#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c41 h ALA 3 N 0.00 1.96 -0.14 7.33 0.00 -2.08 0.19 119.26 126.51 2c41 h ALA 3 Ca 0.00 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 2c41 h ALA 3 Cb 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2c41 h ALA 3 CO 0.00 0.04 -0.69 1.15 0.00 0.00 0.00 179.25 179.75 2c41 h THR 4 N 0.04 1.33 -0.00 0.00 2.02 -2.07 -3.35 112.91 110.87 2c41 h THR 4 Ca 0.01 -1.98 0.00 0.00 0.77 0.00 0.00 66.41 65.21 2c41 h THR 4 Cb 0.02 1.96 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 2c41 h THR 4 CO -0.00 0.61 -0.53 0.35 0.37 0.00 0.00 175.52 176.32 2c41 n THR 5 N -3.91 0.00 -0.14 3.16 -2.24 -1.09 -4.71 114.28 105.36 2c41 n THR 5 Ca -0.05 -0.24 -0.06 0.00 -2.27 0.00 0.00 64.05 61.43 2c41 n THR 5 Cb 0.69 1.04 0.02 0.00 -2.10 0.00 0.00 70.33 69.98 2c41 n THR 5 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2c41 h THR 6 N 0.35 1.03 -0.79 4.28 1.03 -1.10 -0.52 112.91 117.20 2c41 h THR 6 Ca 0.00 -0.18 -0.01 0.00 -0.01 0.00 0.00 66.41 66.21 2c41 h THR 6 Cb 0.34 0.47 -0.04 0.00 -1.07 0.00 0.00 68.15 67.85 2c41 h THR 6 CO 0.00 0.10 0.47 -0.07 -0.01 0.00 0.00 175.52 176.00 2c41 h LEU 7 N 0.52 0.95 -0.72 0.00 3.38 -1.84 0.16 115.31 117.77 2c41 h LEU 7 Ca 0.18 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 2c41 h LEU 7 Cb 0.03 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 2c41 h LEU 7 CO -0.09 0.75 -0.39 0.11 0.09 0.00 0.00 178.44 178.91 2c41 h LYS 8 N 1.08 0.53 -0.52 1.13 1.57 -1.80 0.18 116.57 118.74 2c41 h LYS 8 Ca 0.28 -0.26 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2c41 h LYS 8 Cb -0.02 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 2c41 h LYS 8 CO -0.05 0.83 0.31 0.93 -0.57 0.00 0.00 179.45 180.90 2c41 h GLU 9 N 0.44 0.71 -0.90 3.15 5.08 -0.53 -2.19 114.58 120.34 2c41 h GLU 9 Ca 0.04 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2c41 h GLU 9 Cb 0.87 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.93 2c41 h GLU 9 CO 0.07 0.53 0.56 1.96 -1.00 0.00 0.00 179.01 181.13 2c41 h GLN 10 N 0.70 1.21 -0.40 2.33 4.20 -0.30 -1.80 115.11 121.05 2c41 h GLN 10 Ca 0.19 -0.10 0.03 0.00 0.06 0.00 0.00 58.65 58.83 2c41 h GLN 10 Cb 0.01 -0.26 -0.03 0.00 0.30 0.00 0.00 27.48 27.49 2c41 h GLN 10 CO -0.03 0.83 0.20 0.28 -0.67 0.00 0.00 178.83 179.44 2c41 h VAL 11 N 1.23 0.99 -0.96 -0.54 2.07 -0.67 -1.47 116.25 116.91 2c41 h VAL 11 Ca 0.33 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.73 2c41 h VAL 11 Cb -0.08 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.18 2c41 h VAL 11 CO -0.06 0.08 0.63 -0.07 0.02 0.00 0.00 177.57 178.16 2c41 h LEU 12 N 0.41 1.07 -0.63 2.57 3.38 -0.96 -1.29 115.31 119.86 2c41 h LEU 12 Ca 0.17 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.14 2c41 h LEU 12 Cb 0.06 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 2c41 h LEU 12 CO -0.11 0.75 0.39 0.74 0.09 0.00 0.00 178.44 180.30 2c41 h THR 13 N 1.25 1.10 -0.84 0.22 2.02 -0.83 -2.06 112.91 113.76 2c41 h THR 13 Ca 0.37 -0.27 -0.03 0.00 0.77 0.00 0.00 66.41 67.25 2c41 h THR 13 Cb -0.06 0.25 -0.04 0.00 -1.74 0.00 0.00 68.15 66.56 2c41 h THR 13 CO -0.10 0.14 0.42 0.71 0.37 0.00 0.00 175.52 177.06 2c41 h THR 14 N 0.78 1.26 -0.55 3.16 1.35 -0.39 -2.51 112.91 116.01 2c41 h THR 14 Ca 0.25 -0.69 -0.08 0.00 -0.55 0.00 0.00 66.41 65.33 2c41 h THR 14 Cb -0.01 0.16 -0.02 0.00 -1.73 0.00 0.00 68.15 66.55 2c41 h THR 14 CO -0.09 0.30 0.02 -0.07 -0.25 0.00 0.00 175.52 175.43 2c41 h LEU 15 N 1.19 0.89 -0.28 3.87 3.38 -0.75 0.56 115.31 124.17 2c41 h LEU 15 Ca 0.29 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2c41 h LEU 15 Cb 0.09 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2c41 h LEU 15 CO -0.04 0.94 0.10 0.11 0.09 0.00 0.00 178.44 179.64 2c41 h LYS 16 N 0.86 0.43 -0.27 1.13 1.57 -1.16 0.18 116.57 119.31 2c41 h LYS 16 Ca 0.16 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2c41 h LYS 16 Cb 0.48 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 2c41 h LYS 16 CO 0.02 0.47 0.16 -0.09 -0.57 0.00 0.00 179.45 179.44 2c41 h ARG 17 N 0.30 0.38 -0.52 3.15 2.43 -1.19 -0.55 114.38 118.38 2c41 h ARG 17 Ca 0.09 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.19 2c41 h ARG 17 Cb 0.21 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 2c41 h ARG 17 CO -0.01 0.32 0.19 0.93 -1.51 0.00 0.00 179.97 179.89 2c41 h GLU 18 N 0.33 0.79 -0.18 0.20 4.39 -0.75 0.03 114.58 119.38 2c41 h GLU 18 Ca 0.10 -0.15 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 2c41 h GLU 18 Cb 0.04 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 2c41 h GLU 18 CO -0.02 0.70 0.10 0.37 -1.16 0.00 0.00 179.01 179.01 2c41 h GLN 19 N 0.70 0.26 -0.76 2.33 4.15 -0.51 -0.77 115.11 120.50 2c41 h GLN 19 Ca 0.17 -0.03 0.04 0.00 0.77 0.00 0.00 58.65 59.60 2c41 h GLN 19 Cb 0.22 -0.05 -0.05 0.00 0.21 0.00 0.00 27.48 27.81 2c41 h GLN 19 CO -0.01 0.26 0.47 0.00 -1.93 0.00 0.00 178.83 177.62 2c41 h ALA 20 N 0.99 1.02 -0.95 3.38 0.00 -0.91 -1.87 119.26 120.91 2c41 h ALA 20 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2c41 h ALA 20 Cb 0.08 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 2c41 h ALA 20 CO -0.01 0.24 0.60 -0.91 0.00 0.00 0.00 179.25 179.17 2c41 h ASN 21 N 0.90 1.12 -0.63 0.00 -0.26 -0.63 -1.62 115.58 114.45 2c41 h ASN 21 Ca 0.32 -0.05 -0.03 0.00 -0.56 0.00 0.00 56.30 55.98 2c41 h ASN 21 Cb 0.08 -0.28 -0.03 0.00 -1.06 0.00 0.00 38.32 37.03 2c41 h ASN 21 CO -0.14 0.83 0.29 0.00 -1.06 0.00 0.00 177.43 177.35 2c41 h ALA 22 N 1.36 0.82 -0.01 -0.83 0.00 -0.41 0.93 119.26 121.13 2c41 h ALA 22 Ca 0.34 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2c41 h ALA 22 Cb -0.10 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 2c41 h ALA 22 CO -0.07 0.40 0.01 0.28 0.00 0.00 0.00 179.25 179.87 2c41 h VAL 23 N 0.88 1.10 -0.49 0.00 2.07 -0.98 0.07 116.25 118.89 2c41 h VAL 23 Ca 0.22 -0.30 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 2c41 h VAL 23 Cb 0.15 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 2c41 h VAL 23 CO -0.02 0.08 0.03 0.58 0.02 0.00 0.00 177.57 178.26 2c41 h VAL 24 N -0.10 1.26 -0.77 2.57 2.07 -1.19 -1.33 116.25 118.76 2c41 h VAL 24 Ca 0.00 -1.01 -0.00 0.00 0.82 0.00 0.00 66.70 66.51 2c41 h VAL 24 Cb 0.12 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 2c41 h VAL 24 CO -0.00 0.36 0.47 -0.03 0.02 0.00 0.00 177.57 178.38 2c41 h MET 25 N 0.71 1.05 0.09 1.57 -1.53 -0.77 0.16 114.93 116.22 2c41 h MET 25 Ca 0.14 -0.10 -0.00 0.00 -3.44 0.00 0.00 59.70 56.30 2c41 h MET 25 Cb 0.46 -0.22 0.00 0.00 -0.55 0.00 0.00 31.60 31.29 2c41 h MET 25 CO 0.02 0.74 -0.04 -0.92 0.14 0.00 0.00 176.91 176.84 2c41 h TYR 26 N 1.06 -0.11 -0.56 1.39 3.20 -0.76 -0.88 116.97 120.31 2c41 h TYR 26 Ca 0.28 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.10 2c41 h TYR 26 Cb -0.04 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.24 2c41 h TYR 26 CO -0.01 -0.07 0.19 -0.07 -1.64 0.00 0.00 178.16 176.56 2c41 h LEU 27 N -0.13 0.76 -0.32 2.82 3.38 -0.89 -1.16 115.31 119.76 2c41 h LEU 27 Ca -0.01 -0.11 0.04 0.00 0.09 0.00 0.00 57.88 57.88 2c41 h LEU 27 Cb 0.10 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 2c41 h LEU 27 CO 0.02 0.71 0.11 0.78 0.09 0.00 0.00 178.44 180.16 2c41 h ASN 28 N 0.81 0.13 -0.90 -0.43 -0.26 -0.53 -1.83 115.58 112.56 2c41 h ASN 28 Ca 0.19 0.03 0.07 0.00 -0.56 0.00 0.00 56.30 56.03 2c41 h ASN 28 Cb 0.22 0.02 -0.06 0.00 -1.06 0.00 0.00 38.32 37.44 2c41 h ASN 28 CO -0.01 0.11 0.58 1.88 -1.06 0.00 0.00 177.43 178.93 2c41 h TYR 29 N 0.25 1.03 -0.57 1.19 0.05 -0.17 -1.52 116.97 117.23 2c41 h TYR 29 Ca 0.15 0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.90 2c41 h TYR 29 Cb 0.11 -0.34 -0.02 0.00 1.01 0.00 0.00 36.73 37.49 2c41 h TYR 29 CO -0.14 0.53 0.14 0.87 -1.05 0.00 0.00 178.16 178.51 2c41 h LYS 30 N 1.00 0.91 -0.29 4.88 1.79 -0.92 0.60 116.57 124.55 2c41 h LYS 30 Ca 0.39 -0.22 0.05 0.00 -2.18 0.00 0.00 60.65 58.69 2c41 h LYS 30 Cb 0.23 -0.12 -0.05 0.00 -1.58 0.00 0.00 32.23 30.71 2c41 h LYS 30 CO -0.15 0.85 -0.03 -0.22 -1.08 0.00 0.00 179.45 178.82 2c41 h LYS 31 N 0.82 0.04 -0.31 3.15 3.64 -0.51 0.32 116.57 123.72 2c41 h LYS 31 Ca 0.18 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 2c41 h LYS 31 Cb 0.34 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 2c41 h LYS 31 CO 0.00 0.03 0.16 1.88 -2.27 0.00 0.00 179.45 179.25 2c41 h TYR 32 N 0.04 0.43 -0.50 1.91 0.05 -0.96 0.90 116.97 118.84 2c41 h TYR 32 Ca 0.14 -0.02 0.10 0.00 0.05 0.00 0.00 58.73 59.00 2c41 h TYR 32 Cb 0.20 -0.14 -0.09 0.00 1.01 0.00 0.00 36.73 37.71 2c41 h TYR 32 CO -0.24 0.37 -0.03 1.25 -1.05 0.00 0.00 178.16 178.45 2c41 h HIS 33 N 0.37 -0.10 -0.06 4.88 -0.00 -0.59 -0.63 115.15 119.02 2c41 h HIS 33 Ca 0.11 0.04 -0.22 0.00 -0.00 0.00 0.00 60.37 60.29 2c41 h HIS 33 Cb 0.09 0.12 0.01 0.00 -0.00 0.00 0.00 27.41 27.63 2c41 h HIS 33 CO -0.02 -0.15 -0.86 -1.49 -0.00 0.00 0.00 177.93 175.41 2c41 h TRP 34 N 0.08 0.82 -0.02 5.26 6.55 -0.47 -3.35 115.95 124.82 2c41 h TRP 34 Ca 0.25 -0.40 0.00 0.00 0.95 0.00 0.00 58.89 59.69 2c41 h TRP 34 Cb 0.39 -0.11 0.00 0.00 -0.86 0.00 0.00 29.16 28.58 2c41 h TRP 34 CO -0.35 1.21 -0.31 1.28 -1.05 0.00 0.00 178.44 179.23 2c41 n LEU 35 N -3.84 2.28 -4.74 -4.49 4.77 0.27 -4.96 117.00 106.28 2c41 n LEU 35 Ca -0.07 -0.84 -0.34 0.00 -0.03 0.00 0.00 56.01 54.73 2c41 n LEU 35 Cb 0.79 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.95 2c41 n LEU 35 CO 0.52 0.41 0.78 0.28 -1.33 0.00 0.00 177.39 178.05 2c41 s THR 36 N -2.23 2.67 0.26 -5.08 -1.32 -0.26 -4.98 115.64 104.70 2c41 s THR 36 Ca 0.21 0.33 -0.20 0.00 -1.21 0.00 0.00 61.69 60.82 2c41 s THR 36 Cb 0.18 -2.90 0.02 0.00 -1.51 0.00 0.00 72.50 68.29 2c41 s THR 36 CO 0.46 -0.17 0.66 -0.72 -2.21 0.00 0.00 174.62 172.64 2c41 s TYR 37 N -2.07 -0.12 0.00 9.09 -0.85 -1.26 -5.00 117.35 117.14 2c41 s TYR 37 Ca 0.72 -0.31 0.00 0.00 -0.52 0.00 0.00 57.07 56.96 2c41 s TYR 37 Cb -0.26 0.60 0.00 0.00 0.38 0.00 0.00 41.96 42.68 2c41 s TYR 37 CO 0.42 -1.16 0.00 0.41 -1.52 0.00 0.00 175.55 173.71 2c41 n GLY 38 N -0.44 -3.97 0.08 5.49 0.00 -1.26 -4.56 105.19 100.54 2c41 n GLY 38 Ca -0.05 -2.05 0.06 0.00 0.00 0.00 0.00 46.02 43.99 2c41 n GLY 38 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2c41 n PRO 39 N -0.11 0.08 -0.47 1.61 -0.02 -1.26 -1.08 135.00 133.75 2c41 n PRO 39 Ca 0.00 0.54 0.09 0.00 -2.02 0.00 0.00 63.50 62.11 2c41 n PRO 39 Cb 0.00 -1.74 0.30 0.00 -0.02 0.00 0.00 33.50 32.04 2c41 n PRO 39 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2c41 n LEU 40 N -1.90 3.94 0.02 2.45 4.77 -1.26 -4.77 117.00 120.24 2c41 n LEU 40 Ca -0.00 -1.98 -0.12 0.00 -0.03 0.00 0.00 56.01 53.87 2c41 n LEU 40 Cb 0.04 -0.50 -0.06 0.00 -2.33 0.00 0.00 43.42 40.58 2c41 n LEU 40 CO 0.07 0.76 0.60 0.15 -1.33 0.00 0.00 177.39 177.64 2c41 h PHE 41 N 3.62 -1.12 -0.20 -1.77 3.57 -1.35 -1.06 116.94 118.63 2c41 h PHE 41 Ca 0.00 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 2c41 h PHE 41 Cb 1.15 0.51 -0.01 0.00 2.79 0.00 0.00 35.95 40.39 2c41 h PHE 41 CO 0.59 -0.46 0.11 -0.09 -2.23 0.00 0.00 178.31 176.23 2c41 h ARG 42 N -0.50 0.28 -0.23 1.11 2.43 -1.86 0.31 114.38 115.93 2c41 h ARG 42 Ca 0.07 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.25 2c41 h ARG 42 Cb 0.62 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.07 2c41 h ARG 42 CO -0.36 0.27 -0.04 0.22 -1.51 0.00 0.00 179.97 178.55 2c41 h ASP 43 N 0.22 -0.18 0.17 -3.80 3.58 -1.86 -1.07 116.42 113.47 2c41 h ASP 43 Ca 0.07 0.06 -0.23 0.00 0.42 0.00 0.00 57.03 57.35 2c41 h ASP 43 Cb 0.07 0.13 0.01 0.00 1.72 0.00 0.00 39.33 41.26 2c41 h ASP 43 CO -0.01 -0.06 -0.93 -0.07 -2.88 0.00 0.00 179.24 175.29 2c41 h LEU 44 N 0.02 0.69 -0.64 2.28 3.38 -0.97 -0.92 115.31 119.16 2c41 h LEU 44 Ca 0.11 -0.53 0.12 0.00 0.09 0.00 0.00 57.88 57.67 2c41 h LEU 44 Cb 0.16 -0.21 -0.09 0.00 0.09 0.00 0.00 40.66 40.61 2c41 h LEU 44 CO -0.22 1.32 0.14 -0.74 0.09 0.00 0.00 178.44 179.03 2c41 h HIS 45 N 0.33 0.22 -0.19 1.13 2.76 -0.20 -0.00 115.15 119.19 2c41 h HIS 45 Ca -0.09 0.04 -0.05 0.00 -2.20 0.00 0.00 60.37 58.07 2c41 h HIS 45 Cb 1.56 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.52 2c41 h HIS 45 CO 0.07 -0.04 -0.08 -0.07 -1.30 0.00 0.00 177.93 176.51 2c41 h LEU 46 N 0.26 0.39 -0.37 0.26 3.38 -1.10 -2.58 115.31 115.55 2c41 h LEU 46 Ca 0.34 -0.40 0.07 0.00 0.09 0.00 0.00 57.88 57.98 2c41 h LEU 46 Cb 0.53 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.10 2c41 h LEU 46 CO -0.43 0.71 -0.06 0.25 0.09 0.00 0.00 178.44 179.00 2c41 h LEU 47 N 0.08 -0.28 -1.00 1.67 5.85 -0.58 0.12 115.31 121.17 2c41 h LEU 47 Ca 0.04 0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.80 2c41 h LEU 47 Cb 0.55 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 2c41 h LEU 47 CO 0.03 -0.09 0.02 -0.26 -0.34 0.00 0.00 178.44 177.79 2c41 h PHE 48 N 0.04 0.78 -0.37 1.25 0.05 -1.02 -0.60 116.94 117.06 2c41 h PHE 48 Ca 0.18 -0.10 -0.11 0.00 3.82 0.00 0.00 57.97 61.77 2c41 h PHE 48 Cb 0.27 -0.22 -0.01 0.00 2.00 0.00 0.00 35.95 37.99 2c41 h PHE 48 CO -0.31 0.72 -0.19 1.49 -0.18 0.00 0.00 178.31 179.84 2c41 h GLU 49 N 0.70 0.78 0.03 1.51 4.57 -1.00 -0.24 114.58 120.93 2c41 h GLU 49 Ca 0.14 -0.34 -0.00 0.00 -1.18 0.00 0.00 59.36 57.98 2c41 h GLU 49 Cb 0.40 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 2c41 h GLU 49 CO 0.01 0.96 -0.02 0.93 -1.18 0.00 0.00 179.01 179.72 2c41 h GLU 50 N 0.57 -0.04 -0.28 1.92 5.08 -0.34 0.10 114.58 121.59 2c41 h GLU 50 Ca 0.08 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.29 2c41 h GLU 50 Cb 0.74 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 2c41 h GLU 50 CO 0.06 0.24 -0.43 1.96 -1.00 0.00 0.00 179.01 179.83 2c41 h GLN 51 N -0.33 0.69 -0.82 2.33 4.20 -1.20 -2.53 115.11 117.45 2c41 h GLN 51 Ca -0.00 -0.38 0.05 0.00 0.06 0.00 0.00 58.65 58.38 2c41 h GLN 51 Cb 0.30 0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.04 2c41 h GLN 51 CO 0.01 0.99 0.51 0.78 -0.67 0.00 0.00 178.83 180.44 2c41 h GLY 52 N 0.96 1.22 1.41 3.46 0.00 -0.94 -1.40 103.07 107.78 2c41 h GLY 52 Ca 0.04 -0.37 -0.06 0.00 0.00 0.00 0.00 47.33 46.94 2c41 h GLY 52 CO 0.09 0.26 0.02 1.76 0.00 0.00 0.00 176.54 178.68 2c41 h SER 53 N 0.94 0.69 -0.39 0.19 0.02 -0.51 0.10 113.55 114.59 2c41 h SER 53 Ca 0.35 -0.15 -0.15 0.00 -0.84 0.00 0.00 61.79 61.00 2c41 h SER 53 Cb 0.14 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 2c41 h SER 53 CO -0.16 0.74 -0.34 -0.33 -1.14 0.00 0.00 176.83 175.60 2c41 h GLU 54 N 0.69 0.92 -0.54 3.45 5.08 -1.01 -2.56 114.58 120.61 2c41 h GLU 54 Ca 0.14 -0.47 -0.05 0.00 -1.00 0.00 0.00 59.36 57.98 2c41 h GLU 54 Cb 0.39 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2c41 h GLU 54 CO 0.01 1.12 0.15 0.28 -1.00 0.00 0.00 179.01 179.57 2c41 h VAL 55 N 0.74 1.24 -0.59 3.13 2.07 -1.09 -3.12 116.25 118.62 2c41 h VAL 55 Ca 0.07 -0.84 0.12 0.00 0.82 0.00 0.00 66.70 66.87 2c41 h VAL 55 Cb 0.93 0.76 -0.09 0.00 -1.52 0.00 0.00 31.29 31.36 2c41 h VAL 55 CO 0.09 0.31 0.04 0.15 0.02 0.00 0.00 177.57 178.18 2c41 h PHE 56 N 0.75 0.04 -0.14 1.57 3.04 -0.64 -0.72 116.94 120.84 2c41 h PHE 56 Ca 0.17 0.04 0.04 0.00 3.98 0.00 0.00 57.97 62.20 2c41 h PHE 56 Cb 0.32 0.07 -0.01 0.00 2.56 0.00 0.00 35.95 38.89 2c41 h PHE 56 CO 0.02 -0.11 0.13 0.00 -2.02 0.00 0.00 178.31 176.33 2c41 h ALA 57 N 1.52 1.89 0.00 2.41 0.00 -1.40 -1.44 119.26 122.23 2c41 h ALA 57 Ca 0.31 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.16 2c41 h ALA 57 Cb 0.49 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2c41 h ALA 57 CO -0.47 -0.21 -0.28 0.52 0.00 0.00 0.00 179.25 178.81 2c41 h MET 58 N 0.00 0.00 0.20 0.00 2.86 -1.18 -3.27 114.93 113.53 2c41 h MET 58 Ca 0.07 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.71 2c41 h MET 58 Cb 0.33 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 2c41 h MET 58 CO -0.00 0.28 -0.21 0.82 1.06 0.00 0.00 176.91 178.86 2c41 h ILE 59 N 0.00 0.53 -0.33 -1.22 2.04 -1.30 -0.45 117.51 116.78 2c41 h ILE 59 Ca -0.00 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.76 2c41 h ILE 59 Cb 0.78 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 2c41 h ILE 59 CO 0.04 0.00 -0.21 -0.78 0.00 0.00 0.00 178.15 177.20 2c41 h ASP 60 N -0.45 0.63 -0.32 1.72 1.82 -1.73 -0.86 116.42 117.23 2c41 h ASP 60 Ca 0.00 -0.21 -0.01 0.00 -0.39 0.00 0.00 57.03 56.42 2c41 h ASP 60 Cb 0.43 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 40.25 2c41 h ASP 60 CO -0.06 0.84 0.16 -0.33 -1.61 0.00 0.00 179.24 178.23 2c41 h GLU 61 N 0.56 0.45 -0.24 0.28 5.08 -1.54 0.25 114.58 119.42 2c41 h GLU 61 Ca 0.08 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 58.22 2c41 h GLU 61 Cb 0.66 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 2c41 h GLU 61 CO 0.05 0.42 -0.52 -0.07 -1.00 0.00 0.00 179.01 177.89 2c41 h LEU 62 N 0.38 0.75 -0.03 1.33 3.38 -0.98 -2.01 115.31 118.14 2c41 h LEU 62 Ca 0.11 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 2c41 h LEU 62 Cb 0.11 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 2c41 h LEU 62 CO -0.01 1.13 -0.00 0.00 0.09 0.00 0.00 178.44 179.64 2c41 h ALA 63 N 0.89 0.04 0.00 1.53 0.00 -1.04 -3.16 119.26 117.52 2c41 h ALA 63 Ca 0.02 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 2c41 h ALA 63 Cb 1.08 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2c41 h ALA 63 CO 0.11 -0.27 -0.21 0.93 0.00 0.00 0.00 179.25 179.80 2c41 h GLU 64 N -0.28 0.00 -0.88 0.00 5.08 -0.98 -2.42 114.58 115.10 2c41 h GLU 64 Ca 0.01 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.42 2c41 h GLU 64 Cb 0.36 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.55 2c41 h GLU 64 CO 0.00 0.21 0.56 -0.09 -1.00 0.00 0.00 179.01 178.69 2c41 h ARG 65 N 0.00 1.02 -0.54 2.33 9.65 -1.33 -0.57 114.38 124.95 2c41 h ARG 65 Ca -0.00 -0.06 0.03 0.00 -1.10 0.00 0.00 59.98 58.85 2c41 h ARG 65 Cb 0.69 -0.23 -0.04 0.00 -1.39 0.00 0.00 29.97 29.00 2c41 h ARG 65 CO 0.03 0.68 0.31 0.77 2.80 0.00 0.00 179.97 184.55 2c41 h SER 66 N 1.05 0.48 -0.80 -3.80 0.02 -1.43 -2.33 113.55 106.74 2c41 h SER 66 Ca 0.37 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.31 2c41 h SER 66 Cb 0.09 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.51 2c41 h SER 66 CO -0.15 0.33 0.43 -0.07 -1.14 0.00 0.00 176.83 176.23 2c41 h LEU 67 N 0.60 1.02 -1.39 5.07 -0.00 -1.37 0.51 115.31 119.74 2c41 h LEU 67 Ca 0.22 -0.09 0.00 0.00 -0.00 0.00 0.00 57.88 58.01 2c41 h LEU 67 Cb 0.06 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 40.47 2c41 h LEU 67 CO -0.12 0.83 0.00 0.24 -0.00 0.00 0.00 178.44 179.39 2c41 h MET 68 N 1.13 0.00 -0.56 1.13 2.86 -0.62 -1.85 114.93 117.03 2c41 h MET 68 Ca 0.28 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 2c41 h MET 68 Cb 0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.71 2c41 h MET 68 CO -0.04 0.00 0.00 1.28 1.06 0.00 0.00 176.91 179.21 2c41 n LEU 69 N -2.73 4.86 -1.40 1.22 4.77 -0.89 -4.94 117.00 117.90 2c41 n LEU 69 Ca 0.00 -2.65 -0.15 0.00 -0.03 0.00 0.00 56.01 53.18 2c41 n LEU 69 Cb 0.23 -0.59 -0.04 0.00 -2.33 0.00 0.00 43.42 40.69 2c41 n LEU 69 CO 0.22 0.74 -0.17 0.47 -1.33 0.00 0.00 177.39 177.32 2c41 n ASP 70 N 0.72 -4.75 -0.71 -1.43 10.43 -0.69 -5.00 116.55 115.11 2c41 n ASP 70 Ca 0.25 0.22 0.00 0.00 2.57 0.00 0.00 54.79 57.83 2c41 n ASP 70 Cb 0.96 -3.71 0.00 0.00 1.84 0.00 0.00 41.12 40.21 2c41 n ASP 70 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2c41 n GLY 71 N -1.07 4.37 3.14 0.44 0.00 0.12 -5.01 105.19 107.18 2c41 n GLY 71 Ca -0.16 -2.08 -0.21 0.00 0.00 0.00 0.00 46.02 43.56 2c41 n GLY 71 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2c41 s GLN 72 N 0.54 1.01 0.86 1.61 -0.21 -1.26 -3.85 119.66 118.36 2c41 s GLN 72 Ca 0.00 -0.70 -0.13 0.00 0.02 0.00 0.00 55.36 54.55 2c41 s GLN 72 Cb 0.00 -1.01 0.12 0.00 1.00 0.00 0.00 33.01 33.11 2c41 s GLN 72 CO 0.00 0.26 1.21 -1.25 -2.12 0.00 0.00 175.29 173.39 2c41 s PRO 73 N -0.93 1.50 0.36 2.91 0.04 -1.26 -4.88 135.00 132.75 2c41 s PRO 73 Ca 0.03 0.00 -0.28 0.00 0.04 0.00 0.00 61.00 60.79 2c41 s PRO 73 Cb -0.07 -1.91 -0.11 0.00 0.04 0.00 0.00 34.50 32.46 2c41 s PRO 73 CO 0.01 -1.90 1.40 0.08 0.04 0.00 0.00 177.00 176.63 2c41 s VAL 74 N -3.61 2.36 0.00 -0.36 1.01 -1.26 -4.89 120.40 113.65 2c41 s VAL 74 Ca 0.65 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.99 2c41 s VAL 74 Cb -0.10 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 33.05 2c41 s VAL 74 CO 0.51 0.08 0.00 0.00 0.00 0.00 0.00 175.10 175.69 2c41 n ALA 75 N 0.59 1.37 -2.05 5.51 0.00 -1.26 -5.04 120.51 119.62 2c41 n ALA 75 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 2c41 n ALA 75 Cb 0.40 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.83 2c41 n ALA 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2c41 s ASP 76 N -2.18 6.70 0.42 0.00 -0.00 -1.26 -4.90 116.67 115.45 2c41 s ASP 76 Ca 0.00 2.22 0.19 0.00 -0.00 0.00 0.00 52.55 54.96 2c41 s ASP 76 Cb 0.00 -2.54 1.11 0.00 -0.00 0.00 0.00 42.92 41.49 2c41 s ASP 76 CO 0.00 -0.88 1.82 -0.65 -0.00 0.00 0.00 175.17 175.46 2c41 h PRO 77 N 9.02 0.37 0.00 8.23 0.11 -2.04 0.70 132.00 148.39 2c41 h PRO 77 Ca -0.39 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2c41 h PRO 77 Cb 1.18 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2c41 h PRO 77 CO 0.94 0.25 0.00 0.00 -0.21 0.00 0.00 178.00 178.98 2c41 h ALA 78 N 1.60 1.00 0.00 -0.75 0.00 -2.05 -3.01 119.26 116.05 2c41 h ALA 78 Ca 0.53 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.33 2c41 h ALA 78 Cb 1.37 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 2c41 h ALA 78 CO -0.22 0.00 -0.53 -0.44 0.00 0.00 0.00 179.25 178.06 2c41 h ASP 79 N 0.00 0.00 -0.28 0.00 3.45 -1.23 -3.39 116.42 114.96 2c41 h ASP 79 Ca 0.00 0.00 0.04 0.00 0.43 0.00 0.00 57.03 57.50 2c41 h ASP 79 Cb 0.26 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 38.99 2c41 h ASP 79 CO 0.00 0.50 0.06 1.88 -1.57 0.00 0.00 179.24 180.11 2c41 h TYR 80 N 0.00 0.11 0.00 4.55 0.05 -1.63 -1.23 116.97 118.82 2c41 h TYR 80 Ca -0.01 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.79 2c41 h TYR 80 Cb 1.39 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 39.12 2c41 h TYR 80 CO 0.00 0.03 0.00 -0.07 -1.05 0.00 0.00 178.16 177.07 2c41 h LEU 81 N 0.17 0.00 0.00 3.88 3.38 -1.80 -0.34 115.31 120.60 2c41 h LEU 81 Ca 0.13 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.99 2c41 h LEU 81 Cb 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2c41 h LEU 81 CO -0.16 0.00 -0.58 0.11 0.09 0.00 0.00 178.44 177.90 2c41 h LYS 82 N 0.00 0.00 0.00 1.13 1.57 -1.44 -3.38 116.57 114.45 2c41 h LYS 82 Ca 0.00 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.52 2c41 h LYS 82 Cb 0.51 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.77 2c41 h LYS 82 CO 0.00 0.45 -1.99 0.28 -0.57 0.00 0.00 179.45 177.63 2c41 n VAL 83 N -3.18 0.99 -1.91 0.50 0.31 -0.88 -4.99 118.33 109.18 2c41 n VAL 83 Ca 0.01 -0.54 -0.40 0.00 -0.01 0.00 0.00 64.34 63.40 2c41 n VAL 83 Cb 0.73 -0.77 0.01 0.00 -0.91 0.00 0.00 33.84 32.90 2c41 n VAL 83 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2c41 s ALA 84 N -2.35 3.27 -0.19 3.52 0.00 -0.17 -4.71 121.76 121.13 2c41 s ALA 84 Ca -0.12 1.38 0.15 0.00 0.00 0.00 0.00 51.96 53.37 2c41 s ALA 84 Cb 0.05 -3.55 -0.22 0.00 0.00 0.00 0.00 23.12 19.40 2c41 s ALA 84 CO 0.53 -1.03 0.41 0.25 0.00 0.00 0.00 175.76 175.93 2c41 n THR 85 N -0.01 0.00 -2.02 0.00 -2.24 -1.26 -4.96 114.28 103.78 2c41 n THR 85 Ca 0.04 -0.30 -0.35 0.00 -2.27 0.00 0.00 64.05 61.17 2c41 n THR 85 Cb 0.42 0.36 0.03 0.00 -2.10 0.00 0.00 70.33 69.04 2c41 n THR 85 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2c41 s VAL 86 N -2.90 2.95 -0.20 2.28 -7.23 -1.26 -4.98 120.40 109.06 2c41 s VAL 86 Ca -0.03 0.55 -0.29 0.00 -1.81 0.00 0.00 61.98 60.40 2c41 s VAL 86 Cb 0.10 -3.17 -0.00 0.00 0.56 0.00 0.00 36.38 33.87 2c41 s VAL 86 CO 0.63 -0.17 1.14 -0.89 -0.31 0.00 0.00 175.10 175.50 2c41 s THR 87 N -1.84 4.50 0.20 5.32 2.01 -1.26 -5.01 115.64 119.56 2c41 s THR 87 Ca 0.73 1.81 -0.30 0.00 0.31 0.00 0.00 61.69 64.25 2c41 s THR 87 Cb -0.26 -4.17 -0.08 0.00 0.01 0.00 0.00 72.50 68.00 2c41 s THR 87 CO 0.33 -0.15 1.25 -2.16 -0.69 0.00 0.00 174.62 173.20 2c41 s PRO 88 N 3.28 4.44 0.34 4.92 0.04 -1.26 -4.95 135.00 141.81 2c41 s PRO 88 Ca 0.49 1.96 -0.29 0.00 0.04 0.00 0.00 61.00 63.21 2c41 s PRO 88 Cb -0.18 -3.21 -0.11 0.00 0.04 0.00 0.00 34.50 31.04 2c41 s PRO 88 CO 0.10 -0.16 1.39 0.45 0.04 0.00 0.00 177.00 178.83 2c41 s SER 89 N 0.19 6.59 -0.03 6.66 0.15 -1.26 -5.01 113.70 120.98 2c41 s SER 89 Ca 0.54 2.83 0.01 0.00 0.70 0.00 0.00 55.95 60.03 2c41 s SER 89 Cb -0.35 -2.65 0.02 0.00 -1.71 0.00 0.00 66.02 61.33 2c41 s SER 89 CO 0.38 -0.69 -0.02 -0.55 1.20 0.00 0.00 173.24 173.56 2c41 s SER 90 N -0.25 0.62 0.00 5.45 0.15 -1.26 -5.07 113.70 113.34 2c41 s SER 90 Ca 0.52 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 57.09 2c41 s SER 90 Cb -0.43 -0.29 0.00 0.00 -1.71 0.00 0.00 66.02 63.59 2c41 s SER 90 CO 0.56 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.54 2c41 n GLY 91 N 3.95 -1.46 3.71 9.45 0.00 -1.26 -4.85 105.19 114.73 2c41 n GLY 91 Ca -0.25 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 2c41 n GLY 91 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2c41 s GLN 92 N -1.34 4.40 0.06 1.61 -1.52 -1.26 -5.03 119.66 116.59 2c41 s GLN 92 Ca 0.00 1.86 0.06 0.00 -1.95 0.00 0.00 55.36 55.33 2c41 s GLN 92 Cb 0.00 -3.31 -0.03 0.00 -0.22 0.00 0.00 33.01 29.45 2c41 s GLN 92 CO 0.00 -0.30 -0.17 -0.51 -0.25 0.00 0.00 175.29 174.06 2c41 s LEU 93 N 1.02 2.23 0.82 2.90 1.43 -1.26 -5.13 118.68 120.68 2c41 s LEU 93 Ca 0.60 -0.56 -0.11 0.00 -1.03 0.00 0.00 54.13 53.03 2c41 s LEU 93 Cb -0.32 -0.69 0.08 0.00 0.03 0.00 0.00 46.19 45.29 2c41 s LEU 93 CO 0.30 0.02 1.09 0.42 0.23 0.00 0.00 176.35 178.42 2c41 s THR 94 N -1.03 3.02 0.19 5.49 -4.23 -1.26 -4.86 115.64 112.96 2c41 s THR 94 Ca 0.02 0.33 -0.12 0.00 -1.18 0.00 0.00 61.69 60.75 2c41 s THR 94 Cb -0.09 -3.00 0.11 0.00 1.34 0.00 0.00 72.50 70.86 2c41 s THR 94 CO 0.02 -0.43 1.82 0.58 -0.54 0.00 0.00 174.62 176.07 2c41 h VAL 95 N -1.19 1.04 -0.51 2.29 2.07 -1.93 -0.74 116.25 117.29 2c41 h VAL 95 Ca -0.47 -0.24 0.07 0.00 0.82 0.00 0.00 66.70 66.88 2c41 h VAL 95 Cb 1.27 0.29 -0.06 0.00 -1.52 0.00 0.00 31.29 31.27 2c41 h VAL 95 CO 0.58 0.13 0.18 0.50 0.02 0.00 0.00 177.57 178.97 2c41 h LYS 96 N 0.69 0.35 -0.92 1.57 3.64 -1.99 -1.62 116.57 118.29 2c41 h LYS 96 Ca 0.25 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.59 2c41 h LYS 96 Cb 0.06 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.75 2c41 h LYS 96 CO -0.12 0.23 0.53 1.96 -2.27 0.00 0.00 179.45 179.78 2c41 h GLN 97 N 0.36 1.27 -0.29 1.90 4.20 -1.80 -0.83 115.11 119.92 2c41 h GLN 97 Ca 0.24 -0.13 0.02 0.00 0.06 0.00 0.00 58.65 58.84 2c41 h GLN 97 Cb 0.26 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 2c41 h GLN 97 CO -0.25 0.91 0.15 0.52 -0.67 0.00 0.00 178.83 179.49 2c41 h MET 98 N 1.28 0.31 -0.39 1.46 2.86 -0.49 -0.17 114.93 119.80 2c41 h MET 98 Ca 0.33 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.93 2c41 h MET 98 Cb -0.01 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.56 2c41 h MET 98 CO -0.06 0.20 0.17 0.82 1.06 0.00 0.00 176.91 179.11 2c41 h ILE 99 N 0.32 1.18 -0.64 -1.22 2.04 -1.02 -0.27 117.51 117.89 2c41 h ILE 99 Ca 0.12 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 2c41 h ILE 99 Cb 0.02 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 2c41 h ILE 99 CO -0.07 0.20 0.35 -0.33 0.00 0.00 0.00 178.15 178.30 2c41 h GLU 100 N 0.48 0.89 -0.29 2.37 4.39 -1.00 -0.79 114.58 120.64 2c41 h GLU 100 Ca 0.13 -0.10 -0.00 0.00 0.34 0.00 0.00 59.36 59.72 2c41 h GLU 100 Cb 0.15 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 2c41 h GLU 100 CO -0.01 0.68 0.17 1.49 -1.16 0.00 0.00 179.01 180.17 2c41 h GLU 101 N 0.87 0.40 -0.41 2.33 4.81 -0.84 -1.74 114.58 120.00 2c41 h GLU 101 Ca 0.23 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.44 2c41 h GLU 101 Cb 0.04 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 2c41 h GLU 101 CO -0.04 0.33 0.21 0.00 -0.73 0.00 0.00 179.01 178.79 2c41 h ALA 102 N 1.05 0.51 -0.14 2.92 0.00 -0.75 -1.33 119.26 121.52 2c41 h ALA 102 Ca 0.10 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.04 2c41 h ALA 102 Cb 0.04 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2c41 h ALA 102 CO -0.02 -0.14 0.03 0.82 0.00 0.00 0.00 179.25 179.94 2c41 h ILE 103 N 0.43 0.94 -0.61 0.00 2.04 -0.98 0.11 117.51 119.44 2c41 h ILE 103 Ca 0.17 -0.03 0.04 0.00 1.00 0.00 0.00 64.86 66.05 2c41 h ILE 103 Cb 0.07 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 36.95 2c41 h ILE 103 CO -0.11 0.02 0.35 0.00 0.00 0.00 0.00 178.15 178.40 2c41 h ALA 104 N 1.10 0.81 -0.42 1.87 0.00 -1.04 0.91 119.26 122.49 2c41 h ALA 104 Ca 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 2c41 h ALA 104 Cb 0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2c41 h ALA 104 CO -0.08 0.05 0.01 -0.91 0.00 0.00 0.00 179.25 178.32 2c41 h ASN 105 N 0.67 0.72 -0.94 0.00 -0.26 -0.94 -1.55 115.58 113.29 2c41 h ASN 105 Ca 0.26 -0.30 0.01 0.00 -0.56 0.00 0.00 56.30 55.71 2c41 h ASN 105 Cb 0.11 -0.19 -0.05 0.00 -1.06 0.00 0.00 38.32 37.13 2c41 h ASN 105 CO -0.14 0.85 0.62 0.45 -1.06 0.00 0.00 177.43 178.14 2c41 h HIS 106 N 0.57 1.18 -0.61 1.19 3.86 -0.26 -1.27 115.15 119.80 2c41 h HIS 106 Ca 0.12 0.03 -0.09 0.00 -1.16 0.00 0.00 60.37 59.26 2c41 h HIS 106 Cb 0.47 -0.40 -0.02 0.00 1.06 0.00 0.00 27.41 28.52 2c41 h HIS 106 CO 0.04 0.74 0.02 0.93 0.86 0.00 0.00 177.93 180.52 2c41 h GLU 107 N 1.27 1.06 -0.16 2.45 5.08 -0.52 0.14 114.58 123.91 2c41 h GLU 107 Ca 0.34 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2c41 h GLU 107 Cb -0.15 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 28.99 2c41 h GLU 107 CO -0.07 1.02 0.10 1.25 -1.00 0.00 0.00 179.01 180.30 2c41 h LEU 108 N 0.97 0.19 -0.63 1.33 6.46 -0.86 -1.33 115.31 121.45 2c41 h LEU 108 Ca 0.18 -0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 57.87 2c41 h LEU 108 Cb 0.53 -0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.38 2c41 h LEU 108 CO 0.03 0.18 0.33 0.40 -0.62 0.00 0.00 178.44 178.76 2c41 h ILE 109 N 0.18 1.21 -0.33 4.05 2.04 -0.90 -0.25 117.51 123.52 2c41 h ILE 109 Ca 0.06 -0.55 0.02 0.00 1.00 0.00 0.00 64.86 65.38 2c41 h ILE 109 Cb 0.03 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 2c41 h ILE 109 CO -0.01 0.23 0.18 0.40 0.00 0.00 0.00 178.15 178.96 2c41 h ILE 110 N 0.86 1.02 -0.11 -0.67 2.04 -0.60 0.30 117.51 120.35 2c41 h ILE 110 Ca 0.22 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.96 2c41 h ILE 110 Cb 0.07 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 2c41 h ILE 110 CO -0.03 0.07 0.04 0.74 0.00 0.00 0.00 178.15 178.97 2c41 h THR 111 N 0.38 0.98 -0.80 -0.27 2.02 -0.99 -2.15 112.91 112.08 2c41 h THR 111 Ca 0.13 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.27 2c41 h THR 111 Cb 0.01 0.88 -0.04 0.00 -1.74 0.00 0.00 68.15 67.26 2c41 h THR 111 CO -0.07 0.02 0.46 -0.33 0.37 0.00 0.00 175.52 175.97 2c41 h GLU 112 N 0.10 1.10 -0.40 6.66 5.08 -0.64 -1.79 114.58 124.69 2c41 h GLU 112 Ca 0.04 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 2c41 h GLU 112 Cb 0.02 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 2c41 h GLU 112 CO -0.04 0.79 -0.02 0.52 -1.00 0.00 0.00 179.01 179.26 2c41 h MET 113 N 1.10 0.65 -0.33 2.33 2.86 -0.24 0.35 114.93 121.67 2c41 h MET 113 Ca 0.28 -0.16 -0.05 0.00 -2.06 0.00 0.00 59.70 57.71 2c41 h MET 113 Cb -0.01 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 2c41 h MET 113 CO -0.05 0.68 0.02 0.45 1.06 0.00 0.00 176.91 179.07 2c41 h HIS 114 N 0.61 0.61 -0.50 -0.22 3.86 -1.08 0.61 115.15 119.05 2c41 h HIS 114 Ca 0.12 -0.10 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 2c41 h HIS 114 Cb 0.41 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.70 2c41 h HIS 114 CO 0.02 0.67 0.27 1.96 0.86 0.00 0.00 177.93 181.70 2c41 h GLN 115 N 0.38 0.70 -0.09 2.45 4.20 -0.94 -2.42 115.11 119.38 2c41 h GLN 115 Ca 0.10 -0.09 -0.14 0.00 0.06 0.00 0.00 58.65 58.58 2c41 h GLN 115 Cb 0.41 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 2c41 h GLN 115 CO 0.01 0.55 -0.55 -0.44 -0.67 0.00 0.00 178.83 177.73 2c41 h ASP 116 N 0.66 0.31 -0.82 1.46 3.45 -0.22 -1.83 116.42 119.43 2c41 h ASP 116 Ca 0.17 -0.16 -0.04 0.00 0.43 0.00 0.00 57.03 57.44 2c41 h ASP 116 Cb 0.06 -0.09 -0.04 0.00 -0.56 0.00 0.00 39.33 38.71 2c41 h ASP 116 CO -0.03 0.80 0.37 0.00 -1.57 0.00 0.00 179.24 178.81 2c41 h ALA 117 N 1.21 1.10 -0.52 3.45 0.00 -0.78 -0.82 119.26 122.90 2c41 h ALA 117 Ca 0.00 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 2c41 h ALA 117 Cb 1.04 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2c41 h ALA 117 CO 0.09 0.66 0.10 1.49 0.00 0.00 0.00 179.25 181.59 2c41 h GLU 118 N 1.18 0.86 -0.21 0.00 4.81 -1.00 -0.08 114.58 120.14 2c41 h GLU 118 Ca 0.28 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2c41 h GLU 118 Cb 0.16 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 2c41 h GLU 118 CO -0.03 0.83 0.13 0.82 -0.73 0.00 0.00 179.01 180.03 2c41 h ILE 119 N 0.74 1.07 -0.70 2.32 2.04 -1.12 -0.66 117.51 121.19 2c41 h ILE 119 Ca 0.16 -0.15 0.01 0.00 1.00 0.00 0.00 64.86 65.88 2c41 h ILE 119 Cb 0.37 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 2c41 h ILE 119 CO 0.01 0.07 0.46 0.00 0.00 0.00 0.00 178.15 178.68 2c41 h ALA 120 N 1.05 0.89 -0.51 1.87 0.00 -0.96 -1.13 119.26 120.48 2c41 h ALA 120 Ca 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2c41 h ALA 120 Cb -0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 2c41 h ALA 120 CO -0.02 0.32 0.32 1.15 0.00 0.00 0.00 179.25 181.03 2c41 h THR 121 N 0.96 1.14 -0.49 0.00 2.02 -0.74 0.11 112.91 115.91 2c41 h THR 121 Ca 0.26 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 2c41 h THR 121 Cb -0.10 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 66.71 2c41 h THR 121 CO -0.05 0.14 0.27 -0.33 0.37 0.00 0.00 175.52 175.92 2c41 h GLU 122 N 0.69 0.67 0.00 6.66 5.08 -0.73 -1.36 114.58 125.60 2c41 h GLU 122 Ca 0.19 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2c41 h GLU 122 Cb -0.05 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.06 2c41 h GLU 122 CO -0.04 0.49 0.00 0.00 -1.00 0.00 0.00 179.01 178.47 2c41 n ALA 123 N -2.46 2.25 -1.02 3.43 0.00 -0.46 -4.88 120.51 117.37 2c41 n ALA 123 Ca 0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 53.44 53.36 2c41 n ALA 123 Cb 0.10 -1.40 -0.00 0.00 0.00 0.00 0.00 19.45 18.14 2c41 n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c41 n GLY 124 N 0.85 0.45 3.34 0.00 0.00 -0.51 -4.89 105.19 104.44 2c41 n GLY 124 Ca 0.11 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 2c41 n GLY 124 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2c41 n ASP 125 N 0.09 5.08 0.02 1.61 -0.08 0.30 -4.82 116.55 118.75 2c41 n ASP 125 Ca -0.01 -2.98 0.02 0.00 -1.51 0.00 0.00 54.79 50.31 2c41 n ASP 125 Cb 0.09 -1.59 0.37 0.00 2.34 0.00 0.00 41.12 42.33 2c41 n ASP 125 CO 0.00 0.00 0.00 0.16 0.12 0.00 0.00 177.20 177.48 2c41 h ILE 126 N 4.62 1.15 -0.13 5.18 3.07 -1.92 -1.90 117.51 127.58 2c41 h ILE 126 Ca 0.37 -0.49 -0.01 0.00 1.55 0.00 0.00 64.86 66.28 2c41 h ILE 126 Cb 0.82 0.77 -0.01 0.00 -0.27 0.00 0.00 36.82 38.12 2c41 h ILE 126 CO 1.39 0.18 0.04 1.23 -1.05 0.00 0.00 178.15 179.94 2c41 h GLY 127 N 0.67 0.22 1.18 0.16 0.00 -1.96 -0.87 103.07 102.49 2c41 h GLY 127 Ca 0.12 -0.13 -0.12 0.00 0.00 0.00 0.00 47.33 47.20 2c41 h GLY 127 CO -0.01 0.12 -0.18 -0.84 0.00 0.00 0.00 176.54 175.64 2c41 h THR 128 N 0.03 1.27 -0.83 4.70 2.02 -1.89 -0.55 112.91 117.67 2c41 h THR 128 Ca 0.04 -1.33 0.03 0.00 0.77 0.00 0.00 66.41 65.93 2c41 h THR 128 Cb 0.22 1.09 -0.05 0.00 -1.74 0.00 0.00 68.15 67.67 2c41 h THR 128 CO -0.00 0.46 0.53 0.00 0.37 0.00 0.00 175.52 176.88 2c41 h ALA 129 N 0.96 1.09 -0.54 6.16 0.00 -1.30 -1.84 119.26 123.79 2c41 h ALA 129 Ca 0.12 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2c41 h ALA 129 Cb 0.73 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2c41 h ALA 129 CO 0.06 0.37 0.14 0.22 0.00 0.00 0.00 179.25 180.04 2c41 h ASP 130 N 1.04 0.81 -0.04 0.00 3.58 -0.73 -0.48 116.42 120.59 2c41 h ASP 130 Ca 0.33 -0.22 0.02 0.00 0.42 0.00 0.00 57.03 57.58 2c41 h ASP 130 Cb -0.00 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 40.81 2c41 h ASP 130 CO -0.11 0.82 -0.11 0.25 -2.88 0.00 0.00 179.24 177.21 2c41 h LEU 131 N 0.75 -0.33 -1.08 2.28 5.85 -0.73 0.45 115.31 122.50 2c41 h LEU 131 Ca 0.17 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 2c41 h LEU 131 Cb 0.32 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 2c41 h LEU 131 CO -0.00 -0.16 0.34 1.88 -0.34 0.00 0.00 178.44 180.16 2c41 h TYR 132 N -0.17 0.98 -0.68 1.25 0.99 -1.19 -0.75 116.97 117.41 2c41 h TYR 132 Ca 0.06 -0.04 -0.08 0.00 2.00 0.00 0.00 58.73 60.67 2c41 h TYR 132 Cb 0.25 -0.31 -0.03 0.00 1.00 0.00 0.00 36.73 37.64 2c41 h TYR 132 CO -0.19 0.71 0.13 1.15 -0.00 0.00 0.00 178.16 179.96 2c41 h THR 133 N 0.99 1.26 0.04 -2.88 2.02 -0.48 -0.76 112.91 113.10 2c41 h THR 133 Ca 0.24 -1.02 -0.00 0.00 0.77 0.00 0.00 66.41 66.40 2c41 h THR 133 Cb 0.10 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 2c41 h THR 133 CO -0.03 0.39 -0.02 -0.09 0.37 0.00 0.00 175.52 176.13 2c41 h ARG 134 N 1.04 -0.06 -0.55 6.66 2.43 -0.66 -3.33 114.38 119.91 2c41 h ARG 134 Ca 0.21 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.34 2c41 h ARG 134 Cb 0.42 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.96 2c41 h ARG 134 CO 0.01 0.43 0.16 -0.07 -1.51 0.00 0.00 179.97 178.98 2c41 h LEU 135 N -0.57 0.76 -1.90 3.80 3.38 -1.08 -2.64 115.31 117.07 2c41 h LEU 135 Ca -0.01 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 2c41 h LEU 135 Cb 0.51 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 2c41 h LEU 135 CO 0.01 0.73 -0.05 1.62 0.09 0.00 0.00 178.44 180.84 2c41 h VAL 136 N 0.80 1.04 -0.34 1.22 3.04 -1.25 -1.88 116.25 118.88 2c41 h VAL 136 Ca 0.18 -0.18 -0.09 0.00 -1.01 0.00 0.00 66.70 65.61 2c41 h VAL 136 Cb 0.25 1.09 -0.02 0.00 -2.01 0.00 0.00 31.29 30.61 2c41 h VAL 136 CO -0.01 0.05 -0.16 1.56 -1.01 0.00 0.00 177.57 178.01 2c41 h GLN 137 N 0.00 0.61 -0.42 4.17 4.20 -1.58 0.33 115.11 122.42 2c41 h GLN 137 Ca 0.00 -0.20 -0.05 0.00 0.06 0.00 0.00 58.65 58.46 2c41 h GLN 137 Cb 0.09 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 2c41 h GLN 137 CO 0.01 0.74 0.08 1.15 -0.67 0.00 0.00 178.83 180.14 2c41 h THR 138 N 0.55 1.24 -0.98 -0.54 2.02 -1.42 -0.84 112.91 112.95 2c41 h THR 138 Ca 0.09 -0.86 0.01 0.00 0.77 0.00 0.00 66.41 66.42 2c41 h THR 138 Cb 0.59 0.99 -0.05 0.00 -1.74 0.00 0.00 68.15 67.94 2c41 h THR 138 CO 0.04 0.30 0.65 0.45 0.37 0.00 0.00 175.52 177.32 2c41 h HIS 139 N 0.55 1.22 -0.45 3.16 3.86 -1.15 -0.96 115.15 121.38 2c41 h HIS 139 Ca 0.13 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.30 2c41 h HIS 139 Cb 0.36 -0.41 -0.02 0.00 1.06 0.00 0.00 27.41 28.40 2c41 h HIS 139 CO 0.02 0.76 0.00 1.96 0.86 0.00 0.00 177.93 181.54 2c41 h GLN 140 N 1.31 0.74 -0.19 2.45 4.20 -0.65 -0.44 115.11 122.53 2c41 h GLN 140 Ca 0.36 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.87 2c41 h GLN 140 Cb -0.13 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.55 2c41 h GLN 140 CO -0.08 0.75 0.05 -0.22 -0.67 0.00 0.00 178.83 178.65 2c41 h LYS 141 N 0.69 0.29 -0.58 1.46 3.64 -0.59 -2.02 116.57 119.47 2c41 h LYS 141 Ca 0.14 -0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.48 2c41 h LYS 141 Cb 0.42 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.16 2c41 h LYS 141 CO 0.02 0.42 0.35 0.45 -2.27 0.00 0.00 179.45 178.42 2c41 h HIS 142 N 0.11 0.65 -0.44 1.91 3.86 -0.92 -1.46 115.15 118.87 2c41 h HIS 142 Ca 0.06 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.28 2c41 h HIS 142 Cb 0.26 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.49 2c41 h HIS 142 CO 0.01 0.37 0.25 -0.09 0.86 0.00 0.00 177.93 179.33 2c41 h ARG 143 N 0.69 0.61 0.13 2.45 2.43 -1.03 -1.42 114.38 118.23 2c41 h ARG 143 Ca 0.24 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 2c41 h ARG 143 Cb 0.03 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 2c41 h ARG 143 CO -0.10 0.47 -0.14 2.35 -1.51 0.00 0.00 179.97 181.04 2c41 h TRP 144 N 0.58 -0.35 -0.35 2.20 7.01 -0.95 -0.71 115.95 123.38 2c41 h TRP 144 Ca 0.16 0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.23 2c41 h TRP 144 Cb 0.03 0.14 -0.07 0.00 -2.10 0.00 0.00 29.16 27.16 2c41 h TRP 144 CO -0.03 -0.21 -0.14 0.74 -2.79 0.00 0.00 178.44 176.01 2c41 h PHE 145 N -0.30 -0.34 -0.36 2.65 -1.00 -1.13 -1.91 116.94 114.57 2c41 h PHE 145 Ca 0.01 0.04 -0.00 0.00 2.81 0.00 0.00 57.97 60.82 2c41 h PHE 145 Cb 0.28 0.20 -0.02 0.00 3.61 0.00 0.00 35.95 40.03 2c41 h PHE 145 CO -0.13 -0.22 0.21 -0.07 -1.61 0.00 0.00 178.31 176.49 2c41 h LEU 146 N -0.08 0.43 -1.22 1.54 4.07 -1.13 -2.67 115.31 116.26 2c41 h LEU 146 Ca 0.17 -0.06 0.04 0.00 0.08 0.00 0.00 57.88 58.11 2c41 h LEU 146 Cb 0.34 -0.11 -0.05 0.00 1.08 0.00 0.00 40.66 41.93 2c41 h LEU 146 CO -0.40 0.36 0.54 0.11 -1.08 0.00 0.00 178.44 177.98 2c41 h LYS 147 N 0.46 0.99 -0.88 1.13 1.57 -0.81 -1.99 116.57 117.03 2c41 h LYS 147 Ca 0.13 -0.06 0.06 0.00 -1.87 0.00 0.00 60.65 58.91 2c41 h LYS 147 Cb 0.01 -0.22 -0.06 0.00 0.08 0.00 0.00 32.23 32.05 2c41 h LYS 147 CO -0.02 0.65 0.57 0.93 -0.57 0.00 0.00 179.45 181.01 2c41 h GLU 148 N 1.02 0.97 0.00 3.15 4.39 -0.99 -1.18 114.58 121.93 2c41 h GLU 148 Ca 0.33 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.96 2c41 h GLU 148 Cb 0.04 -0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 28.47 2c41 h GLU 148 CO -0.10 0.64 -0.04 0.74 -1.16 0.00 0.00 179.01 179.10 2c41 h PHE 149 N 1.00 0.00 -0.01 4.33 -1.00 -1.30 -2.27 116.94 117.70 2c41 h PHE 149 Ca 0.37 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.15 2c41 h PHE 149 Cb 0.18 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.74 2c41 h PHE 149 CO -0.00 0.04 -0.41 1.28 -1.61 0.00 0.00 178.31 177.60 2c41 n LEU 150 N -3.38 1.02 -4.78 1.54 4.32 -0.46 -4.92 117.00 110.34 2c41 n LEU 150 Ca -0.02 -0.28 -0.34 0.00 -0.02 0.00 0.00 56.01 55.35 2c41 n LEU 150 Cb 0.16 -0.13 -0.01 0.00 -1.62 0.00 0.00 43.42 41.83 2c41 n LEU 150 CO 0.25 0.20 0.75 0.00 -1.22 0.00 0.00 177.39 177.38 2c41 s ALA 151 N -2.67 2.74 0.48 -1.18 0.00 -0.86 -5.07 121.76 115.20 2c41 s ALA 151 Ca 0.19 0.71 0.03 0.00 0.00 0.00 0.00 51.96 52.88 2c41 s ALA 151 Cb 0.18 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.96 2c41 s ALA 151 CO 0.60 -0.66 0.02 0.15 0.00 0.00 0.00 175.76 175.87 2c41 s LYS 152 N -3.38 2.11 -0.18 0.00 1.02 -1.26 -4.85 119.74 113.20 2c41 s LYS 152 Ca 0.70 -2.31 0.00 0.00 0.02 0.00 0.00 55.97 54.38 2c41 s LYS 152 Cb -0.21 -1.45 0.00 0.00 -0.52 0.00 0.00 37.83 35.66 2c41 s LYS 152 CO 0.26 -0.30 0.00 0.41 -0.92 0.00 0.00 175.35 174.80 2c41 n GLY 153 N -1.15 0.35 0.27 -3.33 0.00 -1.22 -4.94 105.19 95.17 2c41 n GLY 153 Ca -0.15 -0.85 0.17 0.00 0.00 0.00 0.00 46.02 45.19 2c41 n GLY 153 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2c41 h ASP 154 N 0.00 0.00 0.00 1.61 3.04 -1.81 -3.47 116.42 115.79 2c41 h ASP 154 Ca -0.05 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.74 2c41 h ASP 154 Cb 0.81 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.10 2c41 h ASP 154 CO 0.06 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.87 2c41 n GLY 155 N -0.01 1.22 0.53 7.15 0.00 -0.74 -4.85 105.19 108.49 2c41 n GLY 155 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2c41 n GLY 155 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2c41 n LEU 156 N 0.00 1.22 0.00 0.99 4.77 -1.26 -4.89 117.00 117.83 2c41 n LEU 156 Ca 0.00 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 2c41 n LEU 156 Cb 0.00 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 2c41 n LEU 156 CO 0.00 0.33 0.04 1.33 -1.33 0.00 0.00 177.39 177.76 2c41 n VAL 157 N -3.42 0.00 -1.37 4.08 0.24 -1.26 -5.22 118.33 111.37 2c41 n VAL 157 Ca -0.23 -0.14 0.00 0.00 -2.04 0.00 0.00 64.34 61.93 2c41 n VAL 157 Cb 0.68 1.47 0.00 0.00 -1.47 0.00 0.00 33.84 34.51 2c41 n VAL 157 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15