#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pcc n GLU -4 N 0.00 0.00 -4.33 -0.78 4.71 -1.26 -5.07 120.64 113.90 2pcc n GLU -4 Ca 0.00 -0.06 -0.18 0.00 -0.01 0.00 0.00 57.16 56.91 2pcc n GLU -4 Cb 0.00 -0.15 -0.15 0.00 -1.01 0.00 0.00 31.44 30.14 2pcc n GLU -4 CO 0.00 0.00 0.00 0.12 0.09 0.00 0.00 177.13 177.34 2pcc s PHE -3 N 0.00 0.77 -0.10 -0.32 5.36 -1.26 -5.07 117.98 117.35 2pcc s PHE -3 Ca 0.00 -0.15 0.01 0.00 -0.96 0.00 0.00 56.93 55.83 2pcc s PHE -3 Cb 0.00 -0.49 0.02 0.00 -0.34 0.00 0.00 43.02 42.21 2pcc s PHE -3 CO 0.00 -0.01 -0.12 0.15 -1.46 0.00 0.00 175.22 173.78 2pcc s LYS -2 N -0.25 1.88 0.56 10.12 1.02 -1.26 -5.11 119.74 126.70 2pcc s LYS -2 Ca 0.03 -0.43 -0.18 0.00 0.02 0.00 0.00 55.97 55.41 2pcc s LYS -2 Cb -0.03 -1.70 -0.15 0.00 -0.52 0.00 0.00 37.83 35.43 2pcc s LYS -2 CO -0.00 -0.12 -0.15 0.00 -0.92 0.00 0.00 175.35 174.16 2pcc n ALA -1 N 4.38 -3.19 -3.00 5.17 0.00 -1.26 -4.85 120.51 117.77 2pcc n ALA -1 Ca -0.18 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2pcc n ALA -1 Cb 0.51 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 2.55 5.86 3.55 0.00 0.00 -1.26 -4.94 105.19 110.96 2pcc n GLY 1 Ca 0.07 -1.55 -0.43 0.00 0.00 0.00 0.00 46.02 44.11 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 6.41 -0.00 1.61 0.15 -1.26 -4.85 113.70 116.76 2pcc s SER 2 Ca 0.00 -0.09 0.03 0.00 0.70 0.00 0.00 55.95 56.59 2pcc s SER 2 Cb 0.00 -2.49 0.09 0.00 -1.71 0.00 0.00 66.02 61.91 2pcc s SER 2 CO 0.00 -1.30 1.02 0.00 1.20 0.00 0.00 173.24 174.15 2pcc n ALA 3 N 7.81 2.51 -0.06 5.45 0.00 -1.26 -1.73 120.51 133.23 2pcc n ALA 3 Ca 0.05 -0.18 -0.14 0.00 0.00 0.00 0.00 53.44 53.17 2pcc n ALA 3 Cb 0.48 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.80 2pcc n ALA 3 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2pcc n LYS 4 N -0.18 0.68 0.02 0.00 3.00 -1.26 -3.99 118.16 116.43 2pcc n LYS 4 Ca 0.03 0.17 -0.22 0.00 -0.00 0.00 0.00 58.31 58.30 2pcc n LYS 4 Cb 0.12 -1.64 -0.14 0.00 0.00 0.00 0.00 35.03 33.37 2pcc n LYS 4 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 2pcc h LYS 5 N 0.02 0.28 0.00 1.64 1.63 -1.88 -3.29 116.57 114.98 2pcc h LYS 5 Ca -0.46 -0.48 0.00 0.00 -0.85 0.00 0.00 60.65 58.86 2pcc h LYS 5 Cb 2.06 0.18 0.00 0.00 -0.60 0.00 0.00 32.23 33.87 2pcc h LYS 5 CO 0.03 1.23 0.01 0.41 -3.45 0.00 0.00 179.45 177.68 2pcc n GLY 6 N 1.90 -0.27 0.11 5.01 0.00 -0.70 -1.35 105.19 109.89 2pcc n GLY 6 Ca -0.29 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.51 2pcc n GLY 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pcc n ALA 7 N -1.26 0.94 -0.30 4.61 0.00 -1.24 -3.31 120.51 119.95 2pcc n ALA 7 Ca 0.00 -0.79 0.19 0.00 0.00 0.00 0.00 53.44 52.85 2pcc n ALA 7 Cb 0.01 -0.13 0.47 0.00 0.00 0.00 0.00 19.45 19.80 2pcc n ALA 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pcc h THR 8 N -1.00 0.62 -0.17 0.00 1.03 -1.28 1.21 112.91 113.32 2pcc h THR 8 Ca -0.43 -0.16 -0.11 0.00 -0.01 0.00 0.00 66.41 65.70 2pcc h THR 8 Cb 1.32 0.10 -0.01 0.00 -1.07 0.00 0.00 68.15 68.49 2pcc h THR 8 CO -0.26 0.09 -0.35 0.25 -0.01 0.00 0.00 175.52 175.23 2pcc h LEU 9 N 0.48 0.37 0.03 0.00 5.85 -1.43 -1.73 115.31 118.88 2pcc h LEU 9 Ca 0.54 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 59.12 2pcc h LEU 9 Cb 1.26 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.19 2pcc h LEU 9 CO -0.27 0.70 -0.02 0.15 -0.34 0.00 0.00 178.44 178.67 2pcc h PHE 10 N 0.31 -0.04 0.24 1.25 3.57 0.13 -1.18 116.94 121.22 2pcc h PHE 10 Ca 0.04 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.54 2pcc h PHE 10 Cb 0.77 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.49 2pcc h PHE 10 CO 0.02 0.20 -0.34 0.87 -2.23 0.00 0.00 178.31 176.83 2pcc h LYS 11 N -0.28 -0.62 0.01 1.11 6.56 -0.69 0.59 116.57 123.25 2pcc h LYS 11 Ca -0.00 0.04 -0.17 0.00 -1.06 0.00 0.00 60.65 59.46 2pcc h LYS 11 Cb 0.26 0.14 0.01 0.00 -0.57 0.00 0.00 32.23 32.07 2pcc h LYS 11 CO 0.01 -0.41 -0.66 1.79 -2.06 0.00 0.00 179.45 178.12 2pcc h THR 12 N -0.64 1.42 0.00 -0.16 1.35 -1.34 -3.28 112.91 110.25 2pcc h THR 12 Ca 0.00 -2.13 0.00 0.00 -0.55 0.00 0.00 66.41 63.73 2pcc h THR 12 Cb 0.61 2.62 0.00 0.00 -1.73 0.00 0.00 68.15 69.66 2pcc h THR 12 CO -0.12 0.62 -1.11 0.54 -0.25 0.00 0.00 175.52 175.20 2pcc n ARG 13 N -4.18 0.50 0.00 4.72 5.12 -0.45 -4.78 116.66 117.60 2pcc n ARG 13 Ca -0.11 0.04 0.00 0.00 -1.93 0.00 0.00 57.85 55.86 2pcc n ARG 13 Cb 0.70 -1.71 0.00 0.00 -1.16 0.00 0.00 32.46 30.29 2pcc n ARG 13 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2pcc h LEU 15 N 0.00 0.00 -2.37 0.00 5.85 -0.08 0.17 115.31 118.88 2pcc h LEU 15 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 2pcc h LEU 15 Cb 0.40 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 2pcc h LEU 15 CO 0.00 0.00 -0.02 0.06 -0.34 0.00 0.00 178.44 178.14 2pcc h GLN 16 N 0.00 0.00 0.00 1.25 -0.00 -1.83 -3.00 115.11 111.53 2pcc h GLN 16 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.83 2pcc h GLN 16 Cb 1.14 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.62 2pcc h GLN 16 CO -0.00 0.02 0.00 0.00 -0.00 0.00 0.00 178.83 178.85 2pcc s HIS 18 N -0.25 -0.30 0.11 0.00 3.76 -1.13 -1.17 115.29 116.30 2pcc s HIS 18 Ca 0.00 0.23 0.09 0.00 -0.15 0.00 0.00 55.06 55.23 2pcc s HIS 18 Cb 0.00 0.26 -0.04 0.00 1.11 0.00 0.00 32.58 33.92 2pcc s HIS 18 CO 0.00 -0.62 -0.23 0.95 -0.85 0.00 0.00 174.74 173.99 2pcc s THR 19 N -2.73 1.94 -0.01 1.30 -4.23 -1.26 -4.37 115.64 106.28 2pcc s THR 19 Ca -0.04 -1.59 0.03 0.00 -1.18 0.00 0.00 61.69 58.91 2pcc s THR 19 Cb -0.00 -1.73 -0.04 0.00 1.34 0.00 0.00 72.50 72.06 2pcc s THR 19 CO -0.04 0.04 0.05 1.33 -0.54 0.00 0.00 174.62 175.46 2pcc n VAL 20 N 1.10 0.02 -0.78 2.29 0.24 -1.26 -1.06 118.33 118.89 2pcc n VAL 20 Ca -0.19 -0.07 -0.32 0.00 -2.04 0.00 0.00 64.34 61.73 2pcc n VAL 20 Cb 0.53 0.27 0.15 0.00 -1.47 0.00 0.00 33.84 33.32 2pcc n VAL 20 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2pcc n GLU 21 N -1.66 -0.31 -1.68 7.34 4.71 -1.26 -3.05 120.64 124.73 2pcc n GLU 21 Ca -0.01 -0.03 -0.47 0.00 -0.01 0.00 0.00 57.16 56.64 2pcc n GLU 21 Cb 0.13 -2.28 -0.04 0.00 -1.01 0.00 0.00 31.44 28.24 2pcc n GLU 21 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 2pcc n LYS 22 N -3.53 2.29 -4.25 3.49 4.81 -1.26 -1.38 118.16 118.34 2pcc n LYS 22 Ca 0.11 0.84 -0.31 0.00 -0.87 0.00 0.00 58.31 58.08 2pcc n LYS 22 Cb 0.52 -2.70 -0.07 0.00 0.02 0.00 0.00 35.03 32.79 2pcc n LYS 22 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2pcc n GLY 23 N 4.41 -0.19 3.95 3.14 0.00 -1.26 -4.93 105.19 110.31 2pcc n GLY 23 Ca 0.22 0.16 -0.29 0.00 0.00 0.00 0.00 46.02 46.11 2pcc n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2pcc s GLY 24 N -4.21 1.81 0.66 -0.02 0.00 -0.48 -5.04 107.32 100.04 2pcc s GLY 24 Ca 0.13 -1.45 -0.11 0.00 0.00 0.00 0.00 44.72 43.28 2pcc s GLY 24 CO 0.97 -0.66 1.06 2.56 0.00 0.00 0.00 173.10 177.03 2pcc s PRO 25 N -5.80 3.25 0.80 2.90 0.04 -1.26 -4.86 135.00 130.07 2pcc s PRO 25 Ca 0.75 0.63 -0.10 0.00 0.04 0.00 0.00 61.00 62.32 2pcc s PRO 25 Cb -0.03 -2.05 0.11 0.00 0.04 0.00 0.00 34.50 32.57 2pcc s PRO 25 CO 0.52 -0.80 1.14 -1.01 0.04 0.00 0.00 177.00 176.89 2pcc s HIS 26 N -3.25 2.48 0.00 0.56 3.76 -1.26 -4.35 115.29 113.22 2pcc s HIS 26 Ca 0.57 0.44 0.00 0.00 -0.15 0.00 0.00 55.06 55.91 2pcc s HIS 26 Cb -0.11 -3.50 0.00 0.00 1.11 0.00 0.00 32.58 30.08 2pcc s HIS 26 CO 0.53 -1.86 0.00 1.63 -0.85 0.00 0.00 174.74 174.19 2pcc n LYS 27 N -3.24 0.00 -0.25 1.40 5.02 -1.26 -4.97 118.16 114.85 2pcc n LYS 27 Ca 0.10 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.37 2pcc n LYS 27 Cb 0.60 0.00 0.09 0.00 -0.02 0.00 0.00 35.03 35.70 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 1.06 -1.03 -0.18 2.07 -1.81 -3.44 116.25 112.92 2pcc h VAL 28 Ca 0.00 -0.28 -0.64 0.00 0.82 0.00 0.00 66.70 66.60 2pcc h VAL 28 Cb 0.00 0.17 -0.12 0.00 -1.52 0.00 0.00 31.29 29.82 2pcc h VAL 28 CO 0.00 0.15 -0.53 -0.83 0.02 0.00 0.00 177.57 176.38 2pcc s GLY 29 N -2.96 2.70 0.32 2.17 0.00 -0.32 -5.08 107.32 104.15 2pcc s GLY 29 Ca -0.13 -1.40 -0.29 0.00 0.00 0.00 0.00 44.72 42.91 2pcc s GLY 29 CO 0.77 -2.11 1.23 -4.14 0.00 0.00 0.00 173.10 168.85 2pcc s PRO 30 N -3.85 4.41 0.38 2.90 0.02 -1.26 -4.59 135.00 133.01 2pcc s PRO 30 Ca 0.23 2.06 -0.27 0.00 0.02 0.00 0.00 61.00 63.04 2pcc s PRO 30 Cb 0.05 -3.07 -0.10 0.00 0.02 0.00 0.00 34.50 31.40 2pcc s PRO 30 CO 0.13 -0.08 1.43 1.21 -0.33 0.00 0.00 177.00 179.35 2pcc s ASN 31 N -0.66 6.33 -0.11 2.53 3.84 -1.26 -4.50 114.94 121.11 2pcc s ASN 31 Ca 0.48 2.93 0.16 0.00 0.21 0.00 0.00 52.86 56.64 2pcc s ASN 31 Cb -0.37 -2.66 0.57 0.00 -0.55 0.00 0.00 41.25 38.24 2pcc s ASN 31 CO 0.48 -0.87 1.48 0.18 -2.79 0.00 0.00 177.10 175.59 2pcc n LEU 32 N 0.37 4.10 -4.69 3.21 4.77 -0.22 -4.95 117.00 119.60 2pcc n LEU 32 Ca 0.02 -2.54 -0.44 0.00 -0.03 0.00 0.00 56.01 53.01 2pcc n LEU 32 Cb 0.40 -0.49 -0.03 0.00 -2.33 0.00 0.00 43.42 40.98 2pcc n LEU 32 CO 0.61 0.74 1.17 1.57 -1.33 0.00 0.00 177.39 180.15 2pcc n HIS 33 N 0.44 2.40 -3.77 -1.77 -0.00 -1.17 -2.23 115.22 109.12 2pcc n HIS 33 Ca 0.21 0.29 -0.35 0.00 0.46 0.00 0.00 57.72 58.33 2pcc n HIS 33 Cb 0.80 -2.54 0.04 0.00 -0.12 0.00 0.00 29.99 28.16 2pcc n HIS 33 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2pcc n GLY 34 N 2.90 -0.94 0.12 1.57 0.00 0.59 -4.93 105.19 104.50 2pcc n GLY 34 Ca 0.14 0.42 -0.18 0.00 0.00 0.00 0.00 46.02 46.40 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 -2.05 1.24 -2.53 -0.61 6.09 -1.57 -3.42 117.51 114.67 2pcc h ILE 35 Ca -0.67 -2.83 -0.53 0.00 -1.37 0.00 0.00 64.86 59.46 2pcc h ILE 35 Cb 1.37 2.85 0.03 0.00 0.47 0.00 0.00 36.82 41.54 2pcc h ILE 35 CO 0.49 0.84 1.12 -0.36 -3.07 0.00 0.00 178.15 177.17 2pcc s PHE 36 N -2.62 1.99 0.00 2.19 0.08 -1.26 -1.11 117.98 117.24 2pcc s PHE 36 Ca -0.08 -0.06 0.00 0.00 0.12 0.00 0.00 56.93 56.91 2pcc s PHE 36 Cb 0.06 -4.15 0.00 0.00 -0.57 0.00 0.00 43.02 38.37 2pcc s PHE 36 CO 0.87 -4.82 0.00 0.41 -0.10 0.00 0.00 175.22 171.59 2pcc n GLY 37 N 4.26 0.40 3.61 4.36 0.00 -0.63 -5.04 105.19 112.16 2pcc n GLY 37 Ca 0.18 -0.91 -0.23 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.65 2.18 -0.08 1.61 3.00 -0.27 -4.92 118.95 118.82 2pcc s ARG 38 Ca 0.00 -1.49 -0.20 0.00 -1.00 0.00 0.00 55.73 53.05 2pcc s ARG 38 Cb 0.00 -2.09 -0.04 0.00 0.00 0.00 0.00 34.95 32.82 2pcc s ARG 38 CO 0.00 0.36 0.54 -1.01 0.00 0.00 0.00 175.30 175.19 2pcc s HIS 39 N -2.36 3.57 0.20 5.12 3.76 -1.26 -2.20 115.29 122.12 2pcc s HIS 39 Ca 0.31 1.02 -0.17 0.00 -0.15 0.00 0.00 55.06 56.07 2pcc s HIS 39 Cb -0.06 -2.60 -0.11 0.00 1.11 0.00 0.00 32.58 30.91 2pcc s HIS 39 CO 0.19 0.20 0.22 -1.13 -0.85 0.00 0.00 174.74 173.37 2pcc n SER 40 N 3.45 -1.39 -3.86 1.40 3.41 0.46 -2.68 113.62 114.41 2pcc n SER 40 Ca -0.06 0.67 -0.24 0.00 -0.26 0.00 0.00 58.87 58.99 2pcc n SER 40 Cb 0.51 -0.63 -0.00 0.00 -0.26 0.00 0.00 64.21 63.83 2pcc n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2pcc n GLY 41 N 1.48 -0.25 0.00 5.00 0.00 -1.21 -4.58 105.19 105.63 2pcc n GLY 41 Ca 0.10 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -4.35 2.60 -0.78 1.61 1.13 -1.09 -4.86 117.38 111.64 2pcc n GLN 42 Ca -0.31 -1.38 -0.33 0.00 -1.94 0.00 0.00 57.00 53.05 2pcc n GLN 42 Cb 0.68 -0.96 0.13 0.00 0.11 0.00 0.00 30.24 30.21 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 -0.44 -2.06 -2.81 -1.58 0.00 -1.26 -4.91 120.51 107.45 2pcc n ALA 43 Ca 0.00 -0.58 -0.36 0.00 0.00 0.00 0.00 53.44 52.50 2pcc n ALA 43 Cb 0.26 -1.91 -0.08 0.00 0.00 0.00 0.00 19.45 17.72 2pcc n ALA 43 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2pcc s GLU 44 N -3.88 3.64 -0.96 0.00 0.41 -1.26 -4.43 118.70 112.22 2pcc s GLU 44 Ca 0.60 -0.23 -0.06 0.00 -0.41 0.00 0.00 54.97 54.86 2pcc s GLU 44 Cb -0.22 -3.18 0.01 0.00 -1.78 0.00 0.00 34.13 28.95 2pcc s GLU 44 CO 0.64 0.57 0.84 0.41 -0.49 0.00 0.00 175.26 177.23 2pcc n GLY 45 N 2.64 -0.11 2.78 -1.39 0.00 -1.26 -5.03 105.19 102.82 2pcc n GLY 45 Ca -0.18 -0.02 -0.18 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.23 0.29 -0.83 1.61 6.14 -1.26 -5.07 117.35 115.01 2pcc s TYR 46 Ca 0.42 0.04 -0.20 0.00 0.64 0.00 0.00 57.07 57.96 2pcc s TYR 46 Cb -0.18 -0.46 0.11 0.00 0.42 0.00 0.00 41.96 41.84 2pcc s TYR 46 CO 0.52 -0.16 1.07 -1.54 0.64 0.00 0.00 175.55 176.07 2pcc s SER 47 N 1.37 6.45 0.81 4.32 1.04 -1.26 -4.89 113.70 121.54 2pcc s SER 47 Ca -0.05 -1.63 -0.12 0.00 0.48 0.00 0.00 55.95 54.63 2pcc s SER 47 Cb -0.13 -2.41 0.08 0.00 0.10 0.00 0.00 66.02 63.66 2pcc s SER 47 CO -0.03 -1.21 1.10 -0.31 0.98 0.00 0.00 173.24 173.77 2pcc s TYR 48 N 3.25 2.81 0.83 5.02 2.02 -1.26 -5.06 117.35 124.96 2pcc s TYR 48 Ca 0.29 1.10 -0.12 0.00 -0.37 0.00 0.00 57.07 57.97 2pcc s TYR 48 Cb -0.10 -3.16 0.11 0.00 -0.40 0.00 0.00 41.96 38.41 2pcc s TYR 48 CO -0.02 -1.83 1.19 0.95 -1.57 0.00 0.00 175.55 174.27 2pcc s THR 49 N -3.19 2.04 0.25 -0.71 -4.23 -1.26 -4.93 115.64 103.61 2pcc s THR 49 Ca 0.61 -0.05 0.03 0.00 -1.18 0.00 0.00 61.69 61.10 2pcc s THR 49 Cb -0.14 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 70.71 2pcc s THR 49 CO 0.54 0.00 1.62 0.44 -0.54 0.00 0.00 174.62 176.68 2pcc h ASP 50 N -1.13 0.38 -0.33 3.99 5.19 -1.97 -2.25 116.42 120.30 2pcc h ASP 50 Ca -0.45 -0.18 -0.02 0.00 -0.62 0.00 0.00 57.03 55.76 2pcc h ASP 50 Cb 1.30 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 40.69 2pcc h ASP 50 CO 0.58 0.79 0.14 0.00 -3.12 0.00 0.00 179.24 177.63 2pcc h ALA 51 N 1.22 0.43 0.00 3.45 0.00 -1.86 0.98 119.26 123.48 2pcc h ALA 51 Ca 0.02 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2pcc h ALA 51 Cb 0.93 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 2pcc h ALA 51 CO 0.08 0.01 -0.00 -0.97 0.00 0.00 0.00 179.25 178.37 2pcc h ASN 52 N 0.39 0.00 0.00 0.00 -0.73 -1.80 -2.81 115.58 110.64 2pcc h ASN 52 Ca 0.11 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.28 2pcc h ASN 52 Cb 0.16 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.75 2pcc h ASN 52 CO -0.01 0.00 -0.23 0.40 -0.37 0.00 0.00 177.43 177.23 2pcc h ILE 53 N 0.00 0.07 0.00 2.57 1.08 -0.75 -3.21 117.51 117.27 2pcc h ILE 53 Ca -0.00 -1.07 0.00 0.00 -0.39 0.00 0.00 64.86 63.40 2pcc h ILE 53 Cb 0.39 0.15 0.00 0.00 -3.07 0.00 0.00 36.82 34.29 2pcc h ILE 53 CO 0.00 0.02 0.04 0.29 -0.69 0.00 0.00 178.15 177.82 2pcc n LYS 54 N -4.70 0.00 -0.05 2.37 4.01 0.33 -2.12 118.16 118.01 2pcc n LYS 54 Ca -0.04 0.29 -0.11 0.00 -0.51 0.00 0.00 58.31 57.94 2pcc n LYS 54 Cb 0.13 -1.54 -0.14 0.00 -0.51 0.00 0.00 35.03 32.97 2pcc n LYS 54 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 2pcc n LYS 55 N -1.27 0.67 -1.25 1.97 3.00 -1.07 -4.93 118.16 115.27 2pcc n LYS 55 Ca 0.00 0.20 0.00 0.00 -0.00 0.00 0.00 58.31 58.51 2pcc n LYS 55 Cb 0.04 -1.69 0.00 0.00 0.00 0.00 0.00 35.03 33.38 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 -3.04 -0.17 -4.56 3.14 2.85 -0.90 -4.79 115.26 107.79 2pcc n ASN 56 Ca -0.25 0.09 -0.57 0.00 -0.11 0.00 0.00 54.58 53.73 2pcc n ASN 56 Cb 1.08 -0.58 -0.07 0.00 1.24 0.00 0.00 39.78 41.44 2pcc n ASN 56 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 2pcc n VAL 57 N -1.25 0.02 -2.81 3.44 0.31 -1.26 -3.84 118.33 112.94 2pcc n VAL 57 Ca 0.00 -0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.90 2pcc n VAL 57 Cb 0.09 -0.40 -0.03 0.00 -0.91 0.00 0.00 33.84 32.58 2pcc n VAL 57 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 2pcc s LEU 58 N 0.62 4.30 0.08 7.52 1.98 -1.26 -0.40 118.68 131.51 2pcc s LEU 58 Ca 0.90 -1.16 -0.36 0.00 -2.89 0.00 0.00 54.13 50.61 2pcc s LEU 58 Cb -1.16 -2.44 -0.18 0.00 0.66 0.00 0.00 46.19 43.06 2pcc s LEU 58 CO 0.56 -1.42 1.08 0.79 -1.89 0.00 0.00 176.35 175.47 2pcc n TRP 59 N 7.78 0.83 -3.55 5.38 5.03 -0.93 -4.84 117.44 127.14 2pcc n TRP 59 Ca 0.05 0.88 -0.14 0.00 3.03 0.00 0.00 57.50 61.32 2pcc n TRP 59 Cb 0.47 -2.17 -0.05 0.00 -1.03 0.00 0.00 31.31 28.53 2pcc n TRP 59 CO 0.00 0.00 0.00 0.16 -0.03 0.00 0.00 177.69 177.82 2pcc s ASP 60 N -0.02 -0.51 0.07 -0.99 1.47 -1.26 -1.60 116.67 113.83 2pcc s ASP 60 Ca 0.83 0.54 0.00 0.00 1.18 0.00 0.00 52.55 55.10 2pcc s ASP 60 Cb -1.07 0.42 0.00 0.00 -0.34 0.00 0.00 42.92 41.93 2pcc s ASP 60 CO 0.54 -0.48 0.40 -1.84 0.68 0.00 0.00 175.17 174.47 2pcc n GLU 61 N 0.79 0.00 -0.06 2.11 0.00 -1.26 -1.73 120.64 120.49 2pcc n GLU 61 Ca -0.14 0.10 -0.13 0.00 0.00 0.00 0.00 57.16 56.99 2pcc n GLU 61 Cb 0.58 -1.45 -0.04 0.00 0.00 0.00 0.00 31.44 30.53 2pcc n GLU 61 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2pcc n ASN 62 N -0.88 1.15 -0.09 -1.84 3.02 -1.26 -4.22 115.26 111.15 2pcc n ASN 62 Ca 0.00 0.19 -0.02 0.00 -0.03 0.00 0.00 54.58 54.73 2pcc n ASN 62 Cb 0.40 -0.46 0.23 0.00 -0.61 0.00 0.00 39.78 39.35 2pcc n ASN 62 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2pcc h ASN 63 N -0.53 0.67 -0.53 6.41 -0.00 -1.69 -2.15 115.58 117.76 2pcc h ASN 63 Ca -0.29 -0.12 0.02 0.00 -0.00 0.00 0.00 56.30 55.91 2pcc h ASN 63 Cb 1.15 -0.18 -0.03 0.00 -0.00 0.00 0.00 38.32 39.26 2pcc h ASN 63 CO -0.18 0.68 0.32 -0.03 -0.00 0.00 0.00 177.43 178.23 2pcc h MET 64 N 0.70 0.63 0.00 4.14 4.05 -1.67 0.79 114.93 123.57 2pcc h MET 64 Ca 0.16 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.54 2pcc h MET 64 Cb 0.28 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 30.94 2pcc h MET 64 CO -0.00 0.42 0.00 0.77 0.23 0.00 0.00 176.91 178.33 2pcc h SER 65 N 0.65 0.00 0.06 1.39 0.02 -1.63 0.13 113.55 114.16 2pcc h SER 65 Ca 0.21 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.15 2pcc h SER 65 Cb -0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.53 2pcc h SER 65 CO -0.08 0.00 -0.03 -0.08 -1.14 0.00 0.00 176.83 175.50 2pcc h GLU 66 N 0.00 -0.08 -1.00 3.45 4.81 -0.30 -3.33 114.58 118.13 2pcc h GLU 66 Ca 0.00 0.01 0.37 0.00 -0.13 0.00 0.00 59.36 59.61 2pcc h GLU 66 Cb 0.46 0.02 -0.17 0.00 0.63 0.00 0.00 28.75 29.69 2pcc h GLU 66 CO 0.00 -0.05 0.51 -0.92 -0.73 0.00 0.00 179.01 177.82 2pcc h TYR 67 N -0.55 0.81 0.00 0.92 3.20 -0.90 0.25 116.97 120.70 2pcc h TYR 67 Ca -0.01 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2pcc h TYR 67 Cb 0.06 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.15 2pcc h TYR 67 CO 0.01 -0.36 0.00 1.28 -1.64 0.00 0.00 178.16 177.45 2pcc n LEU 68 N -5.19 0.63 0.12 2.82 4.77 0.43 -1.25 117.00 119.33 2pcc n LEU 68 Ca 0.34 0.62 -0.19 0.00 -0.03 0.00 0.00 56.01 56.75 2pcc n LEU 68 Cb 1.13 -0.49 -0.14 0.00 -2.33 0.00 0.00 43.42 41.59 2pcc n LEU 68 CO 0.04 -0.39 -0.11 0.74 -1.33 0.00 0.00 177.39 176.34 2pcc h THR 69 N 0.00 1.42 -0.73 -5.08 2.02 -0.60 0.85 112.91 110.78 2pcc h THR 69 Ca 0.00 -2.93 -0.14 0.00 0.77 0.00 0.00 66.41 64.12 2pcc h THR 69 Cb 0.48 2.97 -0.16 0.00 -1.74 0.00 0.00 68.15 69.70 2pcc h THR 69 CO 0.00 0.86 -0.43 -3.20 0.37 0.00 0.00 175.52 173.12 2pcc n ASN 70 N -3.60 -3.08 -0.38 4.18 2.85 -1.06 -4.09 115.26 110.08 2pcc n ASN 70 Ca -0.11 -2.69 -0.06 0.00 -0.11 0.00 0.00 54.58 51.61 2pcc n ASN 70 Cb 1.05 1.61 -0.03 0.00 1.24 0.00 0.00 39.78 43.65 2pcc n ASN 70 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 2pcc n PRO 71 N 2.68 -0.32 -0.00 1.20 -0.02 -0.38 -1.46 135.00 136.70 2pcc n PRO 71 Ca 0.16 1.43 0.01 0.00 -2.02 0.00 0.00 63.50 63.07 2pcc n PRO 71 Cb 0.58 -2.11 0.33 0.00 -0.02 0.00 0.00 33.50 32.28 2pcc n PRO 71 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2pcc h LYS 72 N 0.00 0.53 -0.37 -0.52 6.56 -1.86 0.32 116.57 121.23 2pcc h LYS 72 Ca 0.24 -0.09 -0.04 0.00 -1.06 0.00 0.00 60.65 59.70 2pcc h LYS 72 Cb 0.47 -0.09 -0.02 0.00 -0.57 0.00 0.00 32.23 32.03 2pcc h LYS 72 CO -0.91 0.51 0.08 -0.22 -2.06 0.00 0.00 179.45 176.85 2pcc h LYS 73 N 0.52 0.60 0.02 3.15 3.64 -1.65 -0.31 116.57 122.55 2pcc h LYS 73 Ca 0.12 -0.15 -0.27 0.00 -1.27 0.00 0.00 60.65 59.08 2pcc h LYS 73 Cb 0.23 -0.08 0.02 0.00 -0.41 0.00 0.00 32.23 32.00 2pcc h LYS 73 CO -0.00 0.65 -1.05 -0.92 -2.27 0.00 0.00 179.45 175.86 2pcc h TYR 74 N 0.46 1.02 -2.67 1.91 3.20 -1.17 -3.39 116.97 116.31 2pcc h TYR 74 Ca 0.12 -0.57 -0.56 0.00 3.14 0.00 0.00 58.73 60.86 2pcc h TYR 74 Cb 0.32 -0.11 -0.39 0.00 1.54 0.00 0.00 36.73 38.09 2pcc h TYR 74 CO 0.02 1.41 -0.82 0.42 -1.64 0.00 0.00 178.16 177.55 2pcc s ILE 75 N -3.25 0.06 0.01 1.81 1.01 0.11 -5.08 121.20 115.87 2pcc s ILE 75 Ca -0.10 -1.31 -0.30 0.00 0.00 0.00 0.00 60.65 58.94 2pcc s ILE 75 Cb 0.06 -1.06 -0.07 0.00 0.01 0.00 0.00 42.46 41.40 2pcc s ILE 75 CO 0.92 -0.88 1.59 -2.84 0.00 0.00 0.00 174.94 173.73 2pcc s PRO 76 N 1.51 4.21 0.00 2.79 0.02 -0.13 -1.61 135.00 141.79 2pcc s PRO 76 Ca 0.14 2.19 0.00 0.00 0.02 0.00 0.00 61.00 63.35 2pcc s PRO 76 Cb -0.20 -3.72 0.00 0.00 0.02 0.00 0.00 34.50 30.60 2pcc s PRO 76 CO -0.15 -0.73 0.00 0.41 -0.33 0.00 0.00 177.00 176.20 2pcc n GLY 77 N 3.95 0.77 3.74 0.52 0.00 -1.26 -4.76 105.19 108.16 2pcc n GLY 77 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2pcc n GLY 77 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2pcc s THR 78 N -2.00 3.84 -2.39 2.61 -1.32 -0.63 -4.69 115.64 111.07 2pcc s THR 78 Ca 0.00 1.70 0.23 0.00 -1.21 0.00 0.00 61.69 62.41 2pcc s THR 78 Cb 0.00 -4.08 0.48 0.00 -1.51 0.00 0.00 72.50 67.38 2pcc s THR 78 CO 0.00 0.34 1.59 2.29 -2.21 0.00 0.00 174.62 176.63 2pcc n LYS 79 N 1.93 1.78 -2.59 7.08 2.85 -1.26 -4.75 118.16 123.20 2pcc n LYS 79 Ca 0.01 -1.15 -0.42 0.00 -1.05 0.00 0.00 58.31 55.69 2pcc n LYS 79 Cb 0.46 -1.43 -0.02 0.00 -0.65 0.00 0.00 35.03 33.39 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 -1.85 3.52 -0.77 -1.58 1.75 -1.26 -4.95 119.30 114.15 2pcc s MET 80 Ca 0.34 0.25 -0.22 0.00 -1.25 0.00 0.00 55.69 54.81 2pcc s MET 80 Cb 0.19 -4.01 0.08 0.00 2.84 0.00 0.00 34.83 33.93 2pcc s MET 80 CO 0.29 -1.68 1.08 0.00 -0.65 0.00 0.00 175.02 174.06 2pcc s ALA 81 N 4.94 3.12 0.05 4.11 0.00 -1.26 -4.77 121.76 127.94 2pcc s ALA 81 Ca 0.43 -2.10 0.04 0.00 0.00 0.00 0.00 51.96 50.33 2pcc s ALA 81 Cb -0.07 -4.00 -0.02 0.00 0.00 0.00 0.00 23.12 19.02 2pcc s ALA 81 CO 0.25 -2.95 -0.12 0.12 0.00 0.00 0.00 175.76 173.07 2pcc s PHE 82 N 3.90 1.00 0.13 0.00 5.36 -1.26 -5.06 117.98 122.04 2pcc s PHE 82 Ca 0.28 -0.41 -0.12 0.00 -0.96 0.00 0.00 56.93 55.72 2pcc s PHE 82 Cb -0.11 -0.58 -0.06 0.00 -0.34 0.00 0.00 43.02 41.93 2pcc s PHE 82 CO 0.03 0.00 1.45 0.78 -1.46 0.00 0.00 175.22 176.03 2pcc h GLY 83 N 4.66 0.99 0.00 13.12 0.00 -1.95 -3.46 103.07 116.44 2pcc h GLY 83 Ca -0.38 -1.04 0.00 0.00 0.00 0.00 0.00 47.33 45.92 2pcc h GLY 83 CO 0.42 0.94 0.00 0.61 0.00 0.00 0.00 176.54 178.51 2pcc n GLY 84 N 0.18 3.43 3.39 4.60 0.00 -1.26 -4.82 105.19 110.70 2pcc n GLY 84 Ca -0.03 -1.69 -0.45 0.00 0.00 0.00 0.00 46.02 43.84 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 5.91 0.25 0.99 1.43 0.29 -4.91 118.68 122.64 2pcc s LEU 85 Ca 0.00 -2.31 -0.04 0.00 -1.03 0.00 0.00 54.13 50.75 2pcc s LEU 85 Cb 0.00 -2.30 0.28 0.00 0.03 0.00 0.00 46.19 44.20 2pcc s LEU 85 CO 0.00 -0.83 1.78 0.11 0.23 0.00 0.00 176.35 177.64 2pcc h LYS 86 N 8.35 0.96 -6.17 1.70 1.79 -1.84 -3.40 116.57 117.96 2pcc h LYS 86 Ca 0.10 -0.21 -0.55 0.00 -2.18 0.00 0.00 60.65 57.81 2pcc h LYS 86 Cb 1.04 -0.14 -0.04 0.00 -1.58 0.00 0.00 32.23 31.51 2pcc h LYS 86 CO 0.94 0.86 0.15 0.15 -1.08 0.00 0.00 179.45 180.46 2pcc s LYS 87 N -5.25 4.47 0.16 3.15 1.02 -1.26 -4.98 119.74 117.04 2pcc s LYS 87 Ca -0.11 1.01 -0.20 0.00 0.02 0.00 0.00 55.97 56.70 2pcc s LYS 87 Cb 0.15 -3.42 0.05 0.00 -0.52 0.00 0.00 37.83 34.10 2pcc s LYS 87 CO 0.82 0.12 1.65 0.93 -0.92 0.00 0.00 175.35 177.95 2pcc h GLU 88 N 6.40 -0.14 -0.46 1.68 5.08 -2.00 -1.97 114.58 123.17 2pcc h GLU 88 Ca -0.42 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.01 2pcc h GLU 88 Cb 1.20 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.43 2pcc h GLU 88 CO 0.74 -0.09 0.16 1.57 -1.00 0.00 0.00 179.01 180.39 2pcc h LYS 89 N -0.14 0.33 -0.01 2.33 2.10 -1.96 0.69 116.57 119.90 2pcc h LYS 89 Ca 0.16 -0.02 0.03 0.00 -2.00 0.00 0.00 60.65 58.82 2pcc h LYS 89 Cb 0.38 -0.07 -0.05 0.00 -0.90 0.00 0.00 32.23 31.59 2pcc h LYS 89 CO -0.39 0.22 -0.32 -0.44 -2.00 0.00 0.00 179.45 176.52 2pcc h ASP 90 N 0.34 -0.96 -0.35 7.07 3.32 -1.91 2.20 116.42 126.12 2pcc h ASP 90 Ca 0.22 0.13 0.08 0.00 0.02 0.00 0.00 57.03 57.47 2pcc h ASP 90 Cb 0.21 0.39 -0.08 0.00 0.22 0.00 0.00 39.33 40.07 2pcc h ASP 90 CO -0.22 -0.38 -0.24 0.03 -1.72 0.00 0.00 179.24 176.71 2pcc h ARG 91 N -0.47 -0.18 0.04 3.56 3.08 -0.44 -0.24 114.38 119.73 2pcc h ARG 91 Ca 0.06 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.15 2pcc h ARG 91 Cb 0.56 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.60 2pcc h ARG 91 CO -0.27 -0.12 -0.34 -0.91 -1.07 0.00 0.00 179.97 177.26 2pcc h ASN 92 N -0.19 -1.00 0.56 7.04 2.35 0.44 0.22 115.58 125.00 2pcc h ASN 92 Ca 0.17 0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 56.03 2pcc h ASN 92 Cb 0.46 0.39 -0.01 0.00 0.05 0.00 0.00 38.32 39.22 2pcc h ASN 92 CO -0.47 -0.41 -0.38 0.44 -1.65 0.00 0.00 177.43 174.97 2pcc h ASP 93 N -0.52 -0.98 -0.36 5.81 3.32 0.38 -1.21 116.42 122.86 2pcc h ASP 93 Ca 0.05 0.06 0.05 0.00 0.02 0.00 0.00 57.03 57.21 2pcc h ASP 93 Cb 0.58 0.30 -0.08 0.00 0.22 0.00 0.00 39.33 40.35 2pcc h ASP 93 CO -0.25 -0.56 -0.50 0.25 -1.72 0.00 0.00 179.24 176.45 2pcc h LEU 94 N -0.89 -1.66 -1.01 1.55 5.85 -0.91 0.62 115.31 118.86 2pcc h LEU 94 Ca -0.07 0.23 0.21 0.00 0.84 0.00 0.00 57.88 59.08 2pcc h LEU 94 Cb 0.72 0.69 -0.11 0.00 0.37 0.00 0.00 40.66 42.33 2pcc h LEU 94 CO 0.05 -0.41 0.61 0.40 -0.34 0.00 0.00 178.44 178.75 2pcc h ILE 95 N -0.40 0.64 0.50 4.05 1.08 -0.49 0.62 117.51 123.51 2pcc h ILE 95 Ca 0.09 -0.24 -0.02 0.00 -0.39 0.00 0.00 64.86 64.30 2pcc h ILE 95 Cb 0.61 -0.12 0.00 0.00 -3.07 0.00 0.00 36.82 34.24 2pcc h ILE 95 CO -0.56 0.13 -0.27 0.74 -0.69 0.00 0.00 178.15 177.50 2pcc h THR 96 N 0.70 0.00 -0.63 -0.27 2.02 0.98 -2.54 112.91 113.17 2pcc h THR 96 Ca 0.60 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.91 2pcc h THR 96 Cb 1.02 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 67.31 2pcc h THR 96 CO -0.42 0.00 -0.18 0.00 0.37 0.00 0.00 175.52 175.30 2pcc n TYR 97 N -4.00 0.19 0.16 3.16 9.36 0.17 -2.16 117.16 124.05 2pcc n TYR 97 Ca -0.09 0.77 -0.14 0.00 3.32 0.00 0.00 57.90 61.77 2pcc n TYR 97 Cb 0.28 -0.84 -0.07 0.00 -0.63 0.00 0.00 39.34 38.08 2pcc n TYR 97 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 2pcc h LEU 98 N 0.00 -0.42 -2.33 2.98 3.38 -0.72 -2.92 115.31 115.28 2pcc h LEU 98 Ca 0.29 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 2pcc h LEU 98 Cb 0.45 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 2pcc h LEU 98 CO -0.65 -0.26 -0.04 0.07 0.09 0.00 0.00 178.44 177.65 2pcc h LYS 99 N -0.39 0.00 0.49 1.13 2.10 -1.11 1.53 116.57 120.31 2pcc h LYS 99 Ca -0.02 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.61 2pcc h LYS 99 Cb 0.34 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.68 2pcc h LYS 99 CO -0.00 0.04 -0.23 -0.22 -2.00 0.00 0.00 179.45 177.04 2pcc h LYS 100 N 0.00 -0.63 0.00 0.07 3.11 -1.57 -3.10 116.57 114.46 2pcc h LYS 100 Ca -0.00 0.04 -0.15 0.00 -2.81 0.00 0.00 60.65 57.74 2pcc h LYS 100 Cb 0.14 0.14 -0.02 0.00 -1.00 0.00 0.00 32.23 31.49 2pcc h LYS 100 CO 0.01 -0.42 -0.70 0.00 -2.81 0.00 0.00 179.45 175.53 2pcc h ALA 101 N -1.53 0.82 0.00 5.00 0.00 -1.32 -3.09 119.26 119.14 2pcc h ALA 101 Ca -0.07 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.21 2pcc h ALA 101 Cb 0.50 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2pcc h ALA 101 CO 0.11 0.87 0.00 0.00 0.00 0.00 0.00 179.25 180.23