#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m1d n ASP 42 N 0.00 4.13 0.26 9.48 2.03 -1.26 -4.74 116.55 126.45 3m1d n ASP 42 Ca 0.00 -3.46 -0.10 0.00 0.52 0.00 0.00 54.79 51.75 3m1d n ASP 42 Cb 0.00 -0.79 -0.05 0.00 -0.72 0.00 0.00 41.12 39.56 3m1d n ASP 42 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 3m1d h PHE 43 N 1.70 -0.63 0.00 -0.67 3.57 -2.06 -2.31 116.94 116.54 3m1d h PHE 43 Ca 0.45 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.86 3m1d h PHE 43 Cb 2.57 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 41.50 3m1d h PHE 43 CO 1.43 -0.39 -0.39 0.66 -2.23 0.00 0.00 178.31 177.38 3m1d h SER 44 N -0.89 0.00 -0.20 0.41 4.64 -2.00 -3.25 113.55 112.26 3m1d h SER 44 Ca -0.07 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.24 3m1d h SER 44 Cb 0.52 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.60 3m1d h SER 44 CO 0.11 0.39 0.10 0.00 -0.87 0.00 0.00 176.83 176.56 3m1d h GLU 46 N 0.20 0.74 -0.34 0.00 4.81 -1.46 -0.25 114.58 118.27 3m1d h GLU 46 Ca 0.07 -0.09 -0.09 0.00 -0.13 0.00 0.00 59.36 59.12 3m1d h GLU 46 Cb 0.11 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 3m1d h GLU 46 CO -0.01 0.57 -0.14 -0.07 -0.73 0.00 0.00 179.01 178.63 3m1d h LEU 47 N 0.74 0.72 -0.28 1.64 3.38 -1.44 -0.99 115.31 119.07 3m1d h LEU 47 Ca 0.19 -0.40 0.03 0.00 0.09 0.00 0.00 57.88 57.79 3m1d h LEU 47 Cb 0.07 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3m1d h LEU 47 CO -0.03 0.95 0.07 0.22 0.09 0.00 0.00 178.44 179.75 3m1d h TYR 48 N 0.48 0.13 -0.49 1.13 3.20 -0.16 -1.90 116.97 119.35 3m1d h TYR 48 Ca 0.08 0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.04 3m1d h TYR 48 Cb 0.67 -0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.86 3m1d h TYR 48 CO 0.06 0.05 0.13 0.00 -1.64 0.00 0.00 178.16 176.76 3m1d h ARG 49 N 0.19 0.27 -0.62 1.82 3.08 -0.74 -1.38 114.38 117.00 3m1d h ARG 49 Ca 0.13 -0.02 0.11 0.00 0.07 0.00 0.00 59.98 60.27 3m1d h ARG 49 Cb 0.11 -0.06 -0.08 0.00 0.08 0.00 0.00 29.97 30.02 3m1d h ARG 49 CO -0.15 0.18 0.16 0.52 -1.07 0.00 0.00 179.97 179.61 3m1d h MET 50 N 0.28 0.29 -0.19 0.04 2.86 -0.84 -1.28 114.93 116.10 3m1d h MET 50 Ca 0.24 -0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.92 3m1d h MET 50 Cb 0.30 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 3m1d h MET 50 CO -0.29 0.19 0.16 0.66 1.06 0.00 0.00 176.91 178.70 3m1d h SER 51 N 0.30 0.00 0.73 1.22 4.64 -0.45 -1.46 113.55 118.53 3m1d h SER 51 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 3m1d h SER 51 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3m1d h SER 51 CO -0.39 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 175.92 3m1d n THR 52 N -4.13 0.77 1.34 2.95 -2.24 -0.48 -2.73 114.28 109.77 3m1d n THR 52 Ca 0.02 0.16 0.08 0.00 -2.27 0.00 0.00 64.05 62.04 3m1d n THR 52 Cb 0.29 -0.95 0.32 0.00 -2.10 0.00 0.00 70.33 67.90 3m1d n THR 52 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3m1d n TYR 53 N -1.80 0.22 -0.11 4.78 4.01 -0.55 -4.15 117.16 119.57 3m1d n TYR 53 Ca 0.04 -0.11 0.17 0.00 -0.16 0.00 0.00 57.90 57.84 3m1d n TYR 53 Cb 0.23 0.00 0.57 0.00 -0.31 0.00 0.00 39.34 39.83 3m1d n TYR 53 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3m1d h SER 54 N 1.60 0.25 -0.31 7.72 4.64 -1.70 -0.18 113.55 125.57 3m1d h SER 54 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3m1d h SER 54 Cb 0.35 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3m1d h SER 54 CO 0.00 0.13 0.00 0.35 -0.87 0.00 0.00 176.83 176.44 3m1d n THR 55 N -4.44 0.44 -1.67 2.95 -2.24 -1.26 -5.00 114.28 103.06 3m1d n THR 55 Ca 0.13 -0.72 -0.44 0.00 -2.27 0.00 0.00 64.05 60.75 3m1d n THR 55 Cb 0.55 1.03 -0.02 0.00 -2.10 0.00 0.00 70.33 69.79 3m1d n THR 55 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 3m1d n PHE 56 N 1.30 2.11 -1.98 4.78 7.35 -0.08 -4.90 117.46 126.04 3m1d n PHE 56 Ca 0.17 0.50 -0.38 0.00 -0.76 0.00 0.00 57.45 56.98 3m1d n PHE 56 Cb 0.55 -2.42 0.02 0.00 0.35 0.00 0.00 39.48 37.98 3m1d n PHE 56 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 3m1d s PRO 57 N -1.04 3.43 0.24 -7.13 0.02 -1.26 -4.94 135.00 124.33 3m1d s PRO 57 Ca 0.63 2.06 -0.06 0.00 0.02 0.00 0.00 61.00 63.65 3m1d s PRO 57 Cb -0.63 -2.35 0.29 0.00 0.02 0.00 0.00 34.50 31.83 3m1d s PRO 57 CO 0.55 -0.90 1.89 0.00 -0.33 0.00 0.00 177.00 178.22 3m1d h ALA 58 N 1.77 1.23 -0.26 -1.55 0.00 -2.00 -3.23 119.26 115.22 3m1d h ALA 58 Ca -0.50 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3m1d h ALA 58 Cb 1.28 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3m1d h ALA 58 CO 0.59 0.49 0.00 0.41 0.00 0.00 0.00 179.25 180.74 3m1d n GLY 59 N -1.35 0.36 3.70 0.00 0.00 -1.26 -4.91 105.19 101.73 3m1d n GLY 59 Ca 0.12 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 3m1d n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3m1d s VAL 60 N -1.66 3.46 -0.59 1.61 1.01 -1.22 -4.90 120.40 118.11 3m1d s VAL 60 Ca 0.25 0.99 0.02 0.00 0.00 0.00 0.00 61.98 63.24 3m1d s VAL 60 Cb 0.13 -3.63 0.17 0.00 0.00 0.00 0.00 36.38 33.05 3m1d s VAL 60 CO 0.18 0.04 0.92 -0.81 0.00 0.00 0.00 175.10 175.44 3m1d n PRO 61 N 4.55 1.68 -4.26 2.72 -0.05 -1.26 -4.74 135.00 133.65 3m1d n PRO 61 Ca 0.12 -0.70 -0.17 0.00 -0.05 0.00 0.00 63.50 62.70 3m1d n PRO 61 Cb 0.43 -1.54 -0.14 0.00 -0.05 0.00 0.00 33.50 32.20 3m1d n PRO 61 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 175.50 175.59 3m1d s VAL 62 N -1.18 0.62 0.42 0.52 -7.23 -1.26 -4.31 120.40 107.97 3m1d s VAL 62 Ca 0.12 -0.46 -0.25 0.00 -1.81 0.00 0.00 61.98 59.59 3m1d s VAL 62 Cb 0.10 -0.54 -0.08 0.00 0.56 0.00 0.00 36.38 36.41 3m1d s VAL 62 CO 0.03 0.09 1.18 -0.94 -0.31 0.00 0.00 175.10 175.15 3m1d s SER 63 N -0.42 6.41 0.27 4.85 1.04 -1.26 -4.94 113.70 119.65 3m1d s SER 63 Ca 0.01 2.37 -0.00 0.00 0.48 0.00 0.00 55.95 58.81 3m1d s SER 63 Cb -0.04 -2.61 0.36 0.00 0.10 0.00 0.00 66.02 63.83 3m1d s SER 63 CO -0.00 -0.75 1.74 -0.33 0.98 0.00 0.00 173.24 174.87 3m1d h GLU 64 N 2.49 0.66 -0.60 4.02 3.07 -1.99 -2.18 114.58 120.05 3m1d h GLU 64 Ca -0.49 -0.21 -0.02 0.00 -0.50 0.00 0.00 59.36 58.14 3m1d h GLU 64 Cb 1.24 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 29.06 3m1d h GLU 64 CO 0.62 0.76 0.30 0.00 -1.40 0.00 0.00 179.01 179.29 3m1d h ARG 65 N 0.61 0.87 -0.63 2.33 3.08 -1.97 -0.33 114.38 118.34 3m1d h ARG 65 Ca 0.11 -0.12 -0.09 0.00 0.07 0.00 0.00 59.98 59.94 3m1d h ARG 65 Cb 0.55 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 3m1d h ARG 65 CO 0.03 0.69 0.04 0.66 -1.07 0.00 0.00 179.97 180.33 3m1d h SER 66 N 0.83 1.04 0.10 7.04 4.64 -1.90 0.23 113.55 125.53 3m1d h SER 66 Ca 0.21 -0.28 -0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3m1d h SER 66 Cb 0.11 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 61.92 3m1d h SER 66 CO -0.03 1.07 -0.06 -0.07 -0.87 0.00 0.00 176.83 176.87 3m1d h LEU 67 N 0.99 -0.16 -0.84 5.97 3.38 -1.09 -1.26 115.31 122.30 3m1d h LEU 67 Ca 0.18 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 3m1d h LEU 67 Cb 0.51 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 3m1d h LEU 67 CO 0.02 -0.10 0.31 0.00 0.09 0.00 0.00 178.44 178.76 3m1d h ALA 68 N 0.74 1.08 -0.22 1.53 0.00 -0.86 -1.31 119.26 120.21 3m1d h ALA 68 Ca -0.01 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 3m1d h ALA 68 Cb 0.14 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3m1d h ALA 68 CO 0.01 0.65 -0.04 0.00 0.00 0.00 0.00 179.25 179.87 3m1d h ARG 69 N 1.13 0.34 -0.00 0.00 3.08 -0.82 -1.77 114.38 116.34 3m1d h ARG 69 Ca 0.26 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.24 3m1d h ARG 69 Cb 0.22 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3m1d h ARG 69 CO -0.02 0.40 0.00 0.00 -1.07 0.00 0.00 179.97 179.28 3m1d n ALA 70 N -2.49 2.60 -0.12 0.04 0.00 -0.49 -4.85 120.51 115.20 3m1d n ALA 70 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3m1d n ALA 70 Cb 0.23 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.39 3m1d n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m1d n GLY 71 N 0.78 0.72 3.80 0.00 0.00 -0.66 -4.87 105.19 104.96 3m1d n GLY 71 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 3m1d n GLY 71 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3m1d s PHE 72 N -2.14 3.59 0.33 1.61 0.08 -0.59 -1.21 117.98 119.65 3m1d s PHE 72 Ca 0.00 0.72 0.08 0.00 0.12 0.00 0.00 56.93 57.86 3m1d s PHE 72 Cb 0.00 -2.23 -0.04 0.00 -0.57 0.00 0.00 43.02 40.17 3m1d s PHE 72 CO 0.00 0.49 0.12 1.52 -0.10 0.00 0.00 175.22 177.25 3m1d s TYR 73 N -0.41 2.70 -0.08 0.36 -0.85 0.20 -3.55 117.35 115.72 3m1d s TYR 73 Ca 0.19 -0.36 -0.20 0.00 -0.52 0.00 0.00 57.07 56.18 3m1d s TYR 73 Cb -0.14 -1.58 -0.04 0.00 0.38 0.00 0.00 41.96 40.58 3m1d s TYR 73 CO 0.07 0.38 0.54 -0.47 -1.52 0.00 0.00 175.55 174.56 3m1d s TYR 74 N -2.41 3.57 -0.44 -3.49 5.04 -1.26 -0.87 117.35 117.48 3m1d s TYR 74 Ca 0.37 1.03 0.25 0.00 -2.44 0.00 0.00 57.07 56.28 3m1d s TYR 74 Cb -0.03 -2.61 0.67 0.00 0.35 0.00 0.00 41.96 40.34 3m1d s TYR 74 CO 0.22 0.20 1.72 1.79 -1.34 0.00 0.00 175.55 178.14 3m1d h THR 75 N 4.59 0.00 0.00 4.34 1.35 -1.72 -3.47 112.91 117.99 3m1d h THR 75 Ca -0.42 -0.73 0.00 0.00 -0.55 0.00 0.00 66.41 64.71 3m1d h THR 75 Cb 1.19 1.71 0.00 0.00 -1.73 0.00 0.00 68.15 69.32 3m1d h THR 75 CO 0.74 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.62 3m1d n GLY 76 N 0.92 0.70 3.23 5.82 0.00 -1.26 -5.05 105.19 109.55 3m1d n GLY 76 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 3m1d n GLY 76 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3m1d s VAL 77 N -2.61 2.54 0.00 1.61 1.01 -1.26 -5.04 120.40 116.65 3m1d s VAL 77 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.17 3m1d s VAL 77 Cb 0.00 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.31 3m1d s VAL 77 CO 0.00 0.52 0.00 0.59 0.00 0.00 0.00 175.10 176.21 3m1d n ASN 78 N 4.17 0.00 -0.95 3.32 3.02 -1.26 -0.89 115.26 122.68 3m1d n ASN 78 Ca -0.19 0.00 -0.00 0.00 -0.03 0.00 0.00 54.58 54.35 3m1d n ASN 78 Cb 0.51 0.00 0.20 0.00 -0.61 0.00 0.00 39.78 39.89 3m1d n ASN 78 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3m1d n ASP 79 N 2.94 2.35 -4.70 6.41 5.75 -1.26 -4.52 116.55 123.51 3m1d n ASP 79 Ca 0.00 -3.74 -0.41 0.00 -0.01 0.00 0.00 54.79 50.63 3m1d n ASP 79 Cb 0.00 -0.59 -0.04 0.00 -1.03 0.00 0.00 41.12 39.46 3m1d n ASP 79 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 3m1d s LYS 80 N -3.20 4.47 0.26 0.11 2.20 -0.07 -4.50 119.74 119.01 3m1d s LYS 80 Ca 0.42 1.17 0.08 0.00 -0.36 0.00 0.00 55.97 57.28 3m1d s LYS 80 Cb 0.39 -3.48 -0.05 0.00 -1.51 0.00 0.00 37.83 33.18 3m1d s LYS 80 CO -0.01 -0.07 -0.10 0.14 -0.36 0.00 0.00 175.35 174.94 3m1d s VAL 81 N 1.18 1.79 -0.01 4.02 -7.23 0.51 -1.86 120.40 118.80 3m1d s VAL 81 Ca 0.45 -2.19 0.00 0.00 -1.81 0.00 0.00 61.98 58.43 3m1d s VAL 81 Cb -0.19 -2.30 0.01 0.00 0.56 0.00 0.00 36.38 34.45 3m1d s VAL 81 CO 0.21 -0.41 0.00 -0.75 -0.31 0.00 0.00 175.10 173.85 3m1d s LYS 82 N -3.67 0.05 0.09 4.82 2.20 -0.05 -1.30 119.74 121.88 3m1d s LYS 82 Ca 0.27 0.02 -0.31 0.00 -0.36 0.00 0.00 55.97 55.60 3m1d s LYS 82 Cb 0.01 -0.11 -0.06 0.00 -1.51 0.00 0.00 37.83 36.15 3m1d s LYS 82 CO 0.11 -0.03 1.23 0.00 -0.36 0.00 0.00 175.35 176.30 3m1d h PHE 84 N 6.58 0.00 0.00 0.00 -0.00 -1.52 -0.93 116.94 121.07 3m1d h PHE 84 Ca -0.42 0.00 -0.30 0.00 -0.00 0.00 0.00 57.97 57.25 3m1d h PHE 84 Cb 1.21 0.00 -0.04 0.00 -0.00 0.00 0.00 35.95 37.12 3m1d h PHE 84 CO 0.66 0.05 -1.65 0.00 -0.00 0.00 0.00 178.31 177.36 3m1d n GLY 87 N 1.06 0.58 3.68 0.00 0.00 -0.35 -4.97 105.19 105.19 3m1d n GLY 87 Ca 0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 3m1d n GLY 87 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3m1d n LEU 88 N 0.00 3.30 -4.32 0.99 7.94 -1.26 -4.54 117.00 119.11 3m1d n LEU 88 Ca 0.00 1.13 -0.33 0.00 -1.11 0.00 0.00 56.01 55.70 3m1d n LEU 88 Cb 0.03 -1.45 -0.15 0.00 0.53 0.00 0.00 43.42 42.37 3m1d n LEU 88 CO 0.00 -0.34 -0.49 -0.04 -1.11 0.00 0.00 177.39 175.41 3m1d s MET 89 N -0.10 3.22 -0.01 1.96 -1.94 -1.26 -1.05 119.30 120.11 3m1d s MET 89 Ca 0.70 -0.76 0.01 0.00 -1.71 0.00 0.00 55.69 53.93 3m1d s MET 89 Cb -0.63 -2.50 0.01 0.00 2.01 0.00 0.00 34.83 33.72 3m1d s MET 89 CO 0.47 0.22 -0.03 -0.51 -0.01 0.00 0.00 175.02 175.16 3m1d s LEU 90 N 0.30 1.71 0.00 -0.03 1.43 -0.42 -4.97 118.68 116.70 3m1d s LEU 90 Ca -0.13 -0.06 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 3m1d s LEU 90 Cb -0.16 -0.22 0.00 0.00 0.03 0.00 0.00 46.19 45.83 3m1d s LEU 90 CO 0.07 -0.00 0.00 -0.90 0.23 0.00 0.00 176.35 175.74 3m1d n ASP 91 N 3.40 0.00 -3.85 2.29 5.75 -1.26 -0.36 116.55 122.51 3m1d n ASP 91 Ca -0.18 -0.80 -0.26 0.00 -0.01 0.00 0.00 54.79 53.54 3m1d n ASP 91 Cb 0.56 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.65 3m1d n ASP 91 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3m1d n ASN 92 N -2.06 -1.64 -4.74 -1.12 5.15 -1.26 -4.89 115.26 104.69 3m1d n ASN 92 Ca 0.00 -0.98 -0.41 0.00 -0.60 0.00 0.00 54.58 52.58 3m1d n ASN 92 Cb 0.00 -3.27 -0.03 0.00 -0.53 0.00 0.00 39.78 35.95 3m1d n ASN 92 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 3m1d s TRP 93 N -3.80 3.10 0.16 1.20 0.52 -1.26 -5.03 118.94 113.82 3m1d s TRP 93 Ca 0.12 1.08 0.08 0.00 0.02 0.00 0.00 56.10 57.39 3m1d s TRP 93 Cb -0.04 -3.75 -0.04 0.00 -1.15 0.00 0.00 33.47 28.48 3m1d s TRP 93 CO 0.87 -2.44 -0.05 0.15 0.02 0.00 0.00 176.95 175.50 3m1d s LYS 94 N -0.24 2.24 0.06 4.98 -0.14 -1.26 -4.56 119.74 120.82 3m1d s LYS 94 Ca 0.59 -1.13 -0.36 0.00 -1.36 0.00 0.00 55.97 53.71 3m1d s LYS 94 Cb -0.40 -2.29 -0.16 0.00 -1.68 0.00 0.00 37.83 33.30 3m1d s LYS 94 CO 0.41 0.46 1.48 -0.11 -0.76 0.00 0.00 175.35 176.83 3m1d n LEU 95 N 0.12 2.22 0.00 3.17 7.94 -1.26 -1.26 117.00 127.93 3m1d n LEU 95 Ca -0.11 1.10 0.00 0.00 -1.11 0.00 0.00 56.01 55.89 3m1d n LEU 95 Cb 0.55 -1.26 0.00 0.00 0.53 0.00 0.00 43.42 43.23 3m1d n LEU 95 CO 0.36 -0.72 0.00 0.61 -1.11 0.00 0.00 177.39 176.54 3m1d n GLY 96 N 3.05 1.21 3.75 -3.96 0.00 -1.26 -5.03 105.19 102.95 3m1d n GLY 96 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 3m1d n GLY 96 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3m1d s ASP 97 N -3.03 6.55 -0.35 1.61 1.01 -0.39 -4.99 116.67 117.08 3m1d s ASP 97 Ca 0.00 2.79 -0.12 0.00 0.71 0.00 0.00 52.55 55.93 3m1d s ASP 97 Cb 0.00 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.30 3m1d s ASP 97 CO 0.00 -0.77 0.22 -0.55 0.21 0.00 0.00 175.17 174.28 3m1d s SER 98 N 0.29 5.83 0.31 0.27 0.15 -1.26 -4.97 113.70 114.32 3m1d s SER 98 Ca 0.59 -0.68 -0.00 0.00 0.70 0.00 0.00 55.95 56.56 3m1d s SER 98 Cb -0.44 -2.07 0.50 0.00 -1.71 0.00 0.00 66.02 62.30 3m1d s SER 98 CO 0.47 -0.30 1.96 -0.65 1.20 0.00 0.00 173.24 175.93 3m1d h PRO 99 N 8.46 0.96 -0.46 5.44 0.11 -1.94 -0.04 132.00 144.52 3m1d h PRO 99 Ca -0.29 -0.08 -0.10 0.00 0.11 0.00 0.00 66.00 65.64 3m1d h PRO 99 Cb 1.13 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 3m1d h PRO 99 CO 0.65 0.67 -0.11 0.82 -0.21 0.00 0.00 178.00 179.81 3m1d h ILE 100 N 0.98 1.27 -0.23 4.15 2.04 -1.89 -1.30 117.51 122.53 3m1d h ILE 100 Ca 0.26 -1.24 -0.04 0.00 1.00 0.00 0.00 64.86 64.84 3m1d h ILE 100 Cb -0.05 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 3m1d h ILE 100 CO -0.05 0.42 -0.01 1.56 0.00 0.00 0.00 178.15 180.07 3m1d h GLN 101 N 0.72 0.42 -0.77 2.37 4.20 -1.89 -0.45 115.11 119.72 3m1d h GLN 101 Ca 0.12 -0.14 0.04 0.00 0.06 0.00 0.00 58.65 58.72 3m1d h GLN 101 Cb 0.66 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.36 3m1d h GLN 101 CO 0.05 0.62 0.48 0.87 -0.67 0.00 0.00 178.83 180.17 3m1d h LYS 102 N 0.18 0.89 0.21 1.46 1.57 -0.98 -1.05 116.57 118.86 3m1d h LYS 102 Ca 0.06 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3m1d h LYS 102 Cb 0.44 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3m1d h LYS 102 CO 0.01 0.59 -0.10 1.25 -0.57 0.00 0.00 179.45 180.63 3m1d h HIS 103 N 0.92 -0.26 -0.88 -1.35 2.76 -1.04 -0.75 115.15 114.54 3m1d h HIS 103 Ca 0.32 -0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.54 3m1d h HIS 103 Cb 0.06 0.09 -0.06 0.00 1.55 0.00 0.00 27.41 29.04 3m1d h HIS 103 CO -0.04 -0.12 0.56 0.87 -1.30 0.00 0.00 177.93 177.90 3m1d h LYS 104 N -0.34 1.00 -0.21 5.26 1.57 -0.90 -1.67 116.57 121.28 3m1d h LYS 104 Ca -0.03 -0.06 -0.18 0.00 -1.87 0.00 0.00 60.65 58.51 3m1d h LYS 104 Cb 0.26 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.35 3m1d h LYS 104 CO 0.05 0.66 -0.59 1.96 -0.57 0.00 0.00 179.45 180.96 3m1d h GLN 105 N 1.03 0.77 0.16 3.15 4.20 -0.99 -3.16 115.11 120.27 3m1d h GLN 105 Ca 0.38 -0.55 -0.32 0.00 0.06 0.00 0.00 58.65 58.22 3m1d h GLN 105 Cb 0.13 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.00 3m1d h GLN 105 CO -0.16 1.17 -1.63 -0.07 -0.67 0.00 0.00 178.83 177.47 3m1d h LEU 106 N 0.50 0.51 -6.20 1.46 3.38 -1.06 -3.42 115.31 110.48 3m1d h LEU 106 Ca -0.01 -0.91 -0.58 0.00 0.09 0.00 0.00 57.88 56.47 3m1d h LEU 106 Cb 1.21 -0.17 -0.39 0.00 0.09 0.00 0.00 40.66 41.40 3m1d h LEU 106 CO 0.13 1.73 -0.97 0.00 0.09 0.00 0.00 178.44 179.41 3m1d n TYR 107 N -3.72 0.21 0.31 1.13 9.36 -0.63 -4.97 117.16 118.85 3m1d n TYR 107 Ca -0.25 -3.61 0.20 0.00 3.32 0.00 0.00 57.90 57.56 3m1d n TYR 107 Cb 1.00 -0.22 1.00 0.00 -0.63 0.00 0.00 39.34 40.50 3m1d n TYR 107 CO 0.00 0.00 0.00 -1.35 0.22 0.00 0.00 176.86 175.73 3m1d h PRO 108 N 4.59 0.00 -0.00 2.98 0.11 -1.70 -2.89 132.00 135.09 3m1d h PRO 108 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3m1d h PRO 108 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 3m1d h PRO 108 CO 0.50 0.01 -0.04 -1.13 -0.21 0.00 0.00 178.00 177.13 3m1d n SER 109 N -3.13 0.11 -4.65 -2.05 3.41 -1.26 -4.66 113.62 101.38 3m1d n SER 109 Ca -0.02 -0.12 -0.42 0.00 -0.26 0.00 0.00 58.87 58.05 3m1d n SER 109 Cb 0.16 -0.26 -0.03 0.00 -0.26 0.00 0.00 64.21 63.82 3m1d n SER 109 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3m1d h SER 111 N 11.43 0.91 0.56 0.00 0.02 -1.92 -1.83 113.55 122.73 3m1d h SER 111 Ca -0.48 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.43 3m1d h SER 111 Cb 1.24 -0.22 0.01 0.00 0.14 0.00 0.00 62.40 63.57 3m1d h SER 111 CO 0.94 0.64 -0.27 0.15 -1.14 0.00 0.00 176.83 177.15 3m1d h PHE 112 N 1.07 -0.70 -0.31 3.45 3.57 -1.96 -1.37 116.94 120.69 3m1d h PHE 112 Ca 0.32 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.85 3m1d h PHE 112 Cb -0.02 0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 3m1d h PHE 112 CO -0.00 -0.39 0.21 0.97 -2.23 0.00 0.00 178.31 176.87 3m1d h ILE 113 N -0.87 0.98 -0.43 1.41 6.09 -1.86 0.13 117.51 122.96 3m1d h ILE 113 Ca -0.08 -0.09 -0.10 0.00 -1.37 0.00 0.00 64.86 63.22 3m1d h ILE 113 Cb 0.62 0.70 -0.01 0.00 0.47 0.00 0.00 36.82 38.60 3m1d h ILE 113 CO 0.13 0.05 -0.12 1.56 -3.07 0.00 0.00 178.15 176.69 3m1d h GLN 114 N 0.26 0.84 0.00 2.19 4.20 -1.17 -2.74 115.11 118.70 3m1d h GLN 114 Ca 0.13 -0.33 -0.17 0.00 0.06 0.00 0.00 58.65 58.34 3m1d h GLN 114 Cb 0.21 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 3m1d h GLN 114 CO -0.03 0.96 -0.82 -0.91 -0.67 0.00 0.00 178.83 177.36 3m1d h ASN 115 N 0.66 0.00 -0.41 1.46 2.35 -0.17 -2.34 115.58 117.13 3m1d h ASN 115 Ca 0.11 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.81 3m1d h ASN 115 Cb 0.66 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.02 3m1d h ASN 115 CO 0.05 0.82 0.06 0.25 -1.65 0.00 0.00 177.43 176.96 3m1d h LEU 116 N 0.00 0.66 0.00 1.61 5.85 -0.76 -3.14 115.31 119.53 3m1d h LEU 116 Ca -0.01 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.45 3m1d h LEU 116 Cb 1.51 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.36 3m1d h LEU 116 CO 0.11 0.75 -0.29 0.58 -0.34 0.00 0.00 178.44 179.25 3m1d h VAL 117 N 0.54 0.00 -0.01 1.05 2.07 -1.50 -3.51 116.25 114.88 3m1d h VAL 117 Ca 0.12 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.91 3m1d h VAL 117 Cb 0.38 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 3m1d h VAL 117 CO 0.01 0.00 0.00 -1.20 0.02 0.00 0.00 177.57 176.40