#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cf4 s GLN 2 N 0.00 1.09 0.51 3.17 -1.52 -1.26 -4.94 119.66 116.70 1cf4 s GLN 2 Ca 0.00 -0.55 0.02 0.00 -1.95 0.00 0.00 55.36 52.88 1cf4 s GLN 2 Cb 0.00 -1.06 0.02 0.00 -0.22 0.00 0.00 33.01 31.75 1cf4 s GLN 2 CO 0.00 0.29 0.73 0.99 -0.25 0.00 0.00 175.29 177.04 1cf4 s THR 3 N -0.43 3.00 0.04 -0.19 2.01 -1.26 -4.86 115.64 113.94 1cf4 s THR 3 Ca 0.05 -0.67 -0.15 0.00 0.31 0.00 0.00 61.69 61.22 1cf4 s THR 3 Cb -0.06 -3.11 0.03 0.00 0.01 0.00 0.00 72.50 69.37 1cf4 s THR 3 CO -0.00 -0.07 0.34 0.27 -0.69 0.00 0.00 174.62 174.47 1cf4 s ILE 4 N -2.67 0.07 -0.25 1.82 -4.36 -1.26 -3.92 121.20 110.63 1cf4 s ILE 4 Ca 0.55 -0.59 0.03 0.00 -0.26 0.00 0.00 60.65 60.38 1cf4 s ILE 4 Cb -0.10 -0.92 0.06 0.00 1.25 0.00 0.00 42.46 42.75 1cf4 s ILE 4 CO 0.38 -0.32 -0.10 -0.54 0.24 0.00 0.00 174.94 174.59 1cf4 s LYS 5 N -2.42 2.15 -0.49 0.37 3.01 -1.26 -4.62 119.74 116.49 1cf4 s LYS 5 Ca -0.06 -1.26 -0.21 0.00 -1.01 0.00 0.00 55.97 53.43 1cf4 s LYS 5 Cb -0.01 -2.82 0.04 0.00 -1.01 0.00 0.00 37.83 34.03 1cf4 s LYS 5 CO -0.02 -0.56 0.70 0.00 0.51 0.00 0.00 175.35 175.97 1cf4 s VAL 7 N 2.98 0.13 0.30 0.00 1.01 -1.26 -3.15 120.40 120.40 1cf4 s VAL 7 Ca 0.21 -0.09 -0.13 0.00 0.00 0.00 0.00 61.98 61.97 1cf4 s VAL 7 Cb -0.16 -0.59 -0.08 0.00 0.00 0.00 0.00 36.38 35.55 1cf4 s VAL 7 CO 0.16 -0.08 0.68 0.54 0.00 0.00 0.00 175.10 176.40 1cf4 s VAL 8 N 2.05 4.75 -0.22 2.92 0.11 -1.26 -3.88 120.40 124.88 1cf4 s VAL 8 Ca 0.02 0.80 -0.12 0.00 -2.93 0.00 0.00 61.98 59.75 1cf4 s VAL 8 Cb -0.15 -3.61 0.07 0.00 -1.53 0.00 0.00 36.38 31.15 1cf4 s VAL 8 CO -0.07 -0.16 0.53 -0.69 -3.33 0.00 0.00 175.10 171.37 1cf4 s VAL 9 N -1.95 -0.01 0.00 2.04 1.01 -1.04 -4.87 120.40 115.57 1cf4 s VAL 9 Ca 0.52 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.55 1cf4 s VAL 9 Cb -0.10 -0.77 0.00 0.00 0.00 0.00 0.00 36.38 35.50 1cf4 s VAL 9 CO 0.19 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.92 1cf4 n GLY 10 N 4.25 4.11 0.31 4.51 0.00 -1.26 -3.82 105.19 113.29 1cf4 n GLY 10 Ca -0.22 -0.77 -0.01 0.00 0.00 0.00 0.00 46.02 45.02 1cf4 n GLY 10 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1cf4 h ASP 11 N 0.00 0.83 0.00 1.61 3.58 -1.99 -3.42 116.42 117.02 1cf4 h ASP 11 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1cf4 h ASP 11 Cb 0.00 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 40.88 1cf4 h ASP 11 CO 0.00 0.56 0.00 0.61 -2.88 0.00 0.00 179.24 177.53 1cf4 n GLY 12 N -1.32 -3.02 0.25 -0.78 0.00 -1.26 -5.02 105.19 94.04 1cf4 n GLY 12 Ca 0.10 -1.01 -0.15 0.00 0.00 0.00 0.00 46.02 44.97 1cf4 n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cf4 n ALA 13 N -3.00 1.32 0.00 4.61 0.00 -1.26 -5.00 120.51 117.18 1cf4 n ALA 13 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.65 1cf4 n ALA 13 Cb 0.00 0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.57 1cf4 n ALA 13 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1cf4 n VAL 14 N -4.21 0.00 -0.74 0.00 0.31 -1.26 -4.35 118.33 108.09 1cf4 n VAL 14 Ca -0.26 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 1cf4 n VAL 14 Cb 0.60 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.53 1cf4 n VAL 14 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1cf4 n GLY 15 N 0.00 0.99 0.31 2.92 0.00 -1.26 -4.79 105.19 103.35 1cf4 n GLY 15 Ca 0.00 -0.47 0.22 0.00 0.00 0.00 0.00 46.02 45.77 1cf4 n GLY 15 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1cf4 n LYS 16 N -1.67 -0.06 -0.08 1.61 3.00 -1.26 0.19 118.16 119.89 1cf4 n LYS 16 Ca 0.00 1.34 -0.07 0.00 -0.00 0.00 0.00 58.31 59.57 1cf4 n LYS 16 Cb 0.13 -2.26 -0.02 0.00 0.00 0.00 0.00 35.03 32.88 1cf4 n LYS 16 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1cf4 n THR 17 N -5.23 1.34 -0.38 3.15 -2.24 -1.26 -4.48 114.28 105.17 1cf4 n THR 17 Ca 0.29 0.19 0.34 0.00 -2.27 0.00 0.00 64.05 62.60 1cf4 n THR 17 Cb 0.96 -2.27 0.68 0.00 -2.10 0.00 0.00 70.33 67.60 1cf4 n THR 17 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cf4 n LEU 19 N -4.35 0.00 0.28 0.00 4.77 0.50 -0.53 117.00 117.66 1cf4 n LEU 19 Ca 0.29 0.90 0.15 0.00 -0.03 0.00 0.00 56.01 57.32 1cf4 n LEU 19 Cb 1.26 -0.40 0.79 0.00 -2.33 0.00 0.00 43.42 42.75 1cf4 n LEU 19 CO 0.34 -0.40 1.01 -0.07 -1.33 0.00 0.00 177.39 176.94 1cf4 h LEU 20 N 0.00 0.00 0.00 2.23 -0.00 -1.72 -2.77 115.31 113.06 1cf4 h LEU 20 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1cf4 h LEU 20 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1cf4 h LEU 20 CO 0.00 0.09 0.00 -0.38 -0.00 0.00 0.00 178.44 178.15 1cf4 n ILE 21 N -3.52 0.00 -0.24 1.22 2.08 -0.45 -2.21 119.36 116.25 1cf4 n ILE 21 Ca -0.02 1.40 0.20 0.00 0.56 0.00 0.00 62.75 64.90 1cf4 n ILE 21 Cb 0.22 -2.40 0.54 0.00 -0.75 0.00 0.00 39.64 37.25 1cf4 n ILE 21 CO 0.00 0.00 0.00 -1.28 0.56 0.00 0.00 176.55 175.83 1cf4 h SER 22 N 0.00 0.36 -0.60 4.38 0.87 -0.82 0.76 113.55 118.51 1cf4 h SER 22 Ca 0.00 0.04 0.07 0.00 -1.23 0.00 0.00 61.79 60.67 1cf4 h SER 22 Cb 0.00 -0.03 -0.06 0.00 -0.44 0.00 0.00 62.40 61.88 1cf4 h SER 22 CO 0.00 0.14 0.29 0.22 -0.53 0.00 0.00 176.83 176.95 1cf4 h TYR 23 N 0.36 0.52 0.00 2.24 3.20 -1.40 -1.16 116.97 120.73 1cf4 h TYR 23 Ca 0.47 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.36 1cf4 h TYR 23 Cb 1.25 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.37 1cf4 h TYR 23 CO -0.00 0.22 -0.54 2.41 -1.64 0.00 0.00 178.16 178.61 1cf4 n THR 24 N -4.89 0.83 -0.11 1.81 -1.04 -0.07 -4.68 114.28 106.14 1cf4 n THR 24 Ca 0.07 0.30 -0.06 0.00 -2.04 0.00 0.00 64.05 62.32 1cf4 n THR 24 Cb 0.20 -1.95 0.12 0.00 -1.82 0.00 0.00 70.33 66.87 1cf4 n THR 24 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1cf4 h THR 25 N -0.54 1.26 -4.51 12.58 1.35 0.28 -3.48 112.91 119.84 1cf4 h THR 25 Ca 0.00 -1.15 -0.18 0.00 -0.55 0.00 0.00 66.41 64.54 1cf4 h THR 25 Cb 0.54 1.00 0.12 0.00 -1.73 0.00 0.00 68.15 68.08 1cf4 h THR 25 CO 0.00 0.40 -0.54 -3.20 -0.25 0.00 0.00 175.52 171.93 1cf4 n ASN 26 N -4.17 -4.09 -3.59 5.36 4.05 -0.44 -4.92 115.26 107.46 1cf4 n ASN 26 Ca 0.02 -0.44 -0.28 0.00 0.45 0.00 0.00 54.58 54.33 1cf4 n ASN 26 Cb 0.36 -3.53 -0.11 0.00 1.23 0.00 0.00 39.78 37.72 1cf4 n ASN 26 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1cf4 s LYS 27 N -4.20 1.33 -0.19 1.20 -0.14 -1.26 -4.92 119.74 111.55 1cf4 s LYS 27 Ca 0.21 -2.31 -0.13 0.00 -1.36 0.00 0.00 55.97 52.38 1cf4 s LYS 27 Cb -0.03 -2.09 -0.20 0.00 -1.68 0.00 0.00 37.83 33.83 1cf4 s LYS 27 CO 0.48 -1.30 0.15 0.34 -0.76 0.00 0.00 175.35 174.26 1cf4 n PHE 28 N 2.91 0.87 -3.13 3.18 7.35 -1.26 -4.67 117.46 122.70 1cf4 n PHE 28 Ca 0.21 0.28 -0.45 0.00 -0.76 0.00 0.00 57.45 56.72 1cf4 n PHE 28 Cb 0.41 -1.10 -0.02 0.00 0.35 0.00 0.00 39.48 39.11 1cf4 n PHE 28 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1cf4 s PRO 29 N -2.47 3.59 0.00 -7.13 0.04 -1.26 -4.75 135.00 123.03 1cf4 s PRO 29 Ca -0.29 -2.11 0.00 0.00 0.04 0.00 0.00 61.00 58.65 1cf4 s PRO 29 Cb 0.08 -4.66 0.00 0.00 0.04 0.00 0.00 34.50 29.96 1cf4 s PRO 29 CO 0.64 -1.53 0.00 0.43 0.04 0.00 0.00 177.00 176.58 1cf4 n SER 30 N 5.25 0.00 -3.65 6.66 7.64 -1.26 -5.15 113.62 123.11 1cf4 n SER 30 Ca 0.18 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 60.01 1cf4 n SER 30 Cb 0.48 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.62 1cf4 n SER 30 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1cf4 s GLU 31 N 0.00 0.63 -0.21 1.43 -1.05 -1.26 -5.15 118.70 113.09 1cf4 s GLU 31 Ca 0.00 1.27 -0.04 0.00 -0.15 0.00 0.00 54.97 56.05 1cf4 s GLU 31 Cb 0.00 0.38 -0.01 0.00 -0.44 0.00 0.00 34.13 34.06 1cf4 s GLU 31 CO 0.00 -0.17 -0.04 0.71 0.95 0.00 0.00 175.26 176.70 1cf4 s TYR 32 N 2.08 2.96 0.20 4.83 1.51 -1.26 -4.85 117.35 122.82 1cf4 s TYR 32 Ca -0.08 -0.82 0.00 0.00 -1.01 0.00 0.00 57.07 55.16 1cf4 s TYR 32 Cb -0.08 -2.07 0.00 0.00 -0.11 0.00 0.00 41.96 39.70 1cf4 s TYR 32 CO -0.19 -0.46 0.00 0.28 -1.11 0.00 0.00 175.55 174.07 1cf4 n VAL 33 N 4.57 0.00 -0.62 0.71 0.31 -1.26 -4.99 118.33 117.04 1cf4 n VAL 33 Ca -0.18 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 63.98 1cf4 n VAL 33 Cb 0.51 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.42 1cf4 n VAL 33 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1cf4 n PRO 34 N -2.85 1.70 -0.15 5.55 -0.04 -1.26 -4.44 135.00 133.51 1cf4 n PRO 34 Ca 0.00 -1.20 0.04 0.00 -0.04 0.00 0.00 63.50 62.30 1cf4 n PRO 34 Cb 0.00 -2.29 0.13 0.00 -0.04 0.00 0.00 33.50 31.30 1cf4 n PRO 34 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1cf4 n THR 35 N 4.05 0.41 0.10 0.52 5.66 -1.26 -3.83 114.28 119.93 1cf4 n THR 35 Ca 0.36 -0.39 -0.04 0.00 -3.05 0.00 0.00 64.05 60.93 1cf4 n THR 35 Cb 0.17 0.16 0.03 0.00 -1.55 0.00 0.00 70.33 69.14 1cf4 n THR 35 CO 0.00 0.00 0.00 -0.37 -3.05 0.00 0.00 175.07 171.65 1cf4 h VAL 36 N 1.66 1.58 -0.46 1.08 -1.51 -1.86 -3.16 116.25 113.58 1cf4 h VAL 36 Ca 0.00 -2.74 0.13 0.00 -1.23 0.00 0.00 66.70 62.86 1cf4 h VAL 36 Cb 0.41 2.48 -0.02 0.00 -2.13 0.00 0.00 31.29 32.04 1cf4 h VAL 36 CO 0.01 0.78 0.56 2.19 -1.23 0.00 0.00 177.57 179.88 1cf4 h PHE 37 N 0.00 0.00 -0.80 5.19 -0.00 -1.97 0.25 116.94 119.61 1cf4 h PHE 37 Ca -0.01 0.00 0.23 0.00 -0.00 0.00 0.00 57.97 58.19 1cf4 h PHE 37 Cb 1.42 0.00 -0.03 0.00 -0.00 0.00 0.00 35.95 37.34 1cf4 h PHE 37 CO 0.00 0.00 0.66 0.22 -0.00 0.00 0.00 178.31 179.19 1cf4 h ASP 38 N 0.00 0.00 -0.30 -0.68 3.58 -1.81 1.21 116.42 118.42 1cf4 h ASP 38 Ca 0.22 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.67 1cf4 h ASP 38 Cb 1.33 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.38 1cf4 h ASP 38 CO -0.00 0.00 0.00 -3.20 -2.88 0.00 0.00 179.24 173.16 1cf4 n ASN 39 N -4.00 2.41 -2.42 2.28 4.05 0.08 -3.97 115.26 113.69 1cf4 n ASN 39 Ca 0.16 -2.19 0.00 0.00 0.45 0.00 0.00 54.58 53.00 1cf4 n ASN 39 Cb 0.94 -0.39 0.00 0.00 1.23 0.00 0.00 39.78 41.57 1cf4 n ASN 39 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1cf4 n TYR 40 N 0.39 -3.16 -3.91 1.20 4.11 0.42 -4.97 117.16 111.24 1cf4 n TYR 40 Ca 0.12 0.00 -0.35 0.00 -0.00 0.00 0.00 57.90 57.67 1cf4 n TYR 40 Cb 0.46 0.00 -0.14 0.00 -0.00 0.00 0.00 39.34 39.66 1cf4 n TYR 40 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1cf4 s ALA 41 N -3.16 2.80 -0.15 -3.48 0.00 -1.26 -4.85 121.76 111.66 1cf4 s ALA 41 Ca 0.00 -1.17 0.01 0.00 0.00 0.00 0.00 51.96 50.80 1cf4 s ALA 41 Cb 0.00 -1.69 0.02 0.00 0.00 0.00 0.00 23.12 21.45 1cf4 s ALA 41 CO 0.00 -0.44 -0.17 0.14 0.00 0.00 0.00 175.76 175.29 1cf4 s VAL 42 N 1.47 1.77 -0.19 0.00 -7.23 -1.26 -5.12 120.40 109.85 1cf4 s VAL 42 Ca 0.06 -0.77 -0.07 0.00 -1.81 0.00 0.00 61.98 59.39 1cf4 s VAL 42 Cb -0.14 -1.62 -0.04 0.00 0.56 0.00 0.00 36.38 35.14 1cf4 s VAL 42 CO -0.04 0.49 0.05 0.28 -0.31 0.00 0.00 175.10 175.58 1cf4 s THR 43 N 1.24 4.62 0.21 5.32 -1.32 -1.26 -4.59 115.64 119.86 1cf4 s THR 43 Ca 0.01 -0.09 -0.14 0.00 -1.21 0.00 0.00 61.69 60.26 1cf4 s THR 43 Cb -0.14 -3.08 0.05 0.00 -1.51 0.00 0.00 72.50 67.82 1cf4 s THR 43 CO -0.08 0.45 0.69 0.55 -2.21 0.00 0.00 174.62 174.02 1cf4 n VAL 44 N 3.69 0.00 -3.37 5.08 3.14 -1.26 -5.05 118.33 120.57 1cf4 n VAL 44 Ca -0.17 -0.58 -0.45 0.00 -2.96 0.00 0.00 64.34 60.19 1cf4 n VAL 44 Cb 0.52 0.66 -0.05 0.00 -1.06 0.00 0.00 33.84 33.92 1cf4 n VAL 44 CO 0.00 0.00 0.00 -0.32 -6.46 0.00 0.00 176.83 170.05 1cf4 s MET 45 N -2.05 3.12 -1.05 1.45 -2.45 -1.26 -2.62 119.30 114.44 1cf4 s MET 45 Ca 0.15 -2.02 -0.23 0.00 -1.25 0.00 0.00 55.69 52.35 1cf4 s MET 45 Cb -0.03 -4.27 -0.00 0.00 1.25 0.00 0.00 34.83 31.78 1cf4 s MET 45 CO 0.06 -1.29 1.74 0.42 1.05 0.00 0.00 175.02 177.00 1cf4 s ILE 46 N 1.00 3.73 0.00 10.11 -1.09 -0.72 -4.85 121.20 129.37 1cf4 s ILE 46 Ca 0.09 -0.83 0.00 0.00 -2.23 0.00 0.00 60.65 57.68 1cf4 s ILE 46 Cb -0.22 -4.64 0.00 0.00 -1.58 0.00 0.00 42.46 36.02 1cf4 s ILE 46 CO -0.02 -1.46 0.00 0.61 -1.23 0.00 0.00 174.94 172.84 1cf4 n GLY 47 N 6.47 0.26 0.00 6.18 0.00 -1.26 -2.86 105.19 113.99 1cf4 n GLY 47 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.42 1cf4 n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cf4 n GLY 48 N 0.00 -3.23 3.06 -0.02 0.00 -1.26 -4.80 105.19 98.94 1cf4 n GLY 48 Ca 0.00 0.69 -0.08 0.00 0.00 0.00 0.00 46.02 46.63 1cf4 n GLY 48 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cf4 s GLU 49 N -1.17 0.52 -0.87 1.61 2.02 -1.13 -4.72 118.70 114.95 1cf4 s GLU 49 Ca 0.00 -0.98 -0.31 0.00 0.02 0.00 0.00 54.97 53.70 1cf4 s GLU 49 Cb 0.00 0.18 -0.19 0.00 0.10 0.00 0.00 34.13 34.22 1cf4 s GLU 49 CO 0.00 -0.10 2.60 -0.35 0.02 0.00 0.00 175.26 177.44 1cf4 n PRO 50 N 0.64 0.18 -3.59 0.39 -0.04 -1.26 -3.82 135.00 127.51 1cf4 n PRO 50 Ca -0.18 0.01 -0.07 0.00 -0.04 0.00 0.00 63.50 63.22 1cf4 n PRO 50 Cb 0.59 -1.81 -0.04 0.00 -0.04 0.00 0.00 33.50 32.20 1cf4 n PRO 50 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1cf4 s TYR 51 N 9.21 -0.23 0.06 0.54 6.14 -1.08 -4.92 117.35 127.08 1cf4 s TYR 51 Ca 1.29 0.31 0.01 0.00 0.64 0.00 0.00 57.07 59.32 1cf4 s TYR 51 Cb -1.11 0.49 -0.03 0.00 0.42 0.00 0.00 41.96 41.73 1cf4 s TYR 51 CO 0.47 -0.25 -0.06 0.95 0.64 0.00 0.00 175.55 177.29 1cf4 s THR 52 N -1.64 0.50 0.37 4.34 -4.23 -1.26 -1.76 115.64 111.95 1cf4 s THR 52 Ca 0.04 -1.40 0.07 0.00 -1.18 0.00 0.00 61.69 59.22 1cf4 s THR 52 Cb -0.01 -0.99 -0.00 0.00 1.34 0.00 0.00 72.50 72.84 1cf4 s THR 52 CO -0.03 -0.61 0.51 -1.48 -0.54 0.00 0.00 174.62 172.46 1cf4 s LEU 53 N -2.15 3.86 -0.65 4.79 -0.00 -1.26 -5.03 118.68 118.24 1cf4 s LEU 53 Ca -0.02 -0.22 0.00 0.00 -0.00 0.00 0.00 54.13 53.88 1cf4 s LEU 53 Cb -0.03 -2.75 0.16 0.00 -0.00 0.00 0.00 46.19 43.57 1cf4 s LEU 53 CO -0.02 -0.55 0.45 -0.83 -0.00 0.00 0.00 176.35 175.40 1cf4 s GLY 54 N -4.23 2.63 -1.01 -3.48 0.00 -1.26 -4.70 107.32 95.28 1cf4 s GLY 54 Ca 0.48 -3.43 -0.27 0.00 0.00 0.00 0.00 44.72 41.50 1cf4 s GLY 54 CO 0.32 1.09 2.20 1.08 0.00 0.00 0.00 173.10 177.79 1cf4 s LEU 55 N -0.50 2.48 -0.57 0.66 1.02 -1.25 -4.64 118.68 115.87 1cf4 s LEU 55 Ca 0.19 -0.69 -0.25 0.00 0.02 0.00 0.00 54.13 53.40 1cf4 s LEU 55 Cb -0.18 -2.59 0.04 0.00 0.02 0.00 0.00 46.19 43.48 1cf4 s LEU 55 CO -0.05 -4.58 1.03 0.72 0.02 0.00 0.00 176.35 173.49 1cf4 s PHE 56 N 16.59 2.72 0.50 0.29 -0.71 -1.19 -3.64 117.98 132.54 1cf4 s PHE 56 Ca 0.85 0.09 0.06 0.00 -1.04 0.00 0.00 56.93 56.89 1cf4 s PHE 56 Cb -0.07 -4.23 0.09 0.00 -1.21 0.00 0.00 43.02 37.60 1cf4 s PHE 56 CO 0.16 -1.45 0.69 -0.40 -1.34 0.00 0.00 175.22 172.87 1cf4 n ASP 57 N 7.82 1.57 -4.95 1.98 5.68 -1.26 -4.65 116.55 122.74 1cf4 n ASP 57 Ca 0.04 -2.17 -0.23 0.00 -0.50 0.00 0.00 54.79 51.92 1cf4 n ASP 57 Cb 0.48 -0.39 -0.00 0.00 -1.14 0.00 0.00 41.12 40.06 1cf4 n ASP 57 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1cf4 s THR 58 N -2.06 4.74 0.13 2.12 -4.23 -1.26 -4.90 115.64 110.17 1cf4 s THR 58 Ca 0.51 -0.51 -0.24 0.00 -1.18 0.00 0.00 61.69 60.27 1cf4 s THR 58 Cb -0.04 -3.73 0.08 0.00 1.34 0.00 0.00 72.50 70.15 1cf4 s THR 58 CO 0.33 -0.47 1.11 0.00 -0.54 0.00 0.00 174.62 175.05 1cf4 s ALA 59 N -2.37 -1.85 -0.14 3.99 0.00 -1.26 -4.77 121.76 115.35 1cf4 s ALA 59 Ca 0.43 -0.27 0.14 0.00 0.00 0.00 0.00 51.96 52.26 1cf4 s ALA 59 Cb -0.10 0.82 0.32 0.00 0.00 0.00 0.00 23.12 24.16 1cf4 s ALA 59 CO 0.36 -1.09 1.20 0.41 0.00 0.00 0.00 175.76 176.64 1cf4 n GLY 60 N -0.78 1.29 1.28 0.00 0.00 -1.26 -4.72 105.19 100.99 1cf4 n GLY 60 Ca -0.00 -0.47 -0.07 0.00 0.00 0.00 0.00 46.02 45.47 1cf4 n GLY 60 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1cf4 n LEU 61 N -0.40 0.00 0.05 0.99 7.99 -1.25 -4.91 117.00 119.47 1cf4 n LEU 61 Ca -0.10 -0.75 0.22 0.00 -0.01 0.00 0.00 56.01 55.37 1cf4 n LEU 61 Cb 0.88 -0.18 0.70 0.00 -0.11 0.00 0.00 43.42 44.71 1cf4 n LEU 61 CO -0.08 -0.62 1.19 -0.33 -1.51 0.00 0.00 177.39 176.04 1cf4 h GLU 62 N 0.00 0.00 0.04 3.23 4.39 -2.00 -1.28 114.58 118.96 1cf4 h GLU 62 Ca -0.10 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.63 1cf4 h GLU 62 Cb 0.40 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.01 1cf4 h GLU 62 CO 0.12 0.00 -0.29 0.22 -1.16 0.00 0.00 179.01 177.90 1cf4 h ASP 63 N 0.00 -0.85 -4.48 1.42 1.82 -2.00 -3.43 116.42 108.90 1cf4 h ASP 63 Ca 0.24 0.11 -0.35 0.00 -0.39 0.00 0.00 57.03 56.63 1cf4 h ASP 63 Cb 1.35 0.34 -0.20 0.00 0.68 0.00 0.00 39.33 41.50 1cf4 h ASP 63 CO -0.00 -0.36 -0.75 -0.31 -1.61 0.00 0.00 179.24 176.20 1cf4 s TYR 64 N -6.03 1.06 -0.02 0.28 2.02 -0.48 -5.10 117.35 109.07 1cf4 s TYR 64 Ca -0.16 -0.54 -0.01 0.00 -0.37 0.00 0.00 57.07 56.00 1cf4 s TYR 64 Cb 0.09 -0.59 -0.00 0.00 -0.40 0.00 0.00 41.96 41.05 1cf4 s TYR 64 CO 0.65 0.01 -0.02 0.22 -1.57 0.00 0.00 175.55 174.85 1cf4 h ASP 65 N 4.04 0.00 0.00 2.29 1.82 -1.85 -3.31 116.42 119.41 1cf4 h ASP 65 Ca -0.39 0.00 -0.21 0.00 -0.39 0.00 0.00 57.03 56.04 1cf4 h ASP 65 Cb 1.19 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 41.17 1cf4 h ASP 65 CO 0.45 0.11 -1.30 0.54 -1.61 0.00 0.00 179.24 177.43 1cf4 n ARG 66 N -2.59 0.55 -2.73 0.28 5.12 -1.26 -4.88 116.66 111.16 1cf4 n ARG 66 Ca -0.01 0.51 -0.04 0.00 -1.93 0.00 0.00 57.85 56.38 1cf4 n ARG 66 Cb 0.03 -1.69 -0.03 0.00 -1.16 0.00 0.00 32.46 29.60 1cf4 n ARG 66 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1cf4 n LEU 67 N -4.44 -5.99 -3.05 0.55 0.00 -1.26 -4.93 117.00 97.88 1cf4 n LEU 67 Ca -0.30 1.92 -0.21 0.00 0.00 0.00 0.00 56.01 57.43 1cf4 n LEU 67 Cb 0.63 -2.92 -0.03 0.00 0.00 0.00 0.00 43.42 41.10 1cf4 n LEU 67 CO 0.15 -3.68 -0.09 0.54 0.00 0.00 0.00 177.39 174.31 1cf4 n ARG 68 N 1.77 1.80 0.15 1.96 5.12 -1.26 -4.87 116.66 121.33 1cf4 n ARG 68 Ca -0.29 -3.89 0.08 0.00 -1.93 0.00 0.00 57.85 51.83 1cf4 n ARG 68 Cb 0.47 -1.87 0.07 0.00 -1.16 0.00 0.00 32.46 29.97 1cf4 n ARG 68 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1cf4 h PRO 69 N 2.98 0.00 -0.04 5.56 0.13 -1.97 -3.25 132.00 135.41 1cf4 h PRO 69 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1cf4 h PRO 69 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1cf4 h PRO 69 CO 0.62 0.14 0.00 1.47 -0.23 0.00 0.00 178.00 180.00 1cf4 n LEU 70 N -3.00 0.89 0.00 1.56 -0.00 -1.26 -4.01 117.00 111.19 1cf4 n LEU 70 Ca 0.01 -0.32 0.00 0.00 -0.00 0.00 0.00 56.01 55.70 1cf4 n LEU 70 Cb 0.61 -0.02 0.00 0.00 -0.00 0.00 0.00 43.42 44.02 1cf4 n LEU 70 CO 0.38 0.16 0.22 -0.24 -0.00 0.00 0.00 177.39 177.91 1cf4 n SER 71 N -0.27 0.00 -3.51 1.45 2.88 -1.23 -4.57 113.62 108.37 1cf4 n SER 71 Ca 0.19 0.68 -0.27 0.00 -1.33 0.00 0.00 58.87 58.14 1cf4 n SER 71 Cb 0.24 -0.44 -0.09 0.00 -0.75 0.00 0.00 64.21 63.17 1cf4 n SER 71 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1cf4 n TYR 72 N -1.83 3.19 -2.69 0.66 4.19 -1.26 -4.11 117.16 115.32 1cf4 n TYR 72 Ca 0.00 -4.14 -0.39 0.00 3.31 0.00 0.00 57.90 56.68 1cf4 n TYR 72 Cb 0.00 -0.54 -0.06 0.00 0.49 0.00 0.00 39.34 39.23 1cf4 n TYR 72 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 1cf4 s PRO 73 N -2.11 4.75 -0.01 2.98 0.04 -1.26 -4.96 135.00 134.43 1cf4 s PRO 73 Ca 0.36 1.53 0.20 0.00 0.04 0.00 0.00 61.00 63.13 1cf4 s PRO 73 Cb 0.10 -3.16 0.60 0.00 0.04 0.00 0.00 34.50 32.08 1cf4 s PRO 73 CO -0.06 0.40 1.50 0.94 0.04 0.00 0.00 177.00 179.82 1cf4 n GLN 74 N 1.23 2.83 -0.09 4.56 -0.06 -1.26 -4.53 117.38 120.07 1cf4 n GLN 74 Ca -0.01 -2.59 -0.11 0.00 -2.00 0.00 0.00 57.00 52.29 1cf4 n GLN 74 Cb 0.47 -1.55 0.11 0.00 -4.06 0.00 0.00 30.24 25.22 1cf4 n GLN 74 CO 0.00 0.00 0.00 -2.37 -0.20 0.00 0.00 177.06 174.49 1cf4 n THR 75 N 1.42 0.00 -0.81 1.69 5.66 -1.26 -5.00 114.28 115.98 1cf4 n THR 75 Ca 0.23 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.23 1cf4 n THR 75 Cb 0.61 -0.37 0.00 0.00 -1.55 0.00 0.00 70.33 69.03 1cf4 n THR 75 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1cf4 n ASP 76 N -3.97 0.34 -3.33 1.09 -0.08 -1.26 -4.92 116.55 104.42 1cf4 n ASP 76 Ca 0.05 -1.15 -0.10 0.00 -1.51 0.00 0.00 54.79 52.08 1cf4 n ASP 76 Cb 0.22 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.62 1cf4 n ASP 76 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1cf4 s VAL 77 N -0.15 -0.59 0.47 5.18 1.01 -1.26 -4.10 120.40 120.96 1cf4 s VAL 77 Ca 0.00 -0.31 0.07 0.00 0.00 0.00 0.00 61.98 61.74 1cf4 s VAL 77 Cb 0.00 -0.97 0.07 0.00 0.00 0.00 0.00 36.38 35.48 1cf4 s VAL 77 CO 0.00 -0.30 0.58 0.49 0.00 0.00 0.00 175.10 175.87 1cf4 n PHE 78 N 5.35 -2.07 -3.46 5.22 3.72 0.21 -4.54 117.46 121.88 1cf4 n PHE 78 Ca -0.00 -1.75 -0.06 0.00 -0.05 0.00 0.00 57.45 55.59 1cf4 n PHE 78 Cb 0.49 -0.43 -0.07 0.00 -0.94 0.00 0.00 39.48 38.53 1cf4 n PHE 78 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1cf4 s LEU 79 N 0.00 -0.83 0.27 4.37 2.96 -1.25 -3.18 118.68 121.02 1cf4 s LEU 79 Ca 0.44 0.76 -0.02 0.00 -0.22 0.00 0.00 54.13 55.10 1cf4 s LEU 79 Cb -0.04 1.52 -0.04 0.00 0.50 0.00 0.00 46.19 48.13 1cf4 s LEU 79 CO 0.28 -0.26 0.49 0.68 -1.32 0.00 0.00 176.35 176.22 1cf4 s VAL 80 N 2.67 5.12 0.30 1.68 -7.23 -0.88 -2.50 120.40 119.55 1cf4 s VAL 80 Ca 0.07 -0.26 0.04 0.00 -1.81 0.00 0.00 61.98 60.02 1cf4 s VAL 80 Cb -0.14 -3.77 -0.06 0.00 0.56 0.00 0.00 36.38 32.97 1cf4 s VAL 80 CO -0.16 -0.34 0.04 0.00 -0.31 0.00 0.00 175.10 174.34 1cf4 n PHE 82 N -0.62 0.00 -3.55 0.00 1.16 -1.26 -4.64 117.46 108.55 1cf4 n PHE 82 Ca -0.03 0.00 -0.34 0.00 -1.87 0.00 0.00 57.45 55.21 1cf4 n PHE 82 Cb 0.66 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.48 1cf4 n PHE 82 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 1cf4 s SER 83 N 0.00 6.64 0.00 5.98 1.04 -1.26 -4.85 113.70 121.25 1cf4 s SER 83 Ca 0.00 0.81 0.00 0.00 0.48 0.00 0.00 55.95 57.24 1cf4 s SER 83 Cb 0.00 -2.18 0.00 0.00 0.10 0.00 0.00 66.02 63.94 1cf4 s SER 83 CO 0.00 0.12 0.80 0.52 0.98 0.00 0.00 173.24 175.67 1cf4 n VAL 84 N 0.68 0.00 -1.39 5.02 0.31 -1.26 -4.43 118.33 117.25 1cf4 n VAL 84 Ca -0.06 1.30 -0.50 0.00 -0.01 0.00 0.00 64.34 65.07 1cf4 n VAL 84 Cb 0.52 -2.09 -0.12 0.00 -0.91 0.00 0.00 33.84 31.25 1cf4 n VAL 84 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1cf4 n VAL 85 N -1.76 0.03 -3.73 2.52 0.24 -1.26 -3.34 118.33 111.03 1cf4 n VAL 85 Ca 0.00 -0.10 -0.13 0.00 -2.04 0.00 0.00 64.34 62.07 1cf4 n VAL 85 Cb 0.00 -0.86 -0.10 0.00 -1.47 0.00 0.00 33.84 31.41 1cf4 n VAL 85 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1cf4 s SER 86 N 7.73 -0.44 -0.80 -1.34 1.04 -1.26 -5.03 113.70 113.60 1cf4 s SER 86 Ca 1.22 0.83 -0.04 0.00 0.48 0.00 0.00 55.95 58.44 1cf4 s SER 86 Cb -1.21 0.82 0.11 0.00 0.10 0.00 0.00 66.02 65.84 1cf4 s SER 86 CO 0.54 -0.15 2.54 -0.81 0.98 0.00 0.00 173.24 176.35 1cf4 n PRO 87 N 3.05 3.34 -1.87 4.02 -0.04 -1.26 -4.37 135.00 137.86 1cf4 n PRO 87 Ca -0.15 -2.93 0.00 0.00 -0.04 0.00 0.00 63.50 60.39 1cf4 n PRO 87 Cb 0.57 -2.33 0.00 0.00 -0.04 0.00 0.00 33.50 31.69 1cf4 n PRO 87 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1cf4 n SER 88 N 1.02 -0.96 0.07 3.54 2.88 -1.26 -4.41 113.62 114.50 1cf4 n SER 88 Ca 0.54 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 58.11 1cf4 n SER 88 Cb 0.41 -0.46 -0.04 0.00 -0.75 0.00 0.00 64.21 63.36 1cf4 n SER 88 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1cf4 h SER 89 N 0.00 0.00 0.06 -3.46 0.87 -1.98 -3.37 113.55 105.67 1cf4 h SER 89 Ca 0.00 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.57 1cf4 h SER 89 Cb 0.93 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.86 1cf4 h SER 89 CO 0.00 0.44 -0.30 0.15 -0.53 0.00 0.00 176.83 176.59 1cf4 h PHE 90 N 0.00 -0.87 -0.96 2.24 3.57 -1.92 0.72 116.94 119.71 1cf4 h PHE 90 Ca -0.10 0.02 0.19 0.00 3.53 0.00 0.00 57.97 61.61 1cf4 h PHE 90 Cb 1.43 0.37 -0.09 0.00 2.79 0.00 0.00 35.95 40.45 1cf4 h PHE 90 CO 0.00 -0.33 0.61 0.93 -2.23 0.00 0.00 178.31 177.29 1cf4 h GLU 91 N -0.42 0.60 0.36 1.11 5.08 -2.00 0.77 114.58 120.08 1cf4 h GLU 91 Ca -0.00 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1cf4 h GLU 91 Cb 0.42 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1cf4 h GLU 91 CO -0.17 0.39 -0.17 -0.91 -1.00 0.00 0.00 179.01 177.15 1cf4 h ASN 92 N 0.61 -0.41 -0.69 1.42 4.21 -1.45 -2.56 115.58 116.72 1cf4 h ASN 92 Ca 0.52 0.01 0.15 0.00 1.21 0.00 0.00 56.30 58.19 1cf4 h ASN 92 Cb 1.00 0.10 -0.11 0.00 -1.12 0.00 0.00 38.32 38.20 1cf4 h ASN 92 CO -0.28 -0.17 0.11 0.58 -1.29 0.00 0.00 177.43 176.38 1cf4 h VAL 93 N -0.71 0.50 0.37 2.81 2.07 0.71 0.65 116.25 122.65 1cf4 h VAL 93 Ca -0.05 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 1cf4 h VAL 93 Cb 0.37 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 1cf4 h VAL 93 CO 0.08 0.04 -0.48 0.50 0.02 0.00 0.00 177.57 177.73 1cf4 h LYS 94 N 0.21 -0.85 -0.13 1.57 3.64 -0.93 1.29 116.57 121.38 1cf4 h LYS 94 Ca 0.38 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.82 1cf4 h LYS 94 Cb 0.64 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 1cf4 h LYS 94 CO -0.52 -0.57 0.00 0.39 -2.27 0.00 0.00 179.45 176.48 1cf4 n GLU 95 N -5.53 1.30 -0.02 1.90 1.02 -0.87 -2.23 120.64 116.21 1cf4 n GLU 95 Ca -0.10 -0.46 -0.02 0.00 -0.02 0.00 0.00 57.16 56.55 1cf4 n GLU 95 Cb 0.43 -1.10 -0.02 0.00 -0.02 0.00 0.00 31.44 30.72 1cf4 n GLU 95 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1cf4 n LYS 96 N -0.13 2.44 -0.09 3.49 4.81 0.22 -4.64 118.16 124.26 1cf4 n LYS 96 Ca 0.05 0.01 -0.23 0.00 -0.87 0.00 0.00 58.31 57.26 1cf4 n LYS 96 Cb 0.11 -1.08 -0.12 0.00 0.02 0.00 0.00 35.03 33.96 1cf4 n LYS 96 CO 0.00 0.00 0.00 0.91 1.17 0.00 0.00 177.40 179.48 1cf4 n TRP 97 N -2.27 0.65 -0.24 5.64 5.03 0.44 -3.69 117.44 122.98 1cf4 n TRP 97 Ca -0.06 0.20 0.03 0.00 3.03 0.00 0.00 57.50 60.70 1cf4 n TRP 97 Cb 0.60 -1.08 0.15 0.00 -1.03 0.00 0.00 31.31 29.95 1cf4 n TRP 97 CO 0.00 0.00 0.00 0.28 -0.03 0.00 0.00 177.69 177.94 1cf4 h VAL 98 N -0.51 0.75 0.00 -0.99 2.07 -1.55 1.28 116.25 117.30 1cf4 h VAL 98 Ca -0.50 -0.17 -0.08 0.00 0.82 0.00 0.00 66.70 66.77 1cf4 h VAL 98 Cb 1.70 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1cf4 h VAL 98 CO -0.16 0.09 -0.36 -0.65 0.02 0.00 0.00 177.57 176.52 1cf4 h PRO 99 N 0.50 0.00 0.00 1.57 0.11 -1.77 -3.23 132.00 129.18 1cf4 h PRO 99 Ca 0.37 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.27 1cf4 h PRO 99 Cb 0.49 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.57 1cf4 h PRO 99 CO -0.33 0.36 -1.14 0.93 -0.21 0.00 0.00 178.00 177.60 1cf4 h GLU 100 N 0.00 0.01 -0.40 1.05 5.08 -1.33 -2.83 114.58 116.15 1cf4 h GLU 100 Ca -0.00 -0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.46 1cf4 h GLU 100 Cb 1.08 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 1cf4 h GLU 100 CO 0.05 1.01 0.53 0.97 -1.00 0.00 0.00 179.01 180.56 1cf4 h ILE 101 N -0.97 0.25 0.00 3.13 2.10 0.15 0.26 117.51 122.44 1cf4 h ILE 101 Ca -0.31 0.00 -0.30 0.00 1.08 0.00 0.00 64.86 65.32 1cf4 h ILE 101 Cb 1.30 0.56 -0.06 0.00 -1.09 0.00 0.00 36.82 37.53 1cf4 h ILE 101 CO -0.18 0.00 -2.14 0.35 -1.08 0.00 0.00 178.15 175.11 1cf4 n THR 102 N -3.48 1.29 0.01 2.19 -2.24 -1.21 -3.39 114.28 107.44 1cf4 n THR 102 Ca 0.07 -0.80 -0.01 0.00 -2.27 0.00 0.00 64.05 61.05 1cf4 n THR 102 Cb 0.70 -0.56 -0.00 0.00 -2.10 0.00 0.00 70.33 68.37 1cf4 n THR 102 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1cf4 h HIS 103 N 0.00 -0.03 -0.65 4.78 -0.00 -0.29 -3.37 115.15 115.59 1cf4 h HIS 103 Ca -0.41 -0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 59.92 1cf4 h HIS 103 Cb 2.03 0.01 -0.03 0.00 -0.00 0.00 0.00 27.41 29.42 1cf4 h HIS 103 CO 0.00 -0.02 0.28 0.45 -0.00 0.00 0.00 177.93 178.64 1cf4 h HIS 104 N -0.08 0.97 -3.50 5.26 -0.00 -1.40 -3.43 115.15 112.97 1cf4 h HIS 104 Ca -0.00 -0.06 -0.66 0.00 -0.00 0.00 0.00 60.37 59.64 1cf4 h HIS 104 Cb 0.03 -0.29 -0.15 0.00 -0.00 0.00 0.00 27.41 26.99 1cf4 h HIS 104 CO 0.08 0.75 -0.70 0.00 -0.00 0.00 0.00 177.93 178.05 1cf4 n PRO 106 N 0.89 -1.03 -1.32 0.00 -0.02 -1.26 -3.36 135.00 128.90 1cf4 n PRO 106 Ca -0.13 -0.28 -0.28 0.00 -2.02 0.00 0.00 63.50 60.79 1cf4 n PRO 106 Cb 0.52 -1.56 -0.08 0.00 -0.02 0.00 0.00 33.50 32.36 1cf4 n PRO 106 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1cf4 n LYS 107 N -0.94 3.04 -1.99 -0.52 0.00 -1.26 -4.45 118.16 112.04 1cf4 n LYS 107 Ca 0.01 -1.97 -0.32 0.00 0.00 0.00 0.00 58.31 56.03 1cf4 n LYS 107 Cb 0.63 -2.39 0.01 0.00 0.00 0.00 0.00 35.03 33.28 1cf4 n LYS 107 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1cf4 s THR 108 N 0.64 4.20 1.10 3.15 -4.23 -1.26 -5.04 115.64 114.20 1cf4 s THR 108 Ca 0.65 0.91 -0.12 0.00 -1.18 0.00 0.00 61.69 61.95 1cf4 s THR 108 Cb 0.26 -3.56 0.25 0.00 1.34 0.00 0.00 72.50 70.79 1cf4 s THR 108 CO -0.07 -0.75 1.06 -2.84 -0.54 0.00 0.00 174.62 171.49 1cf4 s PRO 109 N -4.49 -0.44 -0.23 3.99 0.02 -1.26 -4.77 135.00 127.82 1cf4 s PRO 109 Ca 0.60 1.07 -0.26 0.00 0.02 0.00 0.00 61.00 62.42 1cf4 s PRO 109 Cb -0.13 -1.59 0.09 0.00 0.02 0.00 0.00 34.50 32.89 1cf4 s PRO 109 CO 0.43 -3.47 0.83 -0.59 -0.33 0.00 0.00 177.00 173.87 1cf4 s PHE 110 N -2.49 -0.64 0.25 6.54 -0.71 -1.25 -0.62 117.98 119.06 1cf4 s PHE 110 Ca 0.68 1.47 0.08 0.00 -1.04 0.00 0.00 56.93 58.12 1cf4 s PHE 110 Cb -0.25 0.33 -0.04 0.00 -1.21 0.00 0.00 43.02 41.86 1cf4 s PHE 110 CO 0.63 -0.37 0.12 -1.17 -1.34 0.00 0.00 175.22 173.09 1cf4 s LEU 111 N -0.04 3.58 -0.19 -1.99 0.20 -1.19 -3.04 118.68 116.01 1cf4 s LEU 111 Ca -0.01 -0.39 -0.06 0.00 0.69 0.00 0.00 54.13 54.36 1cf4 s LEU 111 Cb -0.04 -2.11 -0.03 0.00 -0.43 0.00 0.00 46.19 43.58 1cf4 s LEU 111 CO 0.00 -0.02 0.03 -0.76 -0.29 0.00 0.00 176.35 175.31 1cf4 s LEU 112 N -3.73 3.53 -0.12 -0.68 2.01 -1.24 -2.08 118.68 116.37 1cf4 s LEU 112 Ca 0.32 -0.05 -0.20 0.00 0.01 0.00 0.00 54.13 54.21 1cf4 s LEU 112 Cb -0.07 -1.89 -0.04 0.00 0.01 0.00 0.00 46.19 44.20 1cf4 s LEU 112 CO 0.23 0.13 0.57 -0.69 1.01 0.00 0.00 176.35 177.60 1cf4 s VAL 113 N 0.60 5.12 -0.38 -1.59 1.01 -1.24 -4.01 120.40 119.90 1cf4 s VAL 113 Ca 0.01 1.12 -0.04 0.00 0.00 0.00 0.00 61.98 63.08 1cf4 s VAL 113 Cb -0.14 -3.90 0.09 0.00 0.00 0.00 0.00 36.38 32.43 1cf4 s VAL 113 CO 0.02 0.26 0.16 -0.83 0.00 0.00 0.00 175.10 174.70 1cf4 s GLY 114 N 0.81 1.92 0.00 4.51 0.00 -0.97 -4.64 107.32 108.96 1cf4 s GLY 114 Ca 0.29 -2.25 0.00 0.00 0.00 0.00 0.00 44.72 42.76 1cf4 s GLY 114 CO 0.12 0.93 0.00 -1.30 0.00 0.00 0.00 173.10 172.85 1cf4 n THR 115 N 4.66 0.00 -2.43 0.90 -2.24 -1.16 0.16 114.28 114.17 1cf4 n THR 115 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1cf4 n THR 115 Cb 0.42 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 1cf4 n THR 115 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1cf4 n GLN 116 N 0.00 -2.93 0.00 -0.78 7.27 -1.26 -4.69 117.38 114.99 1cf4 n GLN 116 Ca 0.00 0.00 0.11 0.00 0.07 0.00 0.00 57.00 57.18 1cf4 n GLN 116 Cb 0.00 -4.36 0.58 0.00 2.41 0.00 0.00 30.24 28.87 1cf4 n GLN 116 CO 0.00 0.00 0.00 0.44 0.07 0.00 0.00 177.06 177.57 1cf4 n ILE 117 N -2.42 0.24 -0.03 1.69 -0.00 -1.26 -2.57 119.36 115.02 1cf4 n ILE 117 Ca 0.00 0.06 0.07 0.00 -0.00 0.00 0.00 62.75 62.88 1cf4 n ILE 117 Cb 0.48 -0.70 -0.17 0.00 -0.00 0.00 0.00 39.64 39.26 1cf4 n ILE 117 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 1cf4 n ASP 118 N -1.22 0.07 0.14 7.28 -0.08 -1.26 -4.31 116.55 117.17 1cf4 n ASP 118 Ca 0.12 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.39 1cf4 n ASP 118 Cb 0.15 1.79 0.17 0.00 2.34 0.00 0.00 41.12 45.56 1cf4 n ASP 118 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1cf4 h LEU 119 N 0.00 0.00 -1.45 -2.67 -0.00 -1.87 -3.15 115.31 106.16 1cf4 h LEU 119 Ca -0.11 0.00 0.31 0.00 -0.00 0.00 0.00 57.88 58.08 1cf4 h LEU 119 Cb 1.24 0.00 -0.10 0.00 -0.00 0.00 0.00 40.66 41.80 1cf4 h LEU 119 CO 0.01 0.62 0.73 0.03 -0.00 0.00 0.00 178.44 179.83 1cf4 h ARG 120 N 0.00 0.27 0.02 1.13 3.08 -1.75 0.22 114.38 117.35 1cf4 h ARG 120 Ca -0.01 -0.02 -0.21 0.00 0.07 0.00 0.00 59.98 59.82 1cf4 h ARG 120 Cb 1.12 -0.06 0.02 0.00 0.08 0.00 0.00 29.97 31.13 1cf4 h ARG 120 CO 0.08 0.18 -0.81 0.22 -1.07 0.00 0.00 179.97 178.56 1cf4 h ASP 121 N 0.28 0.68 -0.56 7.04 1.82 -1.83 -3.44 116.42 120.41 1cf4 h ASP 121 Ca 0.64 -0.77 -0.50 0.00 -0.39 0.00 0.00 57.03 56.01 1cf4 h ASP 121 Cb 1.84 -0.21 -0.05 0.00 0.68 0.00 0.00 39.33 41.59 1cf4 h ASP 121 CO -0.29 1.37 1.70 -0.67 -1.61 0.00 0.00 179.24 179.74 1cf4 n ASP 122 N -4.06 1.03 0.00 2.28 -0.08 0.76 -4.75 116.55 111.73 1cf4 n ASP 122 Ca -0.11 -0.03 0.09 0.00 -1.51 0.00 0.00 54.79 53.22 1cf4 n ASP 122 Cb 0.78 -1.15 0.48 0.00 2.34 0.00 0.00 41.12 43.56 1cf4 n ASP 122 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1cf4 n PRO 123 N 8.64 0.36 -0.02 -0.67 -0.02 -1.26 -2.47 135.00 139.56 1cf4 n PRO 123 Ca 0.55 0.08 -0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1cf4 n PRO 123 Cb 0.21 -1.50 -0.00 0.00 -0.02 0.00 0.00 33.50 32.18 1cf4 n PRO 123 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1cf4 h SER 124 N 0.00 -0.02 -1.00 2.55 0.87 -1.93 -2.59 113.55 111.43 1cf4 h SER 124 Ca 0.00 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.59 1cf4 h SER 124 Cb 0.11 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.02 1cf4 h SER 124 CO 0.00 0.27 0.65 0.74 -0.53 0.00 0.00 176.83 177.97 1cf4 h THR 125 N -0.60 1.19 -0.61 2.23 2.02 -1.91 -1.25 112.91 113.98 1cf4 h THR 125 Ca -0.00 -0.44 0.09 0.00 0.77 0.00 0.00 66.41 66.83 1cf4 h THR 125 Cb 0.02 -0.20 -0.07 0.00 -1.74 0.00 0.00 68.15 66.15 1cf4 h THR 125 CO 0.00 0.23 0.22 -0.29 0.37 0.00 0.00 175.52 176.06 1cf4 h ILE 126 N 1.28 0.77 -0.71 3.11 6.09 -1.62 0.13 117.51 126.55 1cf4 h ILE 126 Ca 0.39 -0.14 0.06 0.00 -1.37 0.00 0.00 64.86 63.81 1cf4 h ILE 126 Cb -0.03 0.33 -0.04 0.00 0.47 0.00 0.00 36.82 37.54 1cf4 h ILE 126 CO -0.12 0.07 0.47 -0.33 -3.07 0.00 0.00 178.15 175.17 1cf4 h GLU 127 N 0.40 0.71 -0.05 2.19 4.39 -0.82 0.27 114.58 121.68 1cf4 h GLU 127 Ca 0.31 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.91 1cf4 h GLU 127 Cb 0.38 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 1cf4 h GLU 127 CO -0.31 0.47 -0.21 0.87 -1.16 0.00 0.00 179.01 178.67 1cf4 h LYS 128 N 0.73 0.08 -0.10 2.33 6.56 -0.40 -1.75 116.57 124.02 1cf4 h LYS 128 Ca 0.31 -0.02 -0.22 0.00 -1.06 0.00 0.00 60.65 59.66 1cf4 h LYS 128 Cb 0.27 -0.01 0.01 0.00 -0.57 0.00 0.00 32.23 31.93 1cf4 h LYS 128 CO -0.10 0.29 -0.79 -0.07 -2.06 0.00 0.00 179.45 176.72 1cf4 h LEU 129 N 0.07 0.87 -1.30 2.94 3.38 0.12 -3.17 115.31 118.22 1cf4 h LEU 129 Ca 0.01 -0.66 0.40 0.00 0.09 0.00 0.00 57.88 57.72 1cf4 h LEU 129 Cb 0.42 -0.26 -0.13 0.00 0.09 0.00 0.00 40.66 40.78 1cf4 h LEU 129 CO 0.03 1.40 0.76 0.00 0.09 0.00 0.00 178.44 180.72 1cf4 h ALA 130 N 0.49 2.52 -0.85 1.53 0.00 0.12 1.69 119.26 124.76 1cf4 h ALA 130 Ca -0.07 0.14 0.25 0.00 0.00 0.00 0.00 54.91 55.22 1cf4 h ALA 130 Cb 1.43 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 19.38 1cf4 h ALA 130 CO 0.16 -1.14 0.66 0.87 0.00 0.00 0.00 179.25 179.80 1cf4 h LYS 131 N 0.14 0.00 0.00 0.00 1.79 -1.51 -3.05 116.57 113.95 1cf4 h LYS 131 Ca 0.79 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.26 1cf4 h LYS 131 Cb 2.31 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.96 1cf4 h LYS 131 CO -0.47 0.00 -0.81 0.09 -1.08 0.00 0.00 179.45 177.18 1cf4 n ASN 132 N -4.12 3.94 0.00 0.86 4.13 0.40 -5.08 115.26 115.39 1cf4 n ASN 132 Ca 0.18 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.44 1cf4 n ASN 132 Cb 0.96 0.36 0.00 0.00 -1.54 0.00 0.00 39.78 39.56 1cf4 n ASN 132 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1cf4 n LYS 133 N -1.77 0.00 0.00 3.52 4.76 0.48 -4.69 118.16 120.46 1cf4 n LYS 133 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1cf4 n LYS 133 Cb 0.40 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.59 1cf4 n LYS 133 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1cf4 n GLN 134 N 0.00 0.00 -2.07 1.97 10.64 -1.20 -4.14 117.38 122.58 1cf4 n GLN 134 Ca 0.00 0.00 -0.43 0.00 -1.83 0.00 0.00 57.00 54.74 1cf4 n GLN 134 Cb 0.00 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.35 1cf4 n GLN 134 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.06 173.64 1cf4 s LYS 135 N 0.00 3.45 -0.07 2.61 -2.85 -1.26 -4.81 119.74 116.80 1cf4 s LYS 135 Ca 0.00 1.40 -0.28 0.00 -1.00 0.00 0.00 55.97 56.09 1cf4 s LYS 135 Cb 0.00 -4.15 -0.02 0.00 -2.06 0.00 0.00 37.83 31.60 1cf4 s LYS 135 CO 0.00 -1.72 0.91 -1.25 0.10 0.00 0.00 175.35 173.39 1cf4 s PRO 136 N 5.39 4.45 -0.62 1.78 0.04 -1.26 -4.64 135.00 140.15 1cf4 s PRO 136 Ca 0.76 1.24 -0.26 0.00 0.04 0.00 0.00 61.00 62.78 1cf4 s PRO 136 Cb -0.22 -3.50 -0.10 0.00 0.04 0.00 0.00 34.50 30.72 1cf4 s PRO 136 CO 0.33 -0.15 2.43 -0.89 0.04 0.00 0.00 177.00 178.76 1cf4 n ILE 137 N 4.19 -0.06 -1.69 0.56 2.08 -1.21 -4.92 119.36 118.32 1cf4 n ILE 137 Ca 0.05 -0.67 -0.33 0.00 0.56 0.00 0.00 62.75 62.36 1cf4 n ILE 137 Cb 0.50 -2.40 0.05 0.00 -0.75 0.00 0.00 39.64 37.04 1cf4 n ILE 137 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1cf4 s THR 138 N 12.68 3.32 0.61 1.39 -4.23 -1.26 -4.56 115.64 123.59 1cf4 s THR 138 Ca 0.99 0.58 0.28 0.00 -1.18 0.00 0.00 61.69 62.36 1cf4 s THR 138 Cb -0.22 -3.10 0.35 0.00 1.34 0.00 0.00 72.50 70.87 1cf4 s THR 138 CO 0.22 -0.42 1.83 1.55 -0.54 0.00 0.00 174.62 177.26 1cf4 h PRO 139 N -0.15 0.00 0.09 3.99 0.13 -1.96 0.18 132.00 134.28 1cf4 h PRO 139 Ca -0.46 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.55 1cf4 h PRO 139 Cb 1.24 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.38 1cf4 h PRO 139 CO 0.54 0.00 -0.53 0.93 -0.23 0.00 0.00 178.00 178.71 1cf4 h GLU 140 N 0.00 0.20 -0.57 0.86 4.39 -1.99 -3.25 114.58 114.22 1cf4 h GLU 140 Ca 0.18 -0.34 0.06 0.00 0.34 0.00 0.00 59.36 59.61 1cf4 h GLU 140 Cb 1.23 0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 29.95 1cf4 h GLU 140 CO -0.00 1.15 0.28 1.15 -1.16 0.00 0.00 179.01 180.43 1cf4 h THR 141 N -0.57 0.91 -0.32 1.13 2.02 -1.33 -2.29 112.91 112.45 1cf4 h THR 141 Ca -0.09 -0.18 0.07 0.00 0.77 0.00 0.00 66.41 66.98 1cf4 h THR 141 Cb 1.41 0.34 -0.07 0.00 -1.74 0.00 0.00 68.15 68.09 1cf4 h THR 141 CO 0.10 0.10 -0.17 0.00 0.37 0.00 0.00 175.52 175.92 1cf4 h ALA 142 N 1.33 0.08 -0.98 6.16 0.00 -1.50 -0.32 119.26 124.03 1cf4 h ALA 142 Ca 0.27 0.12 0.14 0.00 0.00 0.00 0.00 54.91 55.43 1cf4 h ALA 142 Cb 0.21 0.40 -0.09 0.00 0.00 0.00 0.00 17.79 18.32 1cf4 h ALA 142 CO -0.20 -0.55 0.62 1.49 0.00 0.00 0.00 179.25 180.60 1cf4 h GLU 143 N -0.12 0.88 0.14 0.00 4.57 -1.46 0.43 114.58 119.01 1cf4 h GLU 143 Ca 0.17 -0.05 0.02 0.00 -1.18 0.00 0.00 59.36 58.31 1cf4 h GLU 143 Cb 0.37 -0.20 -0.04 0.00 -0.16 0.00 0.00 28.75 28.73 1cf4 h GLU 143 CO -0.40 0.58 -0.33 -0.22 -1.18 0.00 0.00 179.01 177.46 1cf4 h LYS 144 N 0.90 -0.55 -0.29 1.92 1.63 -0.66 -0.14 116.57 119.39 1cf4 h LYS 144 Ca 0.50 0.04 -0.14 0.00 -0.85 0.00 0.00 60.65 60.20 1cf4 h LYS 144 Cb 0.60 0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.35 1cf4 h LYS 144 CO -0.27 -0.36 -0.39 1.25 -3.45 0.00 0.00 179.45 176.23 1cf4 h LEU 145 N -0.57 0.71 0.00 5.20 6.46 -1.04 -1.41 115.31 124.66 1cf4 h LEU 145 Ca 0.03 -0.31 0.00 0.00 -0.12 0.00 0.00 57.88 57.47 1cf4 h LEU 145 Cb 0.59 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 40.32 1cf4 h LEU 145 CO -0.19 1.02 0.00 0.00 -0.62 0.00 0.00 178.44 178.65 1cf4 n ALA 146 N -2.51 -0.29 0.30 1.25 0.00 0.15 -2.37 120.51 117.04 1cf4 n ALA 146 Ca -0.02 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.60 1cf4 n ALA 146 Cb 0.52 0.13 0.98 0.00 0.00 0.00 0.00 19.45 21.07 1cf4 n ALA 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cf4 h ARG 147 N 0.00 0.00 -1.00 0.00 3.08 -1.15 -2.42 114.38 112.89 1cf4 h ARG 147 Ca 0.00 0.00 0.24 0.00 0.07 0.00 0.00 59.98 60.29 1cf4 h ARG 147 Cb 0.00 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 29.96 1cf4 h ARG 147 CO 0.00 0.02 0.64 -0.44 -1.07 0.00 0.00 179.97 179.12 1cf4 h ASP 148 N 0.00 0.53 -0.22 7.04 5.19 -0.86 0.19 116.42 128.28 1cf4 h ASP 148 Ca -0.00 0.08 -0.01 0.00 -0.62 0.00 0.00 57.03 56.48 1cf4 h ASP 148 Cb 0.08 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.58 1cf4 h ASP 148 CO 0.00 0.14 -0.00 0.18 -3.12 0.00 0.00 179.24 176.44 1cf4 n LEU 149 N -4.65 3.63 -3.99 1.55 4.77 -0.93 -4.97 117.00 112.40 1cf4 n LEU 149 Ca 0.24 -3.08 -0.26 0.00 -0.03 0.00 0.00 56.01 52.87 1cf4 n LEU 149 Cb 0.77 -0.53 -0.02 0.00 -2.33 0.00 0.00 43.42 41.30 1cf4 n LEU 149 CO 0.25 0.72 -0.22 0.29 -1.33 0.00 0.00 177.39 177.09 1cf4 n LYS 150 N -0.72 -3.22 0.00 3.23 5.02 0.66 -4.93 118.16 118.20 1cf4 n LYS 150 Ca 0.21 0.39 0.00 0.00 -2.02 0.00 0.00 58.31 56.89 1cf4 n LYS 150 Cb 0.86 -4.55 0.00 0.00 -0.02 0.00 0.00 35.03 31.32 1cf4 n LYS 150 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1cf4 n ALA 151 N -4.41 0.00 -0.51 7.82 0.00 -1.11 -4.94 120.51 117.37 1cf4 n ALA 151 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1cf4 n ALA 151 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.12 1cf4 n ALA 151 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1cf4 n VAL 152 N -0.41 0.00 -3.65 0.00 0.31 -1.17 -4.32 118.33 109.09 1cf4 n VAL 152 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1cf4 n VAL 152 Cb 0.00 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.87 1cf4 n VAL 152 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1cf4 s LYS 153 N -0.49 0.15 -0.45 5.55 2.47 -1.26 -4.95 119.74 120.76 1cf4 s LYS 153 Ca 0.00 0.26 -0.11 0.00 -1.56 0.00 0.00 55.97 54.55 1cf4 s LYS 153 Cb 0.00 0.04 0.09 0.00 -1.46 0.00 0.00 37.83 36.49 1cf4 s LYS 153 CO 0.00 -0.03 0.33 -0.47 0.16 0.00 0.00 175.35 175.34 1cf4 s TYR 154 N 1.01 3.32 0.33 4.03 6.14 -1.26 -3.63 117.35 127.29 1cf4 s TYR 154 Ca -0.07 -1.42 0.07 0.00 0.64 0.00 0.00 57.07 56.29 1cf4 s TYR 154 Cb -0.03 -3.17 -0.02 0.00 0.42 0.00 0.00 41.96 39.16 1cf4 s TYR 154 CO -0.12 -0.87 0.40 0.08 0.64 0.00 0.00 175.55 175.68 1cf4 s VAL 155 N 1.48 4.00 -0.01 3.14 1.01 -1.26 -4.87 120.40 123.90 1cf4 s VAL 155 Ca 0.04 -1.13 -0.19 0.00 0.00 0.00 0.00 61.98 60.70 1cf4 s VAL 155 Cb -0.24 -3.37 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 1cf4 s VAL 155 CO 0.03 -0.18 0.55 -0.70 0.00 0.00 0.00 175.10 174.80 1cf4 s GLU 156 N -4.09 4.25 -0.30 2.72 2.12 -1.26 -2.29 118.70 119.85 1cf4 s GLU 156 Ca 0.43 0.66 -0.16 0.00 0.36 0.00 0.00 54.97 56.25 1cf4 s GLU 156 Cb -0.08 -3.32 0.21 0.00 0.26 0.00 0.00 34.13 31.20 1cf4 s GLU 156 CO 0.29 0.43 1.26 0.00 -0.54 0.00 0.00 175.26 176.70 1cf4 s SER 158 N 1.09 2.19 -0.09 0.00 0.15 -1.26 -2.98 113.70 112.80 1cf4 s SER 158 Ca -0.08 -0.35 -0.18 0.00 0.70 0.00 0.00 55.95 56.04 1cf4 s SER 158 Cb -0.02 -0.24 -0.28 0.00 -1.71 0.00 0.00 66.02 63.77 1cf4 s SER 158 CO -0.10 0.22 0.65 0.00 1.20 0.00 0.00 173.24 175.21 1cf4 h ALA 159 N 5.62 0.09 -1.11 5.45 0.00 -1.96 1.27 119.26 128.61 1cf4 h ALA 159 Ca -0.38 -0.96 0.31 0.00 0.00 0.00 0.00 54.91 53.88 1cf4 h ALA 159 Cb 1.15 0.36 -0.09 0.00 0.00 0.00 0.00 17.79 19.21 1cf4 h ALA 159 CO 0.48 0.67 0.74 1.37 0.00 0.00 0.00 179.25 182.50 1cf4 h LEU 160 N -0.36 0.32 0.00 0.00 8.10 -1.99 -1.65 115.31 119.73 1cf4 h LEU 160 Ca -0.25 0.07 0.00 0.00 0.11 0.00 0.00 57.88 57.81 1cf4 h LEU 160 Cb 1.69 0.03 0.00 0.00 -0.44 0.00 0.00 40.66 41.94 1cf4 h LEU 160 CO 0.08 0.03 -0.79 1.07 -4.11 0.00 0.00 178.44 174.72 1cf4 n THR 161 N -4.54 0.00 -2.28 0.15 5.66 -1.25 -5.04 114.28 106.97 1cf4 n THR 161 Ca 0.27 -0.22 -0.02 0.00 -3.05 0.00 0.00 64.05 61.02 1cf4 n THR 161 Cb 1.04 0.65 0.01 0.00 -1.55 0.00 0.00 70.33 70.48 1cf4 n THR 161 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 1cf4 n GLN 162 N -1.42 -0.78 -0.69 1.09 7.27 0.36 -4.94 117.38 118.27 1cf4 n GLN 162 Ca -0.00 0.80 -0.01 0.00 0.07 0.00 0.00 57.00 57.86 1cf4 n GLN 162 Cb 0.09 -3.58 0.24 0.00 2.41 0.00 0.00 30.24 29.41 1cf4 n GLN 162 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1cf4 n LYS 163 N -1.68 3.21 0.00 3.69 4.81 0.28 -4.80 118.16 123.67 1cf4 n LYS 163 Ca -0.01 -2.16 0.00 0.00 -0.87 0.00 0.00 58.31 55.27 1cf4 n LYS 163 Cb 0.52 -1.98 0.00 0.00 0.02 0.00 0.00 35.03 33.59 1cf4 n LYS 163 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1cf4 n GLY 164 N 0.14 0.91 0.41 3.14 0.00 -1.26 -4.41 105.19 104.12 1cf4 n GLY 164 Ca 0.25 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.49 1cf4 n GLY 164 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1cf4 h LEU 165 N 0.00 0.00 -1.37 0.99 5.85 -1.86 0.96 115.31 119.87 1cf4 h LEU 165 Ca 0.00 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 1cf4 h LEU 165 Cb 0.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1cf4 h LEU 165 CO 0.00 0.00 -0.26 0.50 -0.34 0.00 0.00 178.44 178.34 1cf4 h LYS 166 N 0.00 0.00 0.00 1.25 3.64 -1.93 -2.74 116.57 116.79 1cf4 h LYS 166 Ca 0.23 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1cf4 h LYS 166 Cb 1.40 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.22 1cf4 h LYS 166 CO -0.00 0.26 0.00 -1.71 -2.27 0.00 0.00 179.45 175.73 1cf4 n ASN 167 N -3.66 0.00 -0.27 4.20 5.15 0.33 0.16 115.26 121.17 1cf4 n ASN 167 Ca -0.01 0.89 0.05 0.00 -0.60 0.00 0.00 54.58 54.91 1cf4 n ASN 167 Cb 0.38 -0.39 0.19 0.00 -0.53 0.00 0.00 39.78 39.43 1cf4 n ASN 167 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 1cf4 h VAL 168 N 0.00 0.72 -0.31 3.44 2.07 -1.69 0.26 116.25 120.75 1cf4 h VAL 168 Ca 0.00 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 1cf4 h VAL 168 Cb 0.00 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 29.89 1cf4 h VAL 168 CO 0.00 0.10 0.05 0.15 0.02 0.00 0.00 177.57 177.89 1cf4 h PHE 169 N 0.54 0.45 0.00 1.57 3.57 -1.44 -1.17 116.94 120.46 1cf4 h PHE 169 Ca 0.42 -0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.83 1cf4 h PHE 169 Cb 0.58 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 1cf4 h PHE 169 CO -0.13 0.42 -0.28 0.22 -2.23 0.00 0.00 178.31 176.32 1cf4 h ASP 170 N 0.44 0.00 1.02 0.41 3.58 0.50 -2.03 116.42 120.34 1cf4 h ASP 170 Ca 0.10 0.00 -0.18 0.00 0.42 0.00 0.00 57.03 57.37 1cf4 h ASP 170 Cb 0.22 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.24 1cf4 h ASP 170 CO 0.00 0.28 -0.86 -0.33 -2.88 0.00 0.00 179.24 175.45 1cf4 h GLU 171 N 0.00 0.00 -0.03 0.28 4.39 -0.10 -2.42 114.58 116.70 1cf4 h GLU 171 Ca -0.00 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.53 1cf4 h GLU 171 Cb 0.70 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.37 1cf4 h GLU 171 CO 0.04 0.86 -0.62 0.00 -1.16 0.00 0.00 179.01 178.12 1cf4 h ALA 172 N 1.14 0.12 -0.28 3.43 0.00 -1.01 -3.18 119.26 119.48 1cf4 h ALA 172 Ca -0.01 -0.56 -0.12 0.00 0.00 0.00 0.00 54.91 54.21 1cf4 h ALA 172 Cb 1.60 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 1cf4 h ALA 172 CO 0.11 0.40 -0.34 -0.84 0.00 0.00 0.00 179.25 178.59 1cf4 h ILE 173 N 0.03 1.29 -0.78 0.00 -0.00 -1.45 -3.03 117.51 113.56 1cf4 h ILE 173 Ca -0.07 -1.47 0.09 0.00 -0.00 0.00 0.00 64.86 63.42 1cf4 h ILE 173 Cb 1.31 1.44 -0.07 0.00 -0.00 0.00 0.00 36.82 39.50 1cf4 h ILE 173 CO 0.12 0.47 0.43 0.25 -0.00 0.00 0.00 178.15 179.43 1cf4 h LEU 174 N 0.51 0.61 -1.77 0.16 5.85 -1.48 0.29 115.31 119.48 1cf4 h LEU 174 Ca 0.06 0.05 0.24 0.00 0.84 0.00 0.00 57.88 59.07 1cf4 h LEU 174 Cb 0.83 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 1cf4 h LEU 174 CO 0.07 0.35 0.77 0.00 -0.34 0.00 0.00 178.44 179.29 1cf4 h ALA 175 N 1.44 2.67 0.11 1.25 0.00 -1.51 1.06 119.26 124.27 1cf4 h ALA 175 Ca 0.38 -0.03 -0.28 0.00 0.00 0.00 0.00 54.91 54.98 1cf4 h ALA 175 Cb 0.35 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1cf4 h ALA 175 CO -0.25 -1.20 -1.46 0.00 0.00 0.00 0.00 179.25 176.34 1cf4 h ALA 176 N 1.23 0.21 0.00 0.00 0.00 -1.10 -2.28 119.26 117.32 1cf4 h ALA 176 Ca 0.39 -1.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.12 1cf4 h ALA 176 Cb 1.94 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 20.24 1cf4 h ALA 176 CO -0.00 0.87 -0.30 -0.07 0.00 0.00 0.00 179.25 179.74 1cf4 h LEU 177 N -0.31 0.00 -5.48 0.00 3.38 -0.22 -3.42 115.31 109.26 1cf4 h LEU 177 Ca -0.32 0.00 0.13 0.00 0.09 0.00 0.00 57.88 57.79 1cf4 h LEU 177 Cb 1.76 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 42.33 1cf4 h LEU 177 CO 0.04 0.30 -0.12 -0.70 0.09 0.00 0.00 178.44 178.06 1cf4 s GLU 178 N -3.95 0.22 -0.55 1.13 -6.30 0.33 -4.86 118.70 104.72 1cf4 s GLU 178 Ca -0.02 -0.01 -0.34 0.00 -2.50 0.00 0.00 54.97 52.10 1cf4 s GLU 178 Cb 0.13 0.04 -0.15 0.00 0.00 0.00 0.00 34.13 34.15 1cf4 s GLU 178 CO 0.67 -0.34 2.34 -2.30 0.02 0.00 0.00 175.26 175.65 1cf4 n PRO 179 N 4.12 0.62 -0.95 4.30 -0.02 -0.86 -4.32 135.00 137.90 1cf4 n PRO 179 Ca 0.07 0.12 -0.29 0.00 -2.02 0.00 0.00 63.50 61.38 1cf4 n PRO 179 Cb 0.61 -2.21 0.22 0.00 -0.02 0.00 0.00 33.50 32.10 1cf4 n PRO 179 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1cf4 s PRO 180 N 7.17 -0.52 -0.09 0.52 0.04 -1.26 -5.04 135.00 135.83 1cf4 s PRO 180 Ca 1.16 0.43 -0.00 0.00 0.04 0.00 0.00 61.00 62.63 1cf4 s PRO 180 Cb -0.96 -1.63 -0.03 0.00 0.04 0.00 0.00 34.50 31.91 1cf4 s PRO 180 CO 0.48 -3.35 -0.06 -1.83 0.04 0.00 0.00 177.00 172.28 1cf4 s GLU 181 N -4.93 2.95 0.00 4.56 -1.05 -1.26 -5.10 118.70 113.86 1cf4 s GLU 181 Ca 0.67 -0.54 0.00 0.00 -0.15 0.00 0.00 54.97 54.95 1cf4 s GLU 181 Cb -0.18 -2.66 0.00 0.00 -0.44 0.00 0.00 34.13 30.85 1cf4 s GLU 181 CO 0.59 0.57 0.00 -0.35 0.95 0.00 0.00 175.26 177.02 1cf4 n PRO 182 N 2.50 0.45 -3.62 -4.83 -0.04 -1.26 -5.08 135.00 123.13 1cf4 n PRO 182 Ca -0.18 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 62.99 1cf4 n PRO 182 Cb 0.53 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.85 1cf4 n PRO 182 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1cf4 s LYS 183 N -1.55 0.55 0.00 0.54 0.00 -1.26 -5.22 119.74 112.80 1cf4 s LYS 183 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 55.97 54.96 1cf4 s LYS 183 Cb 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 37.83 36.22 1cf4 s LYS 183 CO 0.00 -1.05 0.41 1.63 0.00 0.00 0.00 175.35 176.34