#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c01 s LYS 1 N 0.00 1.14 0.73 3.17 -2.85 -1.26 -4.87 119.74 115.79 2c01 s LYS 1 Ca 0.00 -1.06 -0.15 0.00 -1.00 0.00 0.00 55.97 53.77 2c01 s LYS 1 Cb 0.00 -1.32 0.04 0.00 -2.06 0.00 0.00 37.83 34.48 2c01 s LYS 1 CO 0.00 0.32 1.19 -2.14 0.10 0.00 0.00 175.35 174.81 2c01 s PRO 2 N -1.66 2.21 0.57 1.78 0.02 -1.26 -4.91 135.00 131.75 2c01 s PRO 2 Ca 0.05 1.68 0.32 0.00 0.02 0.00 0.00 61.00 63.08 2c01 s PRO 2 Cb -0.10 -1.85 1.75 0.00 0.02 0.00 0.00 34.50 34.33 2c01 s PRO 2 CO 0.03 -1.76 2.18 -1.00 -0.33 0.00 0.00 177.00 176.11 2c01 h PRO 3 N -0.31 0.00 0.00 5.54 0.13 -2.00 -2.97 132.00 132.39 2c01 h PRO 3 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2c01 h PRO 3 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2c01 h PRO 3 CO 0.50 0.05 0.00 0.00 -0.23 0.00 0.00 178.00 178.32 2c01 n GLN 4 N -3.51 0.24 -4.18 0.86 0.00 -1.26 -4.80 117.38 104.72 2c01 n GLN 4 Ca -0.02 0.07 -0.33 0.00 0.00 0.00 0.00 57.00 56.72 2c01 n GLN 4 Cb 0.17 -1.50 -0.08 0.00 0.00 0.00 0.00 30.24 28.83 2c01 n GLN 4 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 2c01 s PHE 5 N -2.70 3.20 0.67 2.61 0.40 -1.13 -5.09 117.98 115.94 2c01 s PHE 5 Ca 0.20 0.16 -0.05 0.00 -0.60 0.00 0.00 56.93 56.63 2c01 s PHE 5 Cb 0.16 -1.71 0.06 0.00 0.51 0.00 0.00 43.02 42.04 2c01 s PHE 5 CO 0.39 0.51 0.96 0.95 0.70 0.00 0.00 175.22 178.74 2c01 s THR 6 N -1.14 2.35 0.26 0.64 -4.23 -1.26 -4.86 115.64 107.40 2c01 s THR 6 Ca 0.21 -0.36 -0.05 0.00 -1.18 0.00 0.00 61.69 60.31 2c01 s THR 6 Cb -0.12 -2.99 0.24 0.00 1.34 0.00 0.00 72.50 70.97 2c01 s THR 6 CO 0.12 0.00 1.92 -0.50 -0.54 0.00 0.00 174.62 175.62 2c01 h TRP 7 N -0.46 1.19 -0.54 3.99 4.06 -1.94 -0.96 115.95 121.29 2c01 h TRP 7 Ca -0.44 0.01 -0.05 0.00 2.06 0.00 0.00 58.89 60.47 2c01 h TRP 7 Cb 1.31 -0.39 -0.02 0.00 -1.00 0.00 0.00 29.16 29.05 2c01 h TRP 7 CO 0.32 0.77 0.13 0.00 -3.56 0.00 0.00 178.44 176.11 2c01 h ALA 8 N 1.37 0.71 -0.27 1.49 0.00 -1.89 0.13 119.26 120.81 2c01 h ALA 8 Ca 0.33 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 2c01 h ALA 8 Cb -0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2c01 h ALA 8 CO -0.07 0.41 -0.20 1.96 0.00 0.00 0.00 179.25 181.35 2c01 h GLN 9 N 0.76 0.48 -0.26 0.00 4.20 -1.79 -1.07 115.11 117.43 2c01 h GLN 9 Ca 0.17 -0.16 -0.18 0.00 0.06 0.00 0.00 58.65 58.54 2c01 h GLN 9 Cb 0.34 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.08 2c01 h GLN 9 CO 0.00 0.66 -0.55 2.35 -0.67 0.00 0.00 178.83 180.63 2c01 h TRP 10 N 0.44 1.00 -0.67 2.96 -0.00 -0.91 -1.07 115.95 117.69 2c01 h TRP 10 Ca 0.07 -0.36 -0.00 0.00 -0.00 0.00 0.00 58.89 58.60 2c01 h TRP 10 Cb 0.60 -0.19 -0.03 0.00 -0.00 0.00 0.00 29.16 29.53 2c01 h TRP 10 CO 0.02 1.16 0.41 0.35 -0.00 0.00 0.00 178.44 180.38 2c01 h PHE 11 N 0.61 0.88 -0.68 2.65 3.57 -0.60 0.82 116.94 124.19 2c01 h PHE 11 Ca 0.01 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.45 2c01 h PHE 11 Cb 1.14 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 39.56 2c01 h PHE 11 CO 0.07 0.59 0.18 1.49 -2.23 0.00 0.00 178.31 178.41 2c01 h GLU 12 N 0.92 1.08 -0.52 1.11 4.81 -1.05 0.11 114.58 121.04 2c01 h GLU 12 Ca 0.24 -0.25 -0.11 0.00 -0.13 0.00 0.00 59.36 59.11 2c01 h GLU 12 Cb -0.04 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 2c01 h GLU 12 CO -0.05 0.95 -0.12 1.15 -0.73 0.00 0.00 179.01 180.21 2c01 h THR 13 N 1.01 1.27 0.05 0.32 2.02 -0.62 0.22 112.91 117.17 2c01 h THR 13 Ca 0.22 -1.27 -0.27 0.00 0.77 0.00 0.00 66.41 65.86 2c01 h THR 13 Cb 0.34 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 2c01 h THR 13 CO -0.00 0.45 -1.38 1.56 0.37 0.00 0.00 175.52 176.52 2c01 h GLN 14 N 0.88 0.10 0.00 6.66 4.20 -0.70 -3.40 115.11 122.85 2c01 h GLN 14 Ca 0.13 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2c01 h GLN 14 Cb 0.68 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.53 2c01 h GLN 14 CO 0.05 0.93 0.00 0.72 -0.67 0.00 0.00 178.83 179.86 2c01 n HIS 15 N -3.32 0.00 0.00 2.96 8.25 0.36 -4.58 115.22 118.89 2c01 n HIS 15 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 2c01 n HIS 15 Cb 1.01 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.12 2c01 n HIS 15 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2c01 n ILE 16 N -0.32 0.00 -2.65 1.59 2.08 -0.65 -0.38 119.36 119.02 2c01 n ILE 16 Ca 0.00 0.00 -0.43 0.00 0.56 0.00 0.00 62.75 62.88 2c01 n ILE 16 Cb 0.01 -1.25 0.00 0.00 -0.75 0.00 0.00 39.64 37.66 2c01 n ILE 16 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 2c01 n ASN 17 N -2.86 5.01 -4.55 4.38 3.02 -0.02 -4.84 115.26 115.40 2c01 n ASN 17 Ca 0.00 -2.97 -0.41 0.00 -0.03 0.00 0.00 54.58 51.17 2c01 n ASN 17 Cb 0.45 -1.61 -0.03 0.00 -0.61 0.00 0.00 39.78 37.98 2c01 n ASN 17 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 2c01 s MET 18 N 2.25 3.24 0.12 3.52 1.75 -1.26 -4.86 119.30 124.06 2c01 s MET 18 Ca 0.46 -0.16 0.13 0.00 -1.25 0.00 0.00 55.69 54.87 2c01 s MET 18 Cb 0.02 -4.16 0.61 0.00 2.84 0.00 0.00 34.83 34.15 2c01 s MET 18 CO 0.02 -2.08 1.40 0.25 -0.65 0.00 0.00 175.02 173.96 2c01 n THR 19 N 6.43 1.30 -3.74 10.11 -2.24 -1.26 -4.62 114.28 120.26 2c01 n THR 19 Ca 0.04 0.44 -0.14 0.00 -2.27 0.00 0.00 64.05 62.12 2c01 n THR 19 Cb 0.49 -1.36 -0.09 0.00 -2.10 0.00 0.00 70.33 67.27 2c01 n THR 19 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2c01 s SER 20 N -3.47 -0.26 0.00 3.42 0.15 -1.26 -4.94 113.70 107.33 2c01 s SER 20 Ca 0.02 0.26 0.23 0.00 0.70 0.00 0.00 55.95 57.16 2c01 s SER 20 Cb 0.06 0.42 1.09 0.00 -1.71 0.00 0.00 66.02 65.87 2c01 s SER 20 CO 0.19 -0.40 1.75 0.00 1.20 0.00 0.00 173.24 175.98 2c01 n GLN 21 N 1.56 0.18 -3.52 5.44 6.02 -1.26 -4.50 117.38 121.29 2c01 n GLN 21 Ca -0.20 0.08 -0.37 0.00 -0.01 0.00 0.00 57.00 56.51 2c01 n GLN 21 Cb 0.56 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 30.24 2c01 n GLN 21 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2c01 s GLN 22 N -2.77 4.16 0.21 -1.09 -1.52 -1.26 -5.01 119.66 112.39 2c01 s GLN 22 Ca 0.17 0.01 -0.10 0.00 -1.95 0.00 0.00 55.36 53.49 2c01 s GLN 22 Cb 0.15 -3.51 0.19 0.00 -0.22 0.00 0.00 33.01 29.63 2c01 s GLN 22 CO 0.38 0.07 1.86 0.00 -0.25 0.00 0.00 175.29 177.36 2c01 h THR 24 N 0.95 0.81 -0.11 0.00 2.02 -1.91 0.11 112.91 114.78 2c01 h THR 24 Ca 0.29 -0.16 -0.09 0.00 0.77 0.00 0.00 66.41 67.22 2c01 h THR 24 Cb -0.03 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 66.68 2c01 h THR 24 CO -0.09 0.08 -0.29 0.78 0.37 0.00 0.00 175.52 176.37 2c01 h ASN 25 N 0.46 0.45 -0.69 4.18 2.35 -1.86 -3.19 115.58 117.29 2c01 h ASN 25 Ca 0.31 -0.59 -0.02 0.00 -0.55 0.00 0.00 56.30 55.45 2c01 h ASN 25 Cb 0.35 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.56 2c01 h ASN 25 CO -0.28 0.96 0.37 0.00 -1.65 0.00 0.00 177.43 176.82 2c01 h ALA 26 N 0.50 1.31 0.00 -0.83 0.00 -0.87 -2.41 119.26 116.97 2c01 h ALA 26 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2c01 h ALA 26 Cb 0.90 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2c01 h ALA 26 CO 0.06 0.55 0.00 0.52 0.00 0.00 0.00 179.25 180.38 2c01 h MET 27 N 1.00 0.00 -0.67 0.00 2.86 -0.85 -2.97 114.93 114.30 2c01 h MET 27 Ca 0.25 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.94 2c01 h MET 27 Cb 0.06 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.68 2c01 h MET 27 CO -0.04 0.00 0.44 1.96 1.06 0.00 0.00 176.91 180.33 2c01 h GLN 28 N 0.00 0.71 0.32 1.72 4.20 -1.41 0.11 115.11 120.76 2c01 h GLN 28 Ca 0.00 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 2c01 h GLN 28 Cb 0.44 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.06 2c01 h GLN 28 CO 0.00 0.47 -0.15 0.28 -0.67 0.00 0.00 178.83 178.76 2c01 h VAL 29 N 0.74 0.71 -0.35 -0.54 2.07 -1.68 0.78 116.25 117.98 2c01 h VAL 29 Ca 0.28 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 2c01 h VAL 29 Cb 0.17 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 2c01 h VAL 29 CO -0.08 0.06 0.20 0.40 0.02 0.00 0.00 177.57 178.17 2c01 h ILE 30 N -0.59 1.14 -0.66 4.57 5.03 -1.62 -2.41 117.51 122.97 2c01 h ILE 30 Ca -0.04 -0.35 -0.08 0.00 -0.12 0.00 0.00 64.86 64.27 2c01 h ILE 30 Cb 0.43 0.72 -0.03 0.00 -3.03 0.00 0.00 36.82 34.91 2c01 h ILE 30 CO 0.07 0.14 0.09 0.78 -0.68 0.00 0.00 178.15 178.55 2c01 h ASN 31 N 0.45 1.07 0.12 1.72 2.35 -0.96 0.19 115.58 120.52 2c01 h ASN 31 Ca 0.13 -0.27 -0.06 0.00 -0.55 0.00 0.00 56.30 55.54 2c01 h ASN 31 Cb 0.05 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 2c01 h ASN 31 CO -0.02 1.07 -0.22 0.78 -1.65 0.00 0.00 177.43 177.40 2c01 h ASN 32 N 1.03 0.17 0.43 5.81 2.35 -0.73 0.26 115.58 124.90 2c01 h ASN 32 Ca 0.20 -0.04 -0.30 0.00 -0.55 0.00 0.00 56.30 55.61 2c01 h ASN 32 Cb 0.47 -0.05 0.02 0.00 0.05 0.00 0.00 38.32 38.81 2c01 h ASN 32 CO 0.02 0.40 -1.31 1.88 -1.65 0.00 0.00 177.43 176.77 2c01 h TYR 33 N 0.16 0.73 0.00 1.19 0.05 -1.05 -3.32 116.97 114.74 2c01 h TYR 33 Ca 0.03 -0.51 0.00 0.00 0.05 0.00 0.00 58.73 58.29 2c01 h TYR 33 Cb 0.48 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.18 2c01 h TYR 33 CO 0.01 1.39 -0.33 1.04 -1.05 0.00 0.00 178.16 179.22 2c01 n GLN 34 N -3.64 0.04 -3.46 4.88 6.02 0.02 -4.61 117.38 116.64 2c01 n GLN 34 Ca -0.12 0.02 -0.21 0.00 -0.01 0.00 0.00 57.00 56.68 2c01 n GLN 34 Cb 1.04 -1.53 0.07 0.00 1.02 0.00 0.00 30.24 30.83 2c01 n GLN 34 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2c01 n ARG 35 N -1.60 -6.99 -3.62 -1.09 5.12 0.90 -4.98 116.66 104.41 2c01 n ARG 35 Ca 0.06 0.73 -0.03 0.00 -1.93 0.00 0.00 57.85 56.68 2c01 n ARG 35 Cb 0.35 -5.48 -0.02 0.00 -1.16 0.00 0.00 32.46 26.15 2c01 n ARG 35 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 2c01 s ARG 36 N -6.15 0.18 -0.49 5.56 3.03 -1.08 -5.06 118.95 114.94 2c01 s ARG 36 Ca 0.51 -0.07 -0.22 0.00 2.03 0.00 0.00 55.73 57.99 2c01 s ARG 36 Cb -0.23 0.08 0.04 0.00 -1.03 0.00 0.00 34.95 33.82 2c01 s ARG 36 CO 0.64 -0.08 0.74 0.00 -1.13 0.00 0.00 175.30 175.47 2c01 n LYS 38 N 6.63 2.71 -0.30 0.00 4.81 -1.26 -4.90 118.16 125.86 2c01 n LYS 38 Ca -0.01 0.98 -0.02 0.00 -0.87 0.00 0.00 58.31 58.39 2c01 n LYS 38 Cb 0.47 -2.81 0.11 0.00 0.02 0.00 0.00 35.03 32.82 2c01 n LYS 38 CO 0.00 0.00 0.00 -0.97 1.17 0.00 0.00 177.40 177.60 2c01 h ASN 39 N 6.51 0.89 -5.03 3.14 -0.00 -1.95 -3.41 115.58 115.73 2c01 h ASN 39 Ca -0.44 -0.00 -0.06 0.00 -0.00 0.00 0.00 56.30 55.80 2c01 h ASN 39 Cb 1.21 -0.20 -0.16 0.00 -0.00 0.00 0.00 38.32 39.17 2c01 h ASN 39 CO 0.94 0.61 -0.02 0.00 -0.00 0.00 0.00 177.43 178.95 2c01 s GLN 40 N -6.10 1.00 -0.22 6.67 -2.07 -1.26 -0.50 119.66 117.18 2c01 s GLN 40 Ca -0.13 -0.34 -0.26 0.00 -1.82 0.00 0.00 55.36 52.81 2c01 s GLN 40 Cb 0.17 0.45 0.08 0.00 -1.09 0.00 0.00 33.01 32.62 2c01 s GLN 40 CO 0.79 -0.36 0.76 1.21 -1.32 0.00 0.00 175.29 176.37 2c01 s ASN 41 N -2.09 -0.68 -0.14 12.60 2.47 -0.45 -4.99 114.94 121.67 2c01 s ASN 41 Ca -0.04 1.17 -0.03 0.00 0.42 0.00 0.00 52.86 54.38 2c01 s ASN 41 Cb -0.00 1.15 -0.03 0.00 -1.45 0.00 0.00 41.25 40.91 2c01 s ASN 41 CO -0.03 -0.32 -0.03 -0.89 -3.72 0.00 0.00 177.10 172.11 2c01 s THR 42 N -0.04 4.02 -0.21 -5.21 2.01 -1.26 -0.11 115.64 114.83 2c01 s THR 42 Ca -0.02 -0.33 -0.04 0.00 0.31 0.00 0.00 61.69 61.61 2c01 s THR 42 Cb -0.04 -2.74 -0.01 0.00 0.01 0.00 0.00 72.50 69.72 2c01 s THR 42 CO 0.02 0.52 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.08 2c01 s PHE 43 N 0.03 2.98 -0.14 4.92 0.08 -0.09 -4.33 117.98 121.43 2c01 s PHE 43 Ca 0.01 -0.78 -0.21 0.00 0.12 0.00 0.00 56.93 56.07 2c01 s PHE 43 Cb -0.13 -2.10 -0.03 0.00 -0.57 0.00 0.00 43.02 40.19 2c01 s PHE 43 CO 0.02 -0.46 0.62 -0.51 -0.10 0.00 0.00 175.22 174.80 2c01 s LEU 44 N 1.34 4.22 -1.33 -0.37 1.43 0.48 -0.96 118.68 123.50 2c01 s LEU 44 Ca 0.04 0.94 -0.11 0.00 -1.03 0.00 0.00 54.13 53.97 2c01 s LEU 44 Cb -0.14 -2.91 0.13 0.00 0.03 0.00 0.00 46.19 43.29 2c01 s LEU 44 CO -0.01 -0.17 1.97 0.18 0.23 0.00 0.00 176.35 178.55 2c01 n LEU 45 N 4.39 6.66 -4.13 1.79 4.77 0.28 -4.59 117.00 126.17 2c01 n LEU 45 Ca -0.02 -4.47 -0.15 0.00 -0.03 0.00 0.00 56.01 51.34 2c01 n LEU 45 Cb 0.51 -1.54 -0.06 0.00 -2.33 0.00 0.00 43.42 40.00 2c01 n LEU 45 CO 0.45 1.26 0.06 0.28 -1.33 0.00 0.00 177.39 178.11 2c01 s THR 46 N 1.35 0.00 0.25 -5.08 -1.32 -1.26 -4.43 115.64 105.14 2c01 s THR 46 Ca 0.42 -1.70 0.02 0.00 -1.21 0.00 0.00 61.69 59.22 2c01 s THR 46 Cb 0.11 -2.56 -0.04 0.00 -1.51 0.00 0.00 72.50 68.50 2c01 s THR 46 CO -0.02 0.00 0.41 0.42 -2.21 0.00 0.00 174.62 173.22 2c01 s THR 47 N -3.33 5.21 0.25 5.08 -4.23 -1.26 -4.95 115.64 112.40 2c01 s THR 47 Ca 0.33 -0.62 -0.06 0.00 -1.18 0.00 0.00 61.69 60.16 2c01 s THR 47 Cb 0.01 -3.81 0.25 0.00 1.34 0.00 0.00 72.50 70.29 2c01 s THR 47 CO 0.20 -0.32 1.92 0.15 -0.54 0.00 0.00 174.62 176.03 2c01 h PHE 48 N 1.42 1.23 -0.98 3.99 3.57 -1.98 -1.76 116.94 122.43 2c01 h PHE 48 Ca -0.50 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.03 2c01 h PHE 48 Cb 1.21 -0.41 -0.05 0.00 2.79 0.00 0.00 35.95 39.49 2c01 h PHE 48 CO 0.51 0.75 0.62 0.00 -2.23 0.00 0.00 178.31 177.96 2c01 h ALA 49 N 1.37 1.25 -0.75 2.41 0.00 -1.99 -0.43 119.26 121.13 2c01 h ALA 49 Ca 0.37 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 2c01 h ALA 49 Cb -0.10 -0.40 -0.03 0.00 0.00 0.00 0.00 17.79 17.26 2c01 h ALA 49 CO -0.09 0.67 0.29 -0.91 0.00 0.00 0.00 179.25 179.21 2c01 h ASN 50 N 1.34 1.05 -0.42 0.00 2.35 -1.73 -1.72 115.58 116.44 2c01 h ASN 50 Ca 0.36 -0.18 -0.11 0.00 -0.55 0.00 0.00 56.30 55.82 2c01 h ASN 50 Cb -0.11 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 37.98 2c01 h ASN 50 CO -0.07 0.94 -0.15 0.58 -1.65 0.00 0.00 177.43 177.08 2c01 h VAL 51 N 1.09 1.28 -0.85 2.81 2.07 -0.79 -1.80 116.25 120.06 2c01 h VAL 51 Ca 0.25 -1.27 0.07 0.00 0.82 0.00 0.00 66.70 66.57 2c01 h VAL 51 Cb 0.23 1.21 -0.06 0.00 -1.52 0.00 0.00 31.29 31.14 2c01 h VAL 51 CO -0.02 0.43 0.52 0.58 0.02 0.00 0.00 177.57 179.10 2c01 h VAL 52 N 0.67 1.01 -0.07 2.57 2.07 -0.87 0.28 116.25 121.91 2c01 h VAL 52 Ca 0.10 -0.32 -0.07 0.00 0.82 0.00 0.00 66.70 67.23 2c01 h VAL 52 Cb 0.70 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 2c01 h VAL 52 CO 0.05 0.17 -0.28 0.78 0.02 0.00 0.00 177.57 178.31 2c01 h ASN 53 N 0.93 0.12 0.07 0.57 2.35 -0.98 -1.25 115.58 117.39 2c01 h ASN 53 Ca 0.38 -0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 56.05 2c01 h ASN 53 Cb 0.23 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 2c01 h ASN 53 CO -0.19 0.40 -0.15 0.58 -1.65 0.00 0.00 177.43 176.42 2c01 h VAL 54 N 0.11 1.17 0.00 2.81 2.07 -0.11 0.28 116.25 122.58 2c01 h VAL 54 Ca 0.02 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.76 2c01 h VAL 54 Cb 0.56 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 2c01 h VAL 54 CO 0.04 0.24 0.00 0.00 0.02 0.00 0.00 177.57 177.87 2c01 n GLY 56 N -1.06 -1.07 3.83 0.00 0.00 0.08 -4.88 105.19 102.09 2c01 n GLY 56 Ca -0.03 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 2c01 n GLY 56 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2c01 s ASN 57 N -2.64 4.51 0.39 1.61 0.01 -0.01 -4.97 114.94 113.83 2c01 s ASN 57 Ca 0.24 1.16 -0.25 0.00 -0.71 0.00 0.00 52.86 53.30 2c01 s ASN 57 Cb 0.19 -1.86 -0.12 0.00 0.41 0.00 0.00 41.25 39.87 2c01 s ASN 57 CO 0.52 -1.94 0.89 -2.65 -1.51 0.00 0.00 177.10 172.40 2c01 n PRO 58 N -3.40 1.12 -2.45 -0.60 -0.02 -1.26 -4.90 135.00 123.49 2c01 n PRO 58 Ca 0.07 0.40 -0.37 0.00 -2.02 0.00 0.00 63.50 61.59 2c01 n PRO 58 Cb 0.57 -1.84 -0.03 0.00 -0.02 0.00 0.00 33.50 32.18 2c01 n PRO 58 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 2c01 s ASN 59 N -0.76 6.56 0.15 2.55 -0.87 -1.26 -4.42 114.94 116.90 2c01 s ASN 59 Ca 0.62 2.12 -0.10 0.00 -1.57 0.00 0.00 52.86 53.94 2c01 s ASN 59 Cb -0.61 -2.59 -0.00 0.00 -0.02 0.00 0.00 41.25 38.03 2c01 s ASN 59 CO 0.58 -0.63 0.29 0.00 -2.57 0.00 0.00 177.10 174.76 2c01 s MET 60 N -2.57 1.12 0.28 -0.60 0.23 0.15 -4.99 119.30 112.92 2c01 s MET 60 Ca 0.60 -1.11 -0.29 0.00 -1.03 0.00 0.00 55.69 53.86 2c01 s MET 60 Cb -0.24 0.38 -0.10 0.00 -1.53 0.00 0.00 34.83 33.35 2c01 s MET 60 CO 0.30 -0.41 1.24 0.99 -2.03 0.00 0.00 175.02 175.11 2c01 s THR 61 N -3.94 3.08 -0.13 3.16 2.01 -1.26 -2.72 115.64 115.84 2c01 s THR 61 Ca 0.14 1.04 -0.29 0.00 0.31 0.00 0.00 61.69 62.89 2c01 s THR 61 Cb 0.03 -3.66 -0.02 0.00 0.01 0.00 0.00 72.50 68.86 2c01 s THR 61 CO -0.02 0.23 1.22 0.00 -0.69 0.00 0.00 174.62 175.36 2c01 h PRO 63 N 7.88 0.24 0.00 0.00 0.11 -1.92 -0.81 132.00 137.51 2c01 h PRO 63 Ca -0.29 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 65.62 2c01 h PRO 63 Cb 1.12 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 2c01 h PRO 63 CO 0.94 0.16 -0.88 0.66 -0.21 0.00 0.00 178.00 178.67 2c01 h SER 64 N 0.25 0.02 -3.24 -2.05 4.64 -1.91 -3.42 113.55 107.84 2c01 h SER 64 Ca 0.47 -0.02 -0.52 0.00 -0.47 0.00 0.00 61.79 61.26 2c01 h SER 64 Cb 1.43 -0.01 -0.40 0.00 -0.31 0.00 0.00 62.40 63.12 2c01 h SER 64 CO -0.13 0.89 -0.76 0.21 -0.87 0.00 0.00 176.83 176.17 2c01 s ASN 65 N -6.77 2.97 0.00 4.97 3.84 -0.31 -4.99 114.94 114.65 2c01 s ASN 65 Ca 0.00 -0.88 0.05 0.00 0.21 0.00 0.00 52.86 52.24 2c01 s ASN 65 Cb 0.11 -0.58 0.26 0.00 -0.55 0.00 0.00 41.25 40.48 2c01 s ASN 65 CO 0.80 -0.32 1.08 0.29 -2.79 0.00 0.00 177.10 176.17 2c01 n LYS 66 N 5.06 0.04 0.00 0.43 5.02 -1.25 -1.83 118.16 125.63 2c01 n LYS 66 Ca -0.08 0.31 0.10 0.00 -2.02 0.00 0.00 58.31 56.62 2c01 n LYS 66 Cb 0.47 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.96 2c01 n LYS 66 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2c01 n THR 67 N -1.38 0.00 -4.13 -0.18 -2.24 -1.26 -4.93 114.28 100.16 2c01 n THR 67 Ca 0.02 -0.24 -0.35 0.00 -2.27 0.00 0.00 64.05 61.20 2c01 n THR 67 Cb 0.05 1.22 -0.09 0.00 -2.10 0.00 0.00 70.33 69.41 2c01 n THR 67 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2c01 s ARG 68 N -2.44 3.40 -0.13 -0.78 1.81 -0.76 -5.00 118.95 115.05 2c01 s ARG 68 Ca 0.16 -0.31 0.16 0.00 -1.72 0.00 0.00 55.73 54.02 2c01 s ARG 68 Cb 0.17 -3.02 0.30 0.00 -0.45 0.00 0.00 34.95 31.94 2c01 s ARG 68 CO 0.58 0.60 1.15 1.17 -0.68 0.00 0.00 175.30 178.12 2c01 n LYS 69 N 2.49 1.19 -1.03 3.54 3.00 -1.26 -1.56 118.16 124.53 2c01 n LYS 69 Ca -0.18 -2.57 -0.09 0.00 -0.00 0.00 0.00 58.31 55.47 2c01 n LYS 69 Cb 0.54 -1.39 0.27 0.00 0.00 0.00 0.00 35.03 34.45 2c01 n LYS 69 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 2c01 n ASN 70 N -1.18 4.45 -4.95 3.14 6.94 -1.26 -4.13 115.26 118.28 2c01 n ASN 70 Ca 0.15 -3.33 -0.25 0.00 -0.02 0.00 0.00 54.58 51.13 2c01 n ASN 70 Cb 0.67 -0.75 -0.02 0.00 -2.36 0.00 0.00 39.78 37.32 2c01 n ASN 70 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2c01 s HIS 72 N -1.94 -0.21 0.07 0.00 3.76 0.34 -0.68 115.29 116.63 2c01 s HIS 72 Ca 0.36 0.51 -0.22 0.00 -0.15 0.00 0.00 55.06 55.57 2c01 s HIS 72 Cb -0.10 0.04 -0.06 0.00 1.11 0.00 0.00 32.58 33.56 2c01 s HIS 72 CO 0.30 -0.12 0.67 -1.58 -0.85 0.00 0.00 174.74 173.15 2c01 s HIS 73 N 0.45 3.78 0.58 1.40 2.46 -1.26 -1.46 115.29 121.24 2c01 s HIS 73 Ca -0.03 1.38 0.34 0.00 0.47 0.00 0.00 55.06 57.22 2c01 s HIS 73 Cb -0.04 -2.66 1.95 0.00 -0.13 0.00 0.00 32.58 31.69 2c01 s HIS 73 CO -0.02 0.44 2.26 0.66 -2.47 0.00 0.00 174.74 175.61 2c01 h SER 74 N 5.02 0.00 0.00 9.88 4.64 -1.12 -3.47 113.55 128.50 2c01 h SER 74 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2c01 h SER 74 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2c01 h SER 74 CO 0.67 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 177.26 2c01 n GLY 75 N -1.13 1.67 3.44 -0.77 0.00 -1.26 -4.88 105.19 102.25 2c01 n GLY 75 Ca -0.03 -0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.66 2c01 n GLY 75 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2c01 s SER 76 N 0.00 3.15 0.49 1.61 1.04 -1.26 -5.10 113.70 113.63 2c01 s SER 76 Ca 0.00 -1.08 -0.11 0.00 0.48 0.00 0.00 55.95 55.24 2c01 s SER 76 Cb 0.00 -0.23 -0.06 0.00 0.10 0.00 0.00 66.02 65.83 2c01 s SER 76 CO 0.00 -0.13 0.87 -1.10 0.98 0.00 0.00 173.24 173.87 2c01 s GLN 77 N -3.60 3.73 0.04 4.02 -0.21 -1.26 -4.61 119.66 117.76 2c01 s GLN 77 Ca 0.28 0.58 0.00 0.00 0.02 0.00 0.00 55.36 56.24 2c01 s GLN 77 Cb -0.01 -2.27 -0.03 0.00 1.00 0.00 0.00 33.01 31.70 2c01 s GLN 77 CO 0.12 -0.23 -0.04 0.14 -2.12 0.00 0.00 175.29 173.16 2c01 s VAL 78 N -2.67 0.27 0.52 1.09 -7.23 -0.27 -4.90 120.40 107.21 2c01 s VAL 78 Ca 0.53 -1.32 -0.19 0.00 -1.81 0.00 0.00 61.98 59.19 2c01 s VAL 78 Cb -0.10 -0.85 -0.07 0.00 0.56 0.00 0.00 36.38 35.92 2c01 s VAL 78 CO 0.39 -0.67 1.06 -2.84 -0.31 0.00 0.00 175.10 172.73 2c01 s PRO 79 N -2.48 3.61 0.18 4.82 0.02 -1.26 -1.86 135.00 138.03 2c01 s PRO 79 Ca -0.05 1.40 -0.17 0.00 0.02 0.00 0.00 61.00 62.20 2c01 s PRO 79 Cb -0.03 -2.06 0.03 0.00 0.02 0.00 0.00 34.50 32.46 2c01 s PRO 79 CO -0.04 -0.60 0.49 -0.48 -0.33 0.00 0.00 177.00 176.03 2c01 s LEU 80 N -3.73 0.19 -0.09 -5.54 0.05 0.41 -0.55 118.68 109.42 2c01 s LEU 80 Ca 0.68 -0.49 0.01 0.00 0.05 0.00 0.00 54.13 54.38 2c01 s LEU 80 Cb -0.18 2.02 0.02 0.00 -2.05 0.00 0.00 46.19 46.00 2c01 s LEU 80 CO 0.24 -1.01 -0.09 -0.63 -0.55 0.00 0.00 176.35 174.31 2c01 s ILE 81 N -3.87 1.03 -0.19 1.48 1.01 -0.13 -1.45 121.20 119.08 2c01 s ILE 81 Ca 0.09 -0.35 -0.08 0.00 0.00 0.00 0.00 60.65 60.31 2c01 s ILE 81 Cb -0.00 -1.01 -0.04 0.00 0.01 0.00 0.00 42.46 41.42 2c01 s ILE 81 CO -0.04 0.35 0.08 -2.28 0.00 0.00 0.00 174.94 173.05 2c01 s HIS 82 N 1.24 3.29 -0.15 3.97 2.46 -0.09 -0.91 115.29 125.10 2c01 s HIS 82 Ca -0.04 0.14 -0.06 0.00 0.47 0.00 0.00 55.06 55.57 2c01 s HIS 82 Cb -0.14 -2.10 -0.04 0.00 -0.13 0.00 0.00 32.58 30.17 2c01 s HIS 82 CO -0.03 0.19 0.04 0.00 -2.47 0.00 0.00 174.74 172.47 2c01 s ASN 84 N -0.07 2.33 0.06 0.00 0.01 -0.84 -1.35 114.94 115.08 2c01 s ASN 84 Ca 0.06 -0.41 -0.31 0.00 -0.71 0.00 0.00 52.86 51.49 2c01 s ASN 84 Cb -0.12 -1.06 -0.07 0.00 0.41 0.00 0.00 41.25 40.40 2c01 s ASN 84 CO 0.01 0.06 1.54 -0.22 -1.51 0.00 0.00 177.10 176.99 2c01 s LEU 85 N 0.69 4.35 -0.08 0.60 2.96 0.34 -0.67 118.68 126.87 2c01 s LEU 85 Ca -0.13 2.36 0.10 0.00 -0.22 0.00 0.00 54.13 56.24 2c01 s LEU 85 Cb -0.16 -3.57 -0.14 0.00 0.50 0.00 0.00 46.19 42.82 2c01 s LEU 85 CO 0.03 -0.81 0.08 0.35 -1.32 0.00 0.00 176.35 174.69 2c01 n THR 86 N 4.58 0.56 -3.67 3.68 -2.24 -0.11 -4.91 114.28 112.17 2c01 n THR 86 Ca 0.14 -0.40 -0.30 0.00 -2.27 0.00 0.00 64.05 61.23 2c01 n THR 86 Cb 0.41 -0.51 -0.15 0.00 -2.10 0.00 0.00 70.33 67.99 2c01 n THR 86 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2c01 s THR 87 N -2.37 0.67 0.89 4.28 2.01 -1.09 -4.98 115.64 115.06 2c01 s THR 87 Ca -0.05 -1.38 -0.11 0.00 0.31 0.00 0.00 61.69 60.47 2c01 s THR 87 Cb 0.04 -1.51 0.13 0.00 0.01 0.00 0.00 72.50 71.17 2c01 s THR 87 CO 0.44 -0.73 1.10 -2.84 -0.69 0.00 0.00 174.62 171.90 2c01 s PRO 88 N 1.58 1.26 -0.34 4.92 0.02 -1.26 -2.85 135.00 138.33 2c01 s PRO 88 Ca 0.11 1.17 -0.01 0.00 0.02 0.00 0.00 61.00 62.29 2c01 s PRO 88 Cb -0.18 -1.78 0.28 0.00 0.02 0.00 0.00 34.50 32.84 2c01 s PRO 88 CO -0.24 -2.34 1.23 0.45 -0.33 0.00 0.00 177.00 175.77 2c01 n SER 89 N -3.99 -1.44 0.28 2.53 2.88 -1.26 -4.81 113.62 107.81 2c01 n SER 89 Ca 0.09 -1.95 0.12 0.00 -1.33 0.00 0.00 58.87 55.80 2c01 n SER 89 Cb 0.53 0.88 0.80 0.00 -0.75 0.00 0.00 64.21 65.68 2c01 n SER 89 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2c01 h PRO 90 N 3.09 0.00 0.00 -1.46 0.13 -1.96 -1.91 132.00 129.88 2c01 h PRO 90 Ca -0.24 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.75 2c01 h PRO 90 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2c01 h PRO 90 CO -0.12 0.01 -0.68 -0.56 -0.23 0.00 0.00 178.00 176.42 2c01 h GLN 91 N 0.00 0.00 -1.90 0.86 -0.00 -2.01 -3.40 115.11 108.66 2c01 h GLN 91 Ca -0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 58.65 58.26 2c01 h GLN 91 Cb 0.01 0.00 -0.30 0.00 -0.00 0.00 0.00 27.48 27.19 2c01 h GLN 91 CO 0.00 0.68 -0.74 1.21 -0.00 0.00 0.00 178.83 179.98 2c01 s ASN 92 N -6.60 0.77 0.63 0.06 3.04 -0.78 -5.01 114.94 107.05 2c01 s ASN 92 Ca 0.01 -2.05 0.31 0.00 0.04 0.00 0.00 52.86 51.18 2c01 s ASN 92 Cb 0.10 0.51 1.70 0.00 -1.54 0.00 0.00 41.25 42.03 2c01 s ASN 92 CO 0.76 -0.19 2.03 0.16 -3.04 0.00 0.00 177.10 176.82 2c01 h ILE 93 N 4.90 0.22 0.00 -5.21 3.07 -1.63 -0.51 117.51 118.36 2c01 h ILE 93 Ca 0.12 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.53 2c01 h ILE 93 Cb 1.02 0.75 0.00 0.00 -0.27 0.00 0.00 36.82 38.32 2c01 h ILE 93 CO 0.21 0.00 0.00 0.77 -1.05 0.00 0.00 178.15 178.08 2c01 h SER 94 N 0.00 0.00 0.23 2.16 4.64 -1.95 -2.37 113.55 116.26 2c01 h SER 94 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2c01 h SER 94 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 2c01 h SER 94 CO -0.00 0.00 -0.22 0.59 -0.87 0.00 0.00 176.83 176.33 2c01 n ASN 95 N -2.52 0.99 -4.75 4.97 4.13 -0.20 -4.91 115.26 112.97 2c01 n ASN 95 Ca 0.01 -0.90 -0.41 0.00 1.68 0.00 0.00 54.58 54.96 2c01 n ASN 95 Cb 0.21 0.10 -0.02 0.00 -1.54 0.00 0.00 39.78 38.52 2c01 n ASN 95 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2c01 s ARG 97 N -0.83 1.51 0.12 0.00 0.52 -1.13 -4.92 118.95 114.21 2c01 s ARG 97 Ca 0.54 -1.38 0.04 0.00 -0.52 0.00 0.00 55.73 54.41 2c01 s ARG 97 Cb -0.39 -1.92 -0.04 0.00 0.52 0.00 0.00 34.95 33.12 2c01 s ARG 97 CO 0.45 0.44 -0.10 0.71 0.02 0.00 0.00 175.30 176.82 2c01 s TYR 98 N -1.28 1.13 0.19 -0.53 1.51 -1.26 -0.93 117.35 116.18 2c01 s TYR 98 Ca 0.17 -0.73 0.04 0.00 -1.01 0.00 0.00 57.07 55.54 2c01 s TYR 98 Cb -0.09 -0.60 -0.03 0.00 -0.11 0.00 0.00 41.96 41.12 2c01 s TYR 98 CO 0.08 0.02 0.27 0.00 -1.11 0.00 0.00 175.55 174.81 2c01 s ALA 99 N -2.93 3.84 -0.05 3.71 0.00 0.16 -4.42 121.76 122.07 2c01 s ALA 99 Ca 0.11 -1.17 0.05 0.00 0.00 0.00 0.00 51.96 50.94 2c01 s ALA 99 Cb 0.00 -1.64 -0.00 0.00 0.00 0.00 0.00 23.12 21.48 2c01 s ALA 99 CO -0.00 0.41 -0.19 1.14 0.00 0.00 0.00 175.76 177.12 2c01 s GLN 100 N -3.50 1.96 -0.23 0.00 0.00 -1.26 -1.98 119.66 114.64 2c01 s GLN 100 Ca 0.34 -0.66 0.01 0.00 -0.00 0.00 0.00 55.36 55.04 2c01 s GLN 100 Cb -0.10 -1.68 0.06 0.00 0.00 0.00 0.00 33.01 31.29 2c01 s GLN 100 CO 0.27 0.26 -0.06 0.99 0.00 0.00 0.00 175.29 176.75 2c01 s THR 101 N 0.04 1.57 0.25 3.63 2.01 -0.16 -4.96 115.64 118.03 2c01 s THR 101 Ca -0.05 -1.22 -0.21 0.00 0.31 0.00 0.00 61.69 60.52 2c01 s THR 101 Cb -0.12 -1.81 -0.09 0.00 0.01 0.00 0.00 72.50 70.49 2c01 s THR 101 CO 0.03 -0.07 0.78 -2.16 -0.69 0.00 0.00 174.62 172.51 2c01 s PRO 102 N 1.38 4.33 0.26 4.92 0.04 -1.26 -0.92 135.00 143.75 2c01 s PRO 102 Ca -0.06 0.99 -0.21 0.00 0.04 0.00 0.00 61.00 61.75 2c01 s PRO 102 Cb -0.19 -2.84 0.03 0.00 0.04 0.00 0.00 34.50 31.54 2c01 s PRO 102 CO -0.06 0.35 0.73 0.00 0.04 0.00 0.00 177.00 178.06 2c01 s ALA 103 N -1.57 -1.29 -0.22 8.56 0.00 -0.53 -4.99 121.76 121.73 2c01 s ALA 103 Ca 0.45 -0.20 0.01 0.00 0.00 0.00 0.00 51.96 52.22 2c01 s ALA 103 Cb -0.17 0.84 0.05 0.00 0.00 0.00 0.00 23.12 23.84 2c01 s ALA 103 CO 0.21 -1.01 -0.06 -0.80 0.00 0.00 0.00 175.76 174.10 2c01 s ASN 104 N -2.90 3.66 0.18 0.00 -0.87 -1.26 -0.44 114.94 113.30 2c01 s ASN 104 Ca 0.10 -1.07 -0.04 0.00 -1.57 0.00 0.00 52.86 50.28 2c01 s ASN 104 Cb -0.05 -1.17 -0.03 0.00 -0.02 0.00 0.00 41.25 39.98 2c01 s ASN 104 CO 0.05 -0.21 0.18 -0.04 -2.57 0.00 0.00 177.10 174.50 2c01 s MET 105 N 1.41 1.14 0.52 -0.60 -1.94 -0.78 -4.86 119.30 114.21 2c01 s MET 105 Ca -0.04 -1.44 -0.04 0.00 -1.71 0.00 0.00 55.69 52.46 2c01 s MET 105 Cb -0.18 0.30 -0.01 0.00 2.01 0.00 0.00 34.83 36.96 2c01 s MET 105 CO -0.07 -0.38 0.81 -0.06 -0.01 0.00 0.00 175.02 175.31 2c01 s PHE 106 N -4.07 3.33 0.05 -0.03 0.08 0.64 -1.11 117.98 116.86 2c01 s PHE 106 Ca 0.28 0.58 -0.03 0.00 0.12 0.00 0.00 56.93 57.87 2c01 s PHE 106 Cb 0.06 -2.51 -0.02 0.00 -0.57 0.00 0.00 43.02 39.97 2c01 s PHE 106 CO 0.06 -0.55 0.04 1.52 -0.10 0.00 0.00 175.22 176.18 2c01 s TYR 107 N -2.81 0.35 -0.12 0.36 1.13 -1.26 -0.56 117.35 114.44 2c01 s TYR 107 Ca 0.51 -0.78 0.01 0.00 -1.41 0.00 0.00 57.07 55.40 2c01 s TYR 107 Cb -0.10 -0.25 0.02 0.00 -1.10 0.00 0.00 41.96 40.52 2c01 s TYR 107 CO 0.43 -0.38 -0.15 0.42 -2.51 0.00 0.00 175.55 173.37 2c01 s ILE 108 N -3.24 1.53 0.11 -3.49 1.01 0.20 -0.47 121.20 116.84 2c01 s ILE 108 Ca 0.01 -0.64 0.10 0.00 0.00 0.00 0.00 60.65 60.11 2c01 s ILE 108 Cb 0.03 -1.41 -0.04 0.00 0.01 0.00 0.00 42.46 41.05 2c01 s ILE 108 CO -0.08 0.45 -0.24 0.68 0.00 0.00 0.00 174.94 175.75 2c01 s VAL 109 N 1.13 2.41 -0.13 2.92 -7.23 -0.53 -1.17 120.40 117.81 2c01 s VAL 109 Ca -0.03 -1.61 -0.11 0.00 -1.81 0.00 0.00 61.98 58.42 2c01 s VAL 109 Cb -0.14 -2.06 -0.05 0.00 0.56 0.00 0.00 36.38 34.69 2c01 s VAL 109 CO -0.04 0.15 0.23 0.00 -0.31 0.00 0.00 175.10 175.12 2c01 s ALA 110 N -1.03 3.73 0.10 1.32 0.00 -0.35 -0.50 121.76 125.02 2c01 s ALA 110 Ca 0.15 -0.53 0.07 0.00 0.00 0.00 0.00 51.96 51.65 2c01 s ALA 110 Cb -0.10 -2.20 -0.03 0.00 0.00 0.00 0.00 23.12 20.78 2c01 s ALA 110 CO 0.06 0.35 -0.17 0.00 0.00 0.00 0.00 175.76 176.00 2c01 s ASP 112 N -2.05 0.39 0.52 0.00 1.01 -0.53 -4.86 116.67 111.15 2c01 s ASP 112 Ca 0.06 -1.39 -0.20 0.00 0.71 0.00 0.00 52.55 51.72 2c01 s ASP 112 Cb -0.09 0.45 -0.06 0.00 1.01 0.00 0.00 42.92 44.24 2c01 s ASP 112 CO 0.04 -0.94 1.15 0.20 0.21 0.00 0.00 175.17 175.82 2c01 s ASN 113 N -3.18 5.81 0.98 0.27 0.01 -1.26 -1.26 114.94 116.31 2c01 s ASN 113 Ca 0.36 2.24 -0.11 0.00 -0.71 0.00 0.00 52.86 54.64 2c01 s ASN 113 Cb 0.05 -2.59 0.18 0.00 0.41 0.00 0.00 41.25 39.30 2c01 s ASN 113 CO 0.14 -1.16 1.10 0.00 -1.51 0.00 0.00 177.10 175.67 2c01 s ARG 114 N -3.11 0.49 -0.22 -0.60 1.70 0.26 -4.79 118.95 112.68 2c01 s ARG 114 Ca 0.70 1.21 -0.29 0.00 -0.47 0.00 0.00 55.73 56.88 2c01 s ARG 114 Cb -0.26 -1.69 -0.02 0.00 -0.57 0.00 0.00 34.95 32.41 2c01 s ARG 114 CO 0.30 -2.88 1.55 0.34 -1.08 0.00 0.00 175.30 173.53 2c01 s ASP 115 N -2.76 6.47 0.18 -2.89 -1.08 -1.26 -4.90 116.67 110.43 2c01 s ASP 115 Ca 0.66 1.59 -0.14 0.00 -0.52 0.00 0.00 52.55 54.14 2c01 s ASP 115 Cb -0.23 -2.53 0.18 0.00 -1.46 0.00 0.00 42.92 38.88 2c01 s ASP 115 CO 0.60 -1.19 1.69 -0.61 0.52 0.00 0.00 175.17 176.18 2c01 h GLN 116 N 10.32 0.14 0.00 4.34 -0.00 -1.91 -1.28 115.11 126.72 2c01 h GLN 116 Ca -0.32 -0.01 -0.15 0.00 -0.00 0.00 0.00 58.65 58.17 2c01 h GLN 116 Cb 1.14 -0.03 -0.02 0.00 0.00 0.00 0.00 27.48 28.57 2c01 h GLN 116 CO 1.00 0.09 -0.91 0.00 0.00 0.00 0.00 178.83 179.01 2c01 h ARG 117 N 0.14 0.00 0.00 1.69 -0.00 -2.04 -3.42 114.38 110.76 2c01 h ARG 117 Ca 0.24 0.00 -0.03 0.00 -0.50 0.00 0.00 59.98 59.69 2c01 h ARG 117 Cb 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.32 2c01 h ARG 117 CO -0.38 0.53 -1.22 0.54 0.00 0.00 0.00 179.97 179.44 2c01 n ARG 118 N -3.14 1.68 -2.88 0.04 1.74 -1.17 -5.02 116.66 107.91 2c01 n ARG 118 Ca -0.03 -0.02 -0.37 0.00 -0.77 0.00 0.00 57.85 56.67 2c01 n ARG 118 Cb 0.82 -1.10 -0.06 0.00 -1.02 0.00 0.00 32.46 31.10 2c01 n ARG 118 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2c01 s ASP 119 N -2.95 7.25 0.33 0.55 1.01 -0.49 -5.01 116.67 117.36 2c01 s ASP 119 Ca -0.02 1.70 -0.29 0.00 0.71 0.00 0.00 52.55 54.66 2c01 s ASP 119 Cb 0.02 -2.53 -0.10 0.00 1.01 0.00 0.00 42.92 41.32 2c01 s ASP 119 CO 0.16 -0.03 1.39 -2.16 0.21 0.00 0.00 175.17 174.74 2c01 s PRO 120 N -2.00 4.26 0.50 8.23 0.04 -1.26 -4.83 135.00 139.94 2c01 s PRO 120 Ca 0.48 2.34 0.32 0.00 0.04 0.00 0.00 61.00 64.18 2c01 s PRO 120 Cb -0.18 -3.05 1.76 0.00 0.04 0.00 0.00 34.50 33.07 2c01 s PRO 120 CO 0.23 -0.34 1.99 -1.00 0.04 0.00 0.00 177.00 177.92 2c01 h PRO 121 N 3.66 0.00 -0.98 0.56 0.13 -1.94 -2.90 132.00 130.52 2c01 h PRO 121 Ca -0.49 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 64.84 2c01 h PRO 121 Cb 1.23 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.27 2c01 h PRO 121 CO 0.68 0.00 0.61 0.37 -0.23 0.00 0.00 178.00 179.43 2c01 h GLN 122 N 0.00 0.63 -4.17 0.86 4.15 -2.04 -3.33 115.11 111.21 2c01 h GLN 122 Ca 0.00 -0.04 -0.66 0.00 0.77 0.00 0.00 58.65 58.72 2c01 h GLN 122 Cb 0.05 -0.14 -0.40 0.00 0.21 0.00 0.00 27.48 27.21 2c01 h GLN 122 CO 0.00 0.42 -0.65 0.71 -1.93 0.00 0.00 178.83 177.37 2c01 s TYR 123 N -5.71 3.54 0.40 3.99 2.02 -1.10 -4.96 117.35 115.53 2c01 s TYR 123 Ca -0.10 -3.00 0.11 0.00 -0.37 0.00 0.00 57.07 53.71 2c01 s TYR 123 Cb 0.24 -2.94 0.85 0.00 -0.40 0.00 0.00 41.96 39.71 2c01 s TYR 123 CO 0.80 -0.88 1.94 -1.00 -1.57 0.00 0.00 175.55 174.84 2c01 h PRO 124 N 7.24 0.18 -5.33 -1.71 0.13 -1.83 -3.42 132.00 127.27 2c01 h PRO 124 Ca -0.06 -0.04 -0.67 0.00 -0.87 0.00 0.00 66.00 64.36 2c01 h PRO 124 Cb 0.98 -0.03 -0.31 0.00 0.13 0.00 0.00 31.00 31.77 2c01 h PRO 124 CO 0.60 0.32 -0.84 0.08 -0.23 0.00 0.00 178.00 177.94 2c01 s VAL 125 N -4.73 2.44 0.07 1.56 1.01 -1.26 -0.58 120.40 118.91 2c01 s VAL 125 Ca -0.05 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.07 2c01 s VAL 125 Cb 0.16 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 2c01 s VAL 125 CO 0.72 0.55 -0.07 0.68 0.00 0.00 0.00 175.10 176.98 2c01 s VAL 126 N 0.35 0.61 0.26 2.92 -7.23 -0.39 -4.91 120.40 112.01 2c01 s VAL 126 Ca -0.16 -1.47 -0.30 0.00 -1.81 0.00 0.00 61.98 58.25 2c01 s VAL 126 Cb -0.17 -1.10 -0.09 0.00 0.56 0.00 0.00 36.38 35.57 2c01 s VAL 126 CO 0.08 -0.60 1.07 -2.16 -0.31 0.00 0.00 175.10 173.17 2c01 s PRO 127 N -2.61 4.68 0.00 4.82 0.04 -1.26 -1.45 135.00 139.21 2c01 s PRO 127 Ca 0.00 1.73 0.00 0.00 0.04 0.00 0.00 61.00 62.77 2c01 s PRO 127 Cb -0.03 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.29 2c01 s PRO 127 CO -0.02 0.25 0.10 1.33 0.04 0.00 0.00 177.00 178.71 2c01 n VAL 128 N 1.44 0.00 -3.61 -0.36 0.24 0.15 -4.07 118.33 112.13 2c01 n VAL 128 Ca -0.01 -0.31 -0.14 0.00 -2.04 0.00 0.00 64.34 61.85 2c01 n VAL 128 Cb 0.45 1.13 -0.07 0.00 -1.47 0.00 0.00 33.84 33.89 2c01 n VAL 128 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2c01 s HIS 129 N -0.41 -0.67 -0.47 6.34 5.65 -1.17 -4.74 115.29 119.82 2c01 s HIS 129 Ca 0.00 1.53 -0.13 0.00 0.25 0.00 0.00 55.06 56.71 2c01 s HIS 129 Cb 0.00 0.33 0.09 0.00 -1.18 0.00 0.00 32.58 31.82 2c01 s HIS 129 CO 0.00 -0.39 0.37 -1.17 -0.65 0.00 0.00 174.74 172.90 2c01 s LEU 130 N -0.05 5.62 0.08 8.88 2.96 -1.26 -1.22 118.68 133.69 2c01 s LEU 130 Ca -0.02 -1.56 -0.14 0.00 -0.22 0.00 0.00 54.13 52.20 2c01 s LEU 130 Cb -0.04 -2.11 -0.21 0.00 0.50 0.00 0.00 46.19 44.34 2c01 s LEU 130 CO 0.01 -0.67 1.22 -0.78 -1.32 0.00 0.00 176.35 174.82 2c01 h ASP 131 N 8.64 0.90 -4.33 3.68 1.82 -1.49 -3.49 116.42 122.16 2c01 h ASP 131 Ca -0.26 -0.70 0.14 0.00 -0.39 0.00 0.00 57.03 55.82 2c01 h ASP 131 Cb 1.09 -0.27 -0.19 0.00 0.68 0.00 0.00 39.33 40.64 2c01 h ASP 131 CO 0.87 1.48 0.61 -0.60 -1.61 0.00 0.00 179.24 179.99 2c01 s ARG 132 N -3.45 0.59 -0.02 0.28 3.52 -1.06 -4.68 118.95 114.13 2c01 s ARG 132 Ca -0.10 -0.12 0.07 0.00 -0.13 0.00 0.00 55.73 55.45 2c01 s ARG 132 Cb 0.07 0.28 -0.02 0.00 -1.56 0.00 0.00 34.95 33.72 2c01 s ARG 132 CO 0.91 -0.24 -0.22 0.96 -0.81 0.00 0.00 175.30 175.90 2c01 s ILE 133 N -2.31 1.76 0.00 4.11 -4.36 -1.26 -0.63 121.20 118.51 2c01 s ILE 133 Ca 0.04 -0.95 0.00 0.00 -0.26 0.00 0.00 60.65 59.48 2c01 s ILE 133 Cb -0.01 -1.47 0.00 0.00 1.25 0.00 0.00 42.46 42.23 2c01 s ILE 133 CO -0.05 0.50 0.28 -0.38 0.24 0.00 0.00 174.94 175.53