44 2pcc s SER 47 Ca -0.05 -0.10 -0.05 0.00 0.70 0.00 0.00 55.95 56.45 2pcc s SER 47 Cb -0.09 -2.17 -0.04 0.00 -1.71 0.00 0.00 66.02 62.01 2pcc s SER 47 CO -0.00 -0.22 0.12 -0.31 1.20 0.00 0.00 173.24 174.03 2pcc s TYR 48 N 1.92 3.50 0.51 3.44 1.51 -1.26 -5.08 117.35 121.89 2pcc s TYR 48 Ca 0.10 0.42 -0.23 0.00 -1.01 0.00 0.00 57.07 56.36 2pcc s TYR 48 Cb -0.16 -1.88 -0.07 0.00 -0.11 0.00 0.00 41.96 39.74 2pcc s TYR 48 CO 0.11 0.67 1.25 0.25 -1.11 0.00 0.00 175.55 176.72 2pcc n THR 49 N 1.75 3.34 -0.10 -0.71 -2.24 -1.26 -4.79 114.28 110.27 2pcc n THR 49 Ca -0.18 -0.50 0.26 0.00 -2.27 0.00 0.00 64.05 61.36 2pcc n THR 49 Cb 0.54 -1.53 0.72 0.00 -2.10 0.00 0.00 70.33 67.96 2pcc n THR 49 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2pcc h ASP 50 N 1.50 0.00 -0.42 3.42 3.32 -1.98 0.15 116.42 122.41 2pcc h ASP 50 Ca -0.49 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.49 2pcc h ASP 50 Cb 1.31 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.84 2pcc h ASP 50 CO 0.57 0.00 0.04 0.00 -1.72 0.00 0.00 179.24 178.13 2pcc h ALA 51 N 1.53 1.15 -0.00 3.45 0.00 -1.88 0.29 119.26 123.79 2pcc h ALA 51 Ca 0.35 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 2pcc h ALA 51 Cb 1.52 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 2pcc h ALA 51 CO -0.00 0.56 -0.75 -0.97 0.00 0.00 0.00 179.25 178.09 2pcc h ASN 52 N 0.75 0.00 0.02 0.00 -0.73 -1.03 -3.17 115.58 111.43 2pcc h ASN 52 Ca 0.15 -0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.28 2pcc h ASN 52 Cb 0.40 -0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.99 2pcc h ASN 52 CO 0.01 0.75 -0.18 0.40 -0.37 0.00 0.00 177.43 178.04 2pcc h ILE 53 N 0.00 1.67 0.00 2.57 2.04 -1.32 -3.30 117.51 119.17 2pcc h ILE 53 Ca -0.01 -2.21 0.00 0.00 1.00 0.00 0.00 64.86 63.64 2pcc h ILE 53 Cb 1.32 3.15 0.00 0.00 -0.74 0.00 0.00 36.82 40.55 2pcc h ILE 53 CO 0.10 0.59 0.00 0.29 0.00 0.00 0.00 178.15 179.13 2pcc n LYS 54 N -4.53 0.44 -0.00 2.37 5.02 0.98 -1.97 118.16 120.47 2pcc n LYS 54 Ca -0.10 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.20 2pcc n LYS 54 Cb 0.52 -1.41 -0.11 0.00 -0.02 0.00 0.00 35.03 34.01 2pcc n LYS 54 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2pcc n LYS 55 N -0.91 0.65 -0.41 1.97 0.00 -1.20 -5.01 118.16 113.25 2pcc n LYS 55 Ca 0.09 0.05 0.00 0.00 0.00 0.00 0.00 58.31 58.45 2pcc n LYS 55 Cb 0.04 -1.67 0.00 0.00 0.00 0.00 0.00 35.03 33.40 2pcc n LYS 55 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2pcc n ASN 56 N -2.67 -0.47 -4.20 3.14 2.85 -0.83 -4.95 115.26 108.13 2pcc n ASN 56 Ca -0.12 0.05 -0.20 0.00 -0.11 0.00 0.00 54.58 54.19 2pcc n ASN 56 Cb 0.81 -0.10 -0.12 0.00 1.24 0.00 0.00 39.78 41.61 2pcc n ASN 56 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 2pcc s VAL 57 N -0.03 1.26 0.18 3.44 -7.23 -1.26 -4.89 120.40 111.88 2pcc s VAL 57 Ca 0.00 -1.36 -0.22 0.00 -1.81 0.00 0.00 61.98 58.59 2pcc s VAL 57 Cb 0.00 -1.19 -0.08 0.00 0.56 0.00 0.00 36.38 35.67 2pcc s VAL 57 CO 0.00 -0.18 0.74 -0.22 -0.31 0.00 0.00 175.10 175.13 2pcc s LEU 58 N -1.77 4.48 -0.49 1.32 2.96 -1.26 -0.68 118.68 123.24 2pcc s LEU 58 Ca 0.00 1.52 -0.24 0.00 -0.22 0.00 0.00 54.13 55.19 2pcc s LEU 58 Cb -0.10 -3.39 0.03 0.00 0.50 0.00 0.00 46.19 43.23 2pcc s LEU 58 CO 0.03 0.14 0.87 0.26 -1.32 0.00 0.00 176.35 176.33 2pcc s TRP 59 N -1.31 2.91 0.05 5.38 0.52 0.12 -4.85 118.94 121.76 2pcc s TRP 59 Ca 0.38 0.15 0.09 0.00 0.02 0.00 0.00 56.10 56.74 2pcc s TRP 59 Cb -0.20 -3.89 -0.03 0.00 -1.15 0.00 0.00 33.47 28.21 2pcc s TRP 59 CO 0.23 -1.14 -0.24 0.16 0.02 0.00 0.00 176.95 175.98 2pcc s ASP 60 N 2.42 2.89 0.47 2.95 1.47 -1.26 -1.21 116.67 124.41 2pcc s ASP 60 Ca 0.32 -0.57 0.15 0.00 1.18 0.00 0.00 52.55 53.63 2pcc s ASP 60 Cb -0.12 -0.25 0.53 0.00 -0.34 0.00 0.00 42.92 42.74 2pcc s ASP 60 CO 0.22 0.21 0.93 -1.84 0.68 0.00 0.00 175.17 175.38 2pcc n GLU 61 N 1.75 0.01 -0.08 2.11 0.28 -1.26 -1.42 120.64 122.03 2pcc n GLU 61 Ca -0.17 0.76 -0.11 0.00 -0.16 0.00 0.00 57.16 57.48 2pcc n GLU 61 Cb 0.53 -1.94 -0.07 0.00 1.43 0.00 0.00 31.44 31.39 2pcc n GLU 61 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 2pcc h ASN 62 N 0.00 0.00 0.64 -1.84 2.35 -1.97 -3.14 115.58 111.63 2pcc h ASN 62 Ca 0.29 -0.36 -0.06 0.00 -0.55 0.00 0.00 56.30 55.61 2pcc h ASN 62 Cb 2.07 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 40.43 2pcc h ASN 62 CO -0.00 1.00 -0.29 -0.55 -1.65 0.00 0.00 177.43 175.93 2pcc h ASN 63 N -1.00 0.00 -0.53 5.81 7.08 -1.57 -2.81 115.58 122.56 2pcc h ASN 63 Ca -0.11 0.00 -0.06 0.00 -3.08 0.00 0.00 56.30 53.05 2pcc h ASN 63 Cb 0.77 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 36.99 2pcc h ASN 63 CO -0.07 0.29 0.13 -0.03 -2.08 0.00 0.00 177.43 175.67 2pcc h MET 64 N 0.00 0.90 0.00 4.14 4.05 -1.47 -2.22 114.93 120.33 2pcc h MET 64 Ca -0.00 -0.20 -0.13 0.00 -0.28 0.00 0.00 59.70 59.09 2pcc h MET 64 Cb 0.69 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 31.34 2pcc h MET 64 CO 0.04 0.81 -0.61 1.03 0.23 0.00 0.00 176.91 178.41 2pcc h SER 65 N 0.86 0.00 0.26 1.39 0.87 -1.44 -2.32 113.55 113.17 2pcc h SER 65 Ca 0.19 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.57 2pcc h SER 65 Cb 0.33 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.28 2pcc h SER 65 CO 0.00 0.61 -0.71 -0.33 -0.53 0.00 0.00 176.83 175.87 2pcc h GLU 66 N 0.00 0.39 0.71 2.24 5.08 -1.38 -3.03 114.58 118.60 2pcc h GLU 66 Ca -0.01 -0.31 -0.03 0.00 -1.00 0.00 0.00 59.36 58.00 2pcc h GLU 66 Cb 1.15 0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.47 2pcc h GLU 66 CO 0.08 0.95 -0.34 -0.92 -1.00 0.00 0.00 179.01 177.78 2pcc h TYR 67 N 0.27 -0.89 -0.46 4.33 3.20 -1.26 -3.22 116.97 118.94 2pcc h TYR 67 Ca -0.03 -0.02 0.13 0.00 3.14 0.00 0.00 58.73 61.96 2pcc h TYR 67 Cb 1.28 0.29 -0.02 0.00 1.54 0.00 0.00 36.73 39.82 2pcc h TYR 67 CO 0.04 -0.55 0.45 -0.07 -1.64 0.00 0.00 178.16 176.39 2pcc h LEU 68 N -1.16 0.00 -0.97 2.82 3.38 -1.51 0.38 115.31 118.24 2pcc h LEU 68 Ca -0.10 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 2pcc h LEU 68 Cb 0.73 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 2pcc h LEU 68 CO 0.16 0.00 -0.06 0.74 0.09 0.00 0.00 178.44 179.37 2pcc h THR 69 N 0.00 1.24 -0.68 0.22 2.02 -1.54 1.02 112.91 115.19 2pcc h THR 69 Ca 0.22 -1.02 -0.08 0.00 0.77 0.00 0.00 66.41 66.30 2pcc h THR 69 Cb 1.13 0.99 -0.16 0.00 -1.74 0.00 0.00 68.15 68.37 2pcc h THR 69 CO -0.00 0.35 -0.34 0.21 0.37 0.00 0.00 175.52 176.11 2pcc s ASN 70 N -6.70 -0.99 0.58 4.18 3.84 -0.01 -4.03 114.94 111.82 2pcc s ASN 70 Ca -0.09 -1.13 0.30 0.00 0.21 0.00 0.00 52.86 52.15 2pcc s ASN 70 Cb 0.15 1.29 1.43 0.00 -0.55 0.00 0.00 41.25 43.57 2pcc s ASN 70 CO 0.80 -0.04 1.83 -0.65 -2.79 0.00 0.00 177.10 176.25 2pcc h PRO 71 N 4.80 0.00 0.00 0.43 0.11 -1.47 -0.69 132.00 135.19 2pcc h PRO 71 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 2pcc h PRO 71 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2pcc h PRO 71 CO -0.03 0.00 -1.10 1.63 -0.21 0.00 0.00 178.00 178.29 2pcc n LYS 72 N -3.79 0.59 0.06 1.05 5.02 -1.26 -2.30 118.16 117.53 2pcc n LYS 72 Ca 0.13 0.08 -0.20 0.00 -2.02 0.00 0.00 58.31 56.30 2pcc n LYS 72 Cb 0.86 -1.79 -0.14 0.00 -0.02 0.00 0.00 35.03 33.94 2pcc n LYS 72 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2pcc h LYS 73 N 0.00 0.41 0.61 1.97 3.64 -1.52 -2.56 116.57 119.11 2pcc h LYS 73 Ca 0.00 -0.60 -0.03 0.00 -1.27 0.00 0.00 60.65 58.75 2pcc h LYS 73 Cb 0.99 0.21 0.01 0.00 -0.41 0.00 0.00 32.23 33.02 2pcc h LYS 73 CO 0.00 1.26 -0.29 -0.92 -2.27 0.00 0.00 179.45 177.22 2pcc h TYR 74 N -0.14 -0.76 -2.63 1.91 3.20 -1.51 -3.36 116.97 113.68 2pcc h TYR 74 Ca -0.15 -0.02 -0.60 0.00 3.14 0.00 0.00 58.73 61.10 2pcc h TYR 74 Cb 1.67 0.25 -0.41 0.00 1.54 0.00 0.00 36.73 39.78 2pcc h TYR 74 CO 0.16 -0.43 -0.68 -0.89 -1.64 0.00 0.00 178.16 174.69 2pcc n ILE 75 N -5.38 1.30 -1.55 1.81 5.41 -0.97 -5.09 119.36 114.89 2pcc n ILE 75 Ca -0.12 -4.72 -0.40 0.00 1.00 0.00 0.00 62.75 58.51 2pcc n ILE 75 Cb 0.35 -2.07 0.02 0.00 -0.71 0.00 0.00 39.64 37.24 2pcc n ILE 75 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2pcc n PRO 76 N 1.68 0.92 0.00 0.38 -0.02 -0.97 0.28 135.00 137.27 2pcc n PRO 76 Ca 0.24 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 2pcc n PRO 76 Cb 0.40 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 2pcc n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pcc n GLY 77 N 1.46 2.71 3.54 -1.23 0.00 -1.26 -4.85 105.19 105.56 2pcc n GLY 77 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 2pcc n GLY 77 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2pcc n THR 78 N -2.00 2.08 -0.34 2.61 5.66 0.14 -4.87 114.28 117.57 2pcc n THR 78 Ca 0.00 -0.36 0.09 0.00 -3.05 0.00 0.00 64.05 60.73 2pcc n THR 78 Cb 0.00 -0.90 0.25 0.00 -1.55 0.00 0.00 70.33 68.13 2pcc n THR 78 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 2pcc n LYS 79 N -1.40 2.91 -2.44 1.09 2.85 -1.26 -4.92 118.16 114.99 2pcc n LYS 79 Ca 0.11 -2.44 -0.43 0.00 -1.05 0.00 0.00 58.31 54.51 2pcc n LYS 79 Cb 0.50 -1.49 -0.02 0.00 -0.65 0.00 0.00 35.03 33.37 2pcc n LYS 79 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 2pcc s MET 80 N -1.16 4.26 -1.10 -1.58 -2.45 -1.26 -4.93 119.30 111.08 2pcc s MET 80 Ca 0.38 1.66 -0.13 0.00 -1.25 0.00 0.00 55.69 56.35 2pcc s MET 80 Cb 0.21 -3.71 0.21 0.00 1.25 0.00 0.00 34.83 32.79 2pcc s MET 80 CO 0.24 -0.64 1.21 0.00 1.05 0.00 0.00 175.02 176.88 2pcc s ALA 81 N 3.15 4.21 -0.01 4.11 0.00 -1.26 -4.88 121.76 127.09 2pcc s ALA 81 Ca 0.55 -3.47 0.02 0.00 0.00 0.00 0.00 51.96 49.06 2pcc s ALA 81 Cb -0.22 -3.85 -0.00 0.00 0.00 0.00 0.00 23.12 19.05 2pcc s ALA 81 CO 0.16 -2.53 -0.06 0.12 0.00 0.00 0.00 175.76 173.45 2pcc s PHE 82 N 0.50 0.57 0.09 0.00 5.36 -1.26 -5.05 117.98 118.19 2pcc s PHE 82 Ca 0.34 -0.11 0.05 0.00 -0.96 0.00 0.00 56.93 56.26 2pcc s PHE 82 Cb -0.06 -0.39 -0.23 0.00 -0.34 0.00 0.00 43.02 42.00 2pcc s PHE 82 CO -0.05 -0.03 1.18 0.78 -1.46 0.00 0.00 175.22 175.64 2pcc h GLY 83 N 6.13 0.06 0.00 13.12 0.00 -1.94 -3.43 103.07 117.01 2pcc h GLY 83 Ca -0.30 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2pcc h GLY 83 CO 0.50 0.13 0.00 0.61 0.00 0.00 0.00 176.54 177.78 2pcc n GLY 84 N 1.41 3.09 3.37 4.60 0.00 -1.26 -4.57 105.19 111.83 2pcc n GLY 84 Ca -0.04 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 2pcc n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pcc s LEU 85 N 0.00 5.07 0.00 0.99 1.43 0.35 -4.91 118.68 121.62 2pcc s LEU 85 Ca 0.00 -1.16 0.26 0.00 -1.03 0.00 0.00 54.13 52.20 2pcc s LEU 85 Cb 0.00 -2.07 1.48 0.00 0.03 0.00 0.00 46.19 45.63 2pcc s LEU 85 CO 0.00 -0.49 1.89 0.29 0.23 0.00 0.00 176.35 178.27 2pcc n LYS 86 N 5.05 0.70 -4.04 1.70 4.76 -1.26 -4.22 118.16 120.86 2pcc n LYS 86 Ca -0.11 0.01 -0.31 0.00 -2.87 0.00 0.00 58.31 55.03 2pcc n LYS 86 Cb 0.45 -1.50 -0.16 0.00 -1.84 0.00 0.00 35.03 31.98 2pcc n LYS 86 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2pcc s LYS 87 N -2.14 2.31 0.24 1.97 1.02 -1.26 -5.00 119.74 116.87 2pcc s LYS 87 Ca 0.35 -0.87 -0.11 0.00 0.02 0.00 0.00 55.97 55.37 2pcc s LYS 87 Cb 0.18 -2.47 0.33 0.00 -0.52 0.00 0.00 37.83 35.35 2pcc s LYS 87 CO 0.32 -0.37 1.61 1.49 -0.92 0.00 0.00 175.35 177.47 2pcc h GLU 88 N 7.95 0.01 0.25 1.68 4.81 -1.98 0.48 114.58 127.78 2pcc h GLU 88 Ca -0.32 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 58.92 2pcc h GLU 88 Cb 1.10 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.44 2pcc h GLU 88 CO 0.52 0.01 -0.46 0.87 -0.73 0.00 0.00 179.01 179.21 2pcc h LYS 89 N 0.01 -0.75 -0.81 1.92 6.56 -1.98 0.93 116.57 122.45 2pcc h LYS 89 Ca 0.37 0.05 0.11 0.00 -1.06 0.00 0.00 60.65 60.13 2pcc h LYS 89 Cb 0.58 0.17 -0.13 0.00 -0.57 0.00 0.00 32.23 32.28 2pcc h LYS 89 CO -0.77 -0.50 -0.44 -0.44 -2.06 0.00 0.00 179.45 175.24 2pcc h ASP 90 N -0.78 -1.59 -0.95 0.86 3.32 -1.16 2.18 116.42 118.30 2pcc h ASP 90 Ca -0.01 0.28 0.07 0.00 0.02 0.00 0.00 57.03 57.40 2pcc h ASP 90 Cb 0.75 0.76 -0.07 0.00 0.22 0.00 0.00 39.33 40.99 2pcc h ASP 90 CO -0.19 -0.30 0.60 0.03 -1.72 0.00 0.00 179.24 177.67 2pcc h ARG 91 N -0.10 1.04 0.71 3.56 3.08 0.92 0.85 114.38 124.44 2pcc h ARG 91 Ca 0.24 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.19 2pcc h ARG 91 Cb 0.54 -0.23 0.01 0.00 0.08 0.00 0.00 29.97 30.37 2pcc h ARG 91 CO -0.85 0.69 -0.34 -0.91 -1.07 0.00 0.00 179.97 177.49 2pcc h ASN 92 N 1.07 -0.81 -0.87 7.04 2.35 0.86 0.21 115.58 125.42 2pcc h ASN 92 Ca 0.42 0.03 0.22 0.00 -0.55 0.00 0.00 56.30 56.42 2pcc h ASN 92 Cb 0.22 0.21 -0.13 0.00 0.05 0.00 0.00 38.32 38.67 2pcc h ASN 92 CO -0.19 -0.44 0.33 0.44 -1.65 0.00 0.00 177.43 175.92 2pcc h ASP 93 N -1.23 0.21 0.23 5.81 3.32 0.34 0.44 116.42 125.54 2pcc h ASP 93 Ca -0.10 0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 2pcc h ASP 93 Cb 0.73 0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.46 2pcc h ASP 93 CO 0.16 -0.04 -0.11 0.25 -1.72 0.00 0.00 179.24 177.78 2pcc h LEU 94 N 0.34 -0.26 -0.38 1.55 5.85 0.81 -2.79 115.31 120.43 2pcc h LEU 94 Ca 0.54 -0.22 0.07 0.00 0.84 0.00 0.00 57.88 59.11 2pcc h LEU 94 Cb 1.04 0.07 -0.09 0.00 0.37 0.00 0.00 40.66 42.04 2pcc h LEU 94 CO -0.56 0.25 -0.38 0.40 -0.34 0.00 0.00 178.44 177.82 2pcc h ILE 95 N -0.95 0.17 -0.97 4.05 1.08 -0.35 0.31 117.51 120.85 2pcc h ILE 95 Ca -0.03 0.00 0.31 0.00 -0.39 0.00 0.00 64.86 64.75 2pcc h ILE 95 Cb 0.47 0.17 -0.16 0.00 -3.07 0.00 0.00 36.82 34.23 2pcc h ILE 95 CO 0.05 0.00 0.40 0.74 -0.69 0.00 0.00 178.15 178.65 2pcc h THR 96 N -0.31 0.20 -0.27 -0.27 2.02 -1.04 1.43 112.91 114.67 2pcc h THR 96 Ca 0.15 -0.06 -0.03 0.00 0.77 0.00 0.00 66.41 67.24 2pcc h THR 96 Cb 0.57 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 2pcc h THR 96 CO -0.54 0.03 0.06 0.22 0.37 0.00 0.00 175.52 175.66 2pcc h TYR 97 N 0.18 0.46 -0.24 3.16 5.03 -0.26 -2.99 116.97 122.30 2pcc h TYR 97 Ca 0.69 -0.06 -0.02 0.00 2.58 0.00 0.00 58.73 61.92 2pcc h TYR 97 Cb 1.58 -0.13 -0.01 0.00 1.55 0.00 0.00 36.73 39.72 2pcc h TYR 97 CO -0.15 0.52 0.07 -0.07 -1.32 0.00 0.00 178.16 177.21 2pcc h LEU 98 N 0.27 0.36 -0.47 2.82 3.38 0.22 0.35 115.31 122.25 2pcc h LEU 98 Ca 0.09 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 57.88 2pcc h LEU 98 Cb 0.29 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.89 2pcc h LEU 98 CO 0.00 0.48 -0.28 0.29 0.09 0.00 0.00 178.44 179.03 2pcc n LYS 99 N -4.74 -0.21 -0.26 1.13 4.76 0.45 -0.57 118.16 118.72 2pcc n LYS 99 Ca -0.03 1.12 -0.02 0.00 -2.87 0.00 0.00 58.31 56.51 2pcc n LYS 99 Cb 0.16 -1.66 0.16 0.00 -1.84 0.00 0.00 35.03 31.85 2pcc n LYS 99 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 2pcc h LYS 100 N 0.00 1.09 0.00 1.97 1.79 -1.37 -3.27 116.57 116.79 2pcc h LYS 100 Ca 0.07 -0.12 -0.17 0.00 -2.18 0.00 0.00 60.65 58.25 2pcc h LYS 100 Cb 0.19 -0.22 -0.03 0.00 -1.58 0.00 0.00 32.23 30.60 2pcc h LYS 100 CO -0.44 0.80 -0.88 0.00 -1.08 0.00 0.00 179.45 177.85 2pcc h ALA 101 N 1.37 0.52 -0.67 3.86 0.00 0.11 -3.34 119.26 121.11 2pcc h ALA 101 Ca 0.28 -0.77 -0.13 0.00 0.00 0.00 0.00 54.91 54.29 2pcc h ALA 101 Cb 0.03 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.67 2pcc h ALA 101 CO -0.05 1.01 0.17 0.00 0.00 0.00 0.00 179.25 180.38