#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 3.37 0.20 2.98 2.03 -1.26 -4.72 116.55 119.15 3m1d n ASP 42 Ca 0.00 -1.96 -0.16 0.00 0.52 0.00 0.00 54.79 53.18 3m1d n ASP 42 Cb 0.00 -0.32 -0.09 0.00 -0.72 0.00 0.00 41.12 39.99 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 3.39 -1.37 -0.05 -0.67 3.57 -2.05 -0.80 116.94 118.97 3m1d h PHE 43 Ca 0.00 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.39 3m1d h PHE 43 Cb 0.86 0.56 -0.01 0.00 2.79 0.00 0.00 35.95 40.15 3m1d h PHE 43 CO 0.32 -0.60 -0.58 0.66 -2.23 0.00 0.00 178.31 175.88 3m1d h SER 44 N -0.84 0.18 -0.28 0.41 4.64 -2.00 -3.16 113.55 112.49 3m1d h SER 44 Ca -0.04 -0.10 0.03 0.00 -0.47 0.00 0.00 61.79 61.21 3m1d h SER 44 Cb 0.77 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.78 3m1d h SER 44 CO -0.15 0.72 0.09 0.00 -0.87 0.00 0.00 176.83 176.62 3m1d h GLU 46 N 0.22 0.96 -0.91 0.00 4.81 -1.19 0.70 114.58 119.16 3m1d h GLU 46 Ca 0.12 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3m1d h GLU 46 Cb 0.09 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.25 3m1d h GLU 46 CO -0.13 0.73 0.52 -0.07 -0.73 0.00 0.00 179.01 179.34 3m1d h LEU 47 N 0.94 1.12 -0.17 1.64 4.07 -1.39 0.32 115.31 121.83 3m1d h LEU 47 Ca 0.24 -0.09 -0.00 0.00 0.08 0.00 0.00 57.88 58.11 3m1d h LEU 47 Cb 0.07 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.51 3m1d h LEU 47 CO -0.04 0.88 0.10 0.22 -1.08 0.00 0.00 178.44 178.53 3m1d h TYR 48 N 1.27 0.23 -0.69 1.13 3.20 -0.05 -0.66 116.97 121.40 3m1d h TYR 48 Ca 0.32 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.20 3m1d h TYR 48 Cb -0.01 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.15 3m1d h TYR 48 CO 0.01 0.20 0.45 0.00 -1.64 0.00 0.00 178.16 177.18 3m1d h ARG 49 N 0.20 0.90 -0.71 1.82 3.08 -0.37 -1.83 114.38 117.46 3m1d h ARG 49 Ca 0.06 -0.05 0.10 0.00 0.07 0.00 0.00 59.98 60.16 3m1d h ARG 49 Cb 0.04 -0.20 -0.07 0.00 0.08 0.00 0.00 29.97 29.81 3m1d h ARG 49 CO -0.01 0.59 0.35 0.52 -1.07 0.00 0.00 179.97 180.35 3m1d h MET 50 N 0.92 0.57 -0.04 0.04 2.86 -0.15 -1.96 114.93 117.17 3m1d h MET 50 Ca 0.26 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.87 3m1d h MET 50 Cb -0.09 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.44 3m1d h MET 50 CO -0.06 0.37 0.03 0.66 1.06 0.00 0.00 176.91 178.98 3m1d h SER 51 N 0.58 0.00 0.75 1.22 4.64 -0.25 -2.19 113.55 118.31 3m1d h SER 51 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 3m1d h SER 51 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3m1d h SER 51 CO -0.28 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.03 3m1d n THR 52 N -4.25 0.82 1.58 2.95 -2.24 -0.74 -2.79 114.28 109.62 3m1d n THR 52 Ca -0.02 0.22 0.09 0.00 -2.27 0.00 0.00 64.05 62.06 3m1d n THR 52 Cb 0.13 -1.15 0.39 0.00 -2.10 0.00 0.00 70.33 67.60 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 -2.24 0.13 -0.31 4.78 4.01 -0.82 -4.17 117.16 118.53 3m1d n TYR 53 Ca 0.02 -0.06 0.24 0.00 -0.16 0.00 0.00 57.90 57.94 3m1d n TYR 53 Cb 0.24 0.00 0.54 0.00 -0.31 0.00 0.00 39.34 39.81 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 1.09 0.38 -0.36 7.72 4.64 -1.72 -1.30 113.55 124.00 3m1d h SER 54 Ca 0.00 0.07 -0.16 0.00 -0.47 0.00 0.00 61.79 61.23 3m1d h SER 54 Cb 0.24 0.01 -0.09 0.00 -0.31 0.00 0.00 62.40 62.24 3m1d h SER 54 CO 0.00 0.08 -0.03 0.35 -0.87 0.00 0.00 176.83 176.36 3m1d n THR 55 N -4.56 2.52 -2.65 2.95 -2.24 -1.26 -4.99 114.28 104.06 3m1d n THR 55 Ca 0.25 -2.53 -0.42 0.00 -2.27 0.00 0.00 64.05 59.07 3m1d n THR 55 Cb 0.91 -0.31 -0.03 0.00 -2.10 0.00 0.00 70.33 68.80 3m1d n THR 55 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3m1d s PHE 56 N -3.16 3.45 0.23 4.78 5.36 -0.49 -4.99 117.98 123.16 3m1d s PHE 56 Ca 0.44 1.52 -0.30 0.00 -0.96 0.00 0.00 56.93 57.64 3m1d s PHE 56 Cb 0.40 -3.23 -0.15 0.00 -0.34 0.00 0.00 43.02 39.69 3m1d s PHE 56 CO 0.02 -0.43 0.96 -2.30 -1.46 0.00 0.00 175.22 172.01 3m1d n PRO 57 N 5.09 1.00 0.26 10.12 -0.02 -1.26 -4.87 135.00 145.31 3m1d n PRO 57 Ca 0.09 0.35 0.14 0.00 -2.02 0.00 0.00 63.50 62.06 3m1d n PRO 57 Cb 0.48 -1.69 0.63 0.00 -0.02 0.00 0.00 33.50 32.91 3m1d n PRO 57 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3m1d h ALA 58 N 2.21 1.06 0.00 3.55 0.00 -2.00 -3.15 119.26 120.92 3m1d h ALA 58 Ca -0.39 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3m1d h ALA 58 Cb 1.36 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3m1d h ALA 58 CO 0.63 0.15 0.00 0.41 0.00 0.00 0.00 179.25 180.43 3m1d n GLY 59 N -0.13 -1.19 3.66 0.00 0.00 -1.26 -4.81 105.19 101.47 3m1d n GLY 59 Ca -0.00 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.03 3.86 -1.95 1.61 1.01 -1.19 -4.89 120.40 115.81 3m1d s VAL 60 Ca 0.09 1.07 0.00 0.00 0.00 0.00 0.00 61.98 63.14 3m1d s VAL 60 Cb 0.12 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.81 3m1d s VAL 60 CO 0.36 -0.08 0.72 -2.65 0.00 0.00 0.00 175.10 173.44 3m1d n PRO 61 N 6.70 0.73 -5.05 2.72 -0.02 -1.26 -4.75 135.00 134.08 3m1d n PRO 61 Ca 0.15 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.35 3m1d n PRO 61 Cb 0.44 -1.02 -0.15 0.00 -0.02 0.00 0.00 33.50 32.74 3m1d n PRO 61 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3m1d s VAL 62 N -1.95 1.83 -0.13 -1.45 -7.23 -1.26 -4.56 120.40 105.65 3m1d s VAL 62 Ca 0.00 -1.06 -0.29 0.00 -1.81 0.00 0.00 61.98 58.82 3m1d s VAL 62 Cb 0.00 -1.53 -0.03 0.00 0.56 0.00 0.00 36.38 35.38 3m1d s VAL 62 CO 0.00 0.45 1.38 -0.55 -0.31 0.00 0.00 175.10 176.07 3m1d s SER 63 N -0.70 6.87 0.35 4.85 0.15 -1.26 -4.90 113.70 119.05 3m1d s SER 63 Ca 0.09 1.86 0.14 0.00 0.70 0.00 0.00 55.95 58.74 3m1d s SER 63 Cb -0.09 -2.54 1.06 0.00 -1.71 0.00 0.00 66.02 62.74 3m1d s SER 63 CO -0.00 -0.80 1.69 -0.33 1.20 0.00 0.00 173.24 174.99 3m1d h GLU 64 N 8.56 0.37 -0.51 5.44 3.07 -1.99 0.06 114.58 129.57 3m1d h GLU 64 Ca -0.30 -0.02 -0.11 0.00 -0.50 0.00 0.00 59.36 58.43 3m1d h GLU 64 Cb 1.13 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.94 3m1d h GLU 64 CO 0.96 0.25 -0.10 -0.09 -1.40 0.00 0.00 179.01 178.62 3m1d h ARG 65 N 0.38 0.95 -0.37 2.33 2.43 -1.97 -1.32 114.38 116.81 3m1d h ARG 65 Ca 0.71 -0.34 -0.15 0.00 -0.81 0.00 0.00 59.98 59.39 3m1d h ARG 65 Cb 1.60 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 31.07 3m1d h ARG 65 CO -0.54 1.00 -0.37 0.66 -1.51 0.00 0.00 179.97 179.21 3m1d h SER 66 N 0.85 0.93 -0.23 -3.80 4.64 -1.40 -0.43 113.55 114.09 3m1d h SER 66 Ca 0.14 -0.41 0.03 0.00 -0.47 0.00 0.00 61.79 61.07 3m1d h SER 66 Cb 0.64 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 62.45 3m1d h SER 66 CO 0.04 1.19 0.07 -0.07 -0.87 0.00 0.00 176.83 177.19 3m1d h LEU 67 N 0.72 0.06 -0.60 5.97 3.38 -1.10 0.42 115.31 124.16 3m1d h LEU 67 Ca 0.06 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 3m1d h LEU 67 Cb 0.94 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 3m1d h LEU 67 CO 0.09 0.06 0.11 0.00 0.09 0.00 0.00 178.44 178.79 3m1d h ALA 68 N 1.16 0.79 -0.39 1.53 0.00 -1.11 0.46 119.26 121.70 3m1d h ALA 68 Ca 0.10 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3m1d h ALA 68 Cb 0.08 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3m1d h ALA 68 CO -0.12 0.53 0.16 -0.09 0.00 0.00 0.00 179.25 179.74 3m1d h ARG 69 N 0.88 0.54 0.00 0.00 2.43 -0.88 -1.50 114.38 115.85 3m1d h ARG 69 Ca 0.18 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 3m1d h ARG 69 Cb 0.41 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 3m1d h ARG 69 CO 0.01 0.44 0.00 0.00 -1.51 0.00 0.00 179.97 178.91 3m1d n ALA 70 N -2.47 2.40 0.00 2.80 0.00 0.12 -4.86 120.51 118.50 3m1d n ALA 70 Ca 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3m1d n ALA 70 Cb 0.13 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.16 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 0.76 0.63 3.76 0.00 0.00 -0.57 -4.86 105.19 104.93 3m1d n GLY 71 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.00 3.54 0.19 1.61 0.08 0.10 -1.21 117.98 120.29 3m1d s PHE 72 Ca 0.00 0.71 0.08 0.00 0.12 0.00 0.00 56.93 57.84 3m1d s PHE 72 Cb 0.00 -2.32 -0.04 0.00 -0.57 0.00 0.00 43.02 40.09 3m1d s PHE 72 CO 0.00 0.36 -0.02 1.52 -0.10 0.00 0.00 175.22 176.99 3m1d s TYR 73 N 0.02 2.78 0.09 0.36 -0.85 -0.05 -3.27 117.35 116.43 3m1d s TYR 73 Ca 0.19 -0.17 -0.30 0.00 -0.52 0.00 0.00 57.07 56.27 3m1d s TYR 73 Cb -0.14 -1.33 -0.05 0.00 0.38 0.00 0.00 41.96 40.82 3m1d s TYR 73 CO 0.07 0.53 0.99 -0.47 -1.52 0.00 0.00 175.55 175.15 3m1d s TYR 74 N -1.83 3.74 -0.56 -3.49 5.04 -1.26 -0.81 117.35 118.18 3m1d s TYR 74 Ca 0.28 1.74 0.24 0.00 -2.44 0.00 0.00 57.07 56.89 3m1d s TYR 74 Cb -0.09 -3.11 0.48 0.00 0.35 0.00 0.00 41.96 39.60 3m1d s TYR 74 CO 0.18 0.02 1.57 1.79 -1.34 0.00 0.00 175.55 177.78 3m1d h THR 75 N 4.22 0.00 0.00 4.34 1.35 -1.62 -3.47 112.91 117.73 3m1d h THR 75 Ca -0.42 -0.73 0.00 0.00 -0.55 0.00 0.00 66.41 64.70 3m1d h THR 75 Cb 1.21 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 69.26 3m1d h THR 75 CO 0.73 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.61 3m1d n GLY 76 N 1.22 0.74 2.95 5.82 0.00 -1.26 -5.06 105.19 109.60 3m1d n GLY 76 Ca 0.04 -0.20 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.00 1.00 0.00 1.61 1.01 -1.26 -5.07 120.40 115.69 3m1d s VAL 77 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.64 3m1d s VAL 77 Cb 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.41 3m1d s VAL 77 CO 0.00 0.34 0.00 0.59 0.00 0.00 0.00 175.10 176.03 3m1d n ASN 78 N 4.37 0.00 -1.40 3.32 3.02 -1.26 -0.61 115.26 122.69 3m1d n ASN 78 Ca -0.18 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.27 3m1d n ASN 78 Cb 0.51 0.00 0.17 0.00 -0.61 0.00 0.00 39.78 39.85 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 2.20 3.19 -4.68 6.41 5.75 -1.26 -4.64 116.55 123.53 3m1d n ASP 79 Ca 0.00 -3.79 -0.42 0.00 -0.01 0.00 0.00 54.79 50.57 3m1d n ASP 79 Cb 0.00 -0.63 -0.03 0.00 -1.03 0.00 0.00 41.12 39.43 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 -3.35 4.35 0.38 0.11 2.20 0.22 -4.46 119.74 119.19 3m1d s LYS 80 Ca 0.47 1.26 0.08 0.00 -0.36 0.00 0.00 55.97 57.42 3m1d s LYS 80 Cb 0.42 -3.57 -0.07 0.00 -1.51 0.00 0.00 37.83 33.09 3m1d s LYS 80 CO 0.00 -0.38 -0.03 0.14 -0.36 0.00 0.00 175.35 174.72 3m1d s VAL 81 N 2.30 2.07 -0.10 4.02 -7.23 0.10 -1.53 120.40 120.03 3m1d s VAL 81 Ca 0.44 -2.07 -0.09 0.00 -1.81 0.00 0.00 61.98 58.45 3m1d s VAL 81 Cb -0.17 -2.87 0.03 0.00 0.56 0.00 0.00 36.38 33.93 3m1d s VAL 81 CO 0.14 -0.07 0.27 -0.75 -0.31 0.00 0.00 175.10 174.37 3m1d s LYS 82 N -3.68 0.31 0.00 4.82 2.20 0.01 -1.23 119.74 122.17 3m1d s LYS 82 Ca 0.34 0.38 -0.30 0.00 -0.36 0.00 0.00 55.97 56.03 3m1d s LYS 82 Cb 0.07 0.14 -0.04 0.00 -1.51 0.00 0.00 37.83 36.49 3m1d s LYS 82 CO 0.17 -0.04 1.05 0.00 -0.36 0.00 0.00 175.35 176.17 3m1d h PHE 84 N 6.85 0.00 0.01 0.00 -5.15 -1.52 -1.03 116.94 116.11 3m1d h PHE 84 Ca -0.40 0.00 -0.27 0.00 -0.20 0.00 0.00 57.97 57.10 3m1d h PHE 84 Cb 1.21 0.00 -0.04 0.00 0.22 0.00 0.00 35.95 37.34 3m1d h PHE 84 CO 0.68 0.03 -1.47 0.00 -2.00 0.00 0.00 178.31 175.55 3m1d n GLY 87 N 0.85 0.44 3.71 0.00 0.00 -0.39 -4.98 105.19 104.81 3m1d n GLY 87 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 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 3.86 -4.48 0.99 7.94 -1.26 -4.60 117.00 119.45 3m1d n LEU 88 Ca 0.00 1.06 -0.33 0.00 -1.11 0.00 0.00 56.01 55.63 3m1d n LEU 88 Cb 0.07 -1.55 -0.13 0.00 0.53 0.00 0.00 43.42 42.34 3m1d n LEU 88 CO 0.00 0.11 -0.39 -0.04 -1.11 0.00 0.00 177.39 175.96 3m1d s MET 89 N 1.16 3.31 -0.00 1.96 -1.94 -1.26 -1.02 119.30 121.51 3m1d s MET 89 Ca 0.76 -0.59 0.02 0.00 -1.71 0.00 0.00 55.69 54.18 3m1d s MET 89 Cb -0.53 -2.73 -0.01 0.00 2.01 0.00 0.00 34.83 33.58 3m1d s MET 89 CO 0.33 0.35 -0.07 -0.51 -0.01 0.00 0.00 175.02 175.11 3m1d s LEU 90 N 0.03 2.04 0.00 -0.03 1.43 -0.36 -4.98 118.68 116.80 3m1d s LEU 90 Ca -0.02 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 3m1d s LEU 90 Cb -0.14 -0.36 0.00 0.00 0.03 0.00 0.00 46.19 45.72 3m1d s LEU 90 CO 0.03 0.06 0.00 -0.90 0.23 0.00 0.00 176.35 175.78 3m1d n ASP 91 N 2.76 0.00 -3.68 2.29 5.75 -1.26 0.01 116.55 122.41 3m1d n ASP 91 Ca -0.14 -0.81 -0.27 0.00 -0.01 0.00 0.00 54.79 53.56 3m1d n ASP 91 Cb 0.57 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.68 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 -1.79 -5.40 -4.80 -1.12 5.15 -1.26 -4.92 115.26 101.12 3m1d n ASN 92 Ca 0.00 -0.91 -0.35 0.00 -0.60 0.00 0.00 54.58 52.72 3m1d n ASN 92 Cb 0.00 -2.93 -0.05 0.00 -0.53 0.00 0.00 39.78 36.27 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 -3.27 3.29 0.06 1.20 0.52 -1.26 -5.06 118.94 114.42 3m1d s TRP 93 Ca 0.28 1.64 0.04 0.00 0.02 0.00 0.00 56.10 58.08 3m1d s TRP 93 Cb -0.11 -2.97 -0.03 0.00 -1.15 0.00 0.00 33.47 29.20 3m1d s TRP 93 CO 0.87 -0.34 -0.12 0.15 0.02 0.00 0.00 176.95 177.54 3m1d s LYS 94 N -2.84 0.72 0.14 4.98 -0.14 -1.26 -4.70 119.74 116.64 3m1d s LYS 94 Ca 0.60 -0.90 -0.35 0.00 -1.36 0.00 0.00 55.97 53.97 3m1d s LYS 94 Cb -0.15 -0.63 -0.15 0.00 -1.68 0.00 0.00 37.83 35.22 3m1d s LYS 94 CO 0.20 0.13 1.49 -0.11 -0.76 0.00 0.00 175.35 176.30 3m1d n LEU 95 N 1.30 2.63 0.00 3.17 7.94 -1.26 -1.03 117.00 129.74 3m1d n LEU 95 Ca -0.21 1.10 0.00 0.00 -1.11 0.00 0.00 56.01 55.78 3m1d n LEU 95 Cb 0.54 -1.35 0.00 0.00 0.53 0.00 0.00 43.42 43.14 3m1d n LEU 95 CO 0.21 -0.54 0.00 0.61 -1.11 0.00 0.00 177.39 176.56 3m1d n GLY 96 N 3.07 3.27 3.53 -3.96 0.00 -1.26 -5.03 105.19 104.81 3m1d n GLY 96 Ca 0.17 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.73 3m1d n GLY 96 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3m1d n ASP 97 N 0.05 0.59 -4.15 1.61 8.00 -0.20 -4.97 116.55 117.48 3m1d n ASP 97 Ca 0.00 1.16 -0.34 0.00 0.71 0.00 0.00 54.79 56.32 3m1d n ASP 97 Cb 0.00 -1.18 -0.14 0.00 -0.02 0.00 0.00 41.12 39.78 3m1d n ASP 97 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3m1d s SER 98 N -0.58 4.75 0.29 -2.24 0.15 -1.26 -5.00 113.70 109.82 3m1d s SER 98 Ca 0.63 -1.26 -0.00 0.00 0.70 0.00 0.00 55.95 56.01 3m1d s SER 98 Cb -0.80 -1.67 0.49 0.00 -1.71 0.00 0.00 66.02 62.32 3m1d s SER 98 CO 0.58 -0.23 1.91 -0.65 1.20 0.00 0.00 173.24 176.04 3m1d h PRO 99 N 7.95 1.05 -0.36 5.44 0.11 -1.93 0.17 132.00 144.44 3m1d h PRO 99 Ca -0.22 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.76 3m1d h PRO 99 Cb 1.06 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.92 3m1d h PRO 99 CO 0.52 0.69 -0.07 0.82 -0.21 0.00 0.00 178.00 179.76 3m1d h ILE 100 N 1.08 1.27 -0.08 4.15 2.04 -1.90 -1.19 117.51 122.88 3m1d h ILE 100 Ca 0.39 -1.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.12 3m1d h ILE 100 Cb 0.15 1.27 -0.00 0.00 -0.74 0.00 0.00 36.82 37.50 3m1d h ILE 100 CO -0.14 0.37 0.01 -0.61 0.00 0.00 0.00 178.15 177.78 3m1d h GLN 101 N 0.47 0.14 -0.76 2.37 4.15 -1.78 -0.29 115.11 119.41 3m1d h GLN 101 Ca 0.09 -0.04 0.05 0.00 0.77 0.00 0.00 58.65 59.53 3m1d h GLN 101 Cb 0.56 -0.02 -0.06 0.00 0.21 0.00 0.00 27.48 28.18 3m1d h GLN 101 CO 0.03 0.36 0.45 0.87 -1.93 0.00 0.00 178.83 178.61 3m1d h LYS 102 N -0.10 0.82 -0.72 1.69 1.57 -1.00 -0.93 116.57 117.89 3m1d h LYS 102 Ca 0.02 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 3m1d h LYS 102 Cb 0.29 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 3m1d h LYS 102 CO 0.00 0.54 0.37 1.25 -0.57 0.00 0.00 179.45 181.04 3m1d h HIS 103 N 0.84 1.02 -0.18 -1.35 2.76 -1.01 -2.30 115.15 114.93 3m1d h HIS 103 Ca 0.33 -0.04 -0.11 0.00 -2.20 0.00 0.00 60.37 58.35 3m1d h HIS 103 Cb 0.15 -0.32 -0.01 0.00 1.55 0.00 0.00 27.41 28.78 3m1d h HIS 103 CO -0.05 0.74 -0.37 -0.22 -1.30 0.00 0.00 177.93 176.73 3m1d h LYS 104 N 1.00 0.39 0.15 5.26 3.64 -0.21 -2.12 116.57 124.68 3m1d h LYS 104 Ca 0.25 -0.18 -0.30 0.00 -1.27 0.00 0.00 60.65 59.16 3m1d h LYS 104 Cb 0.08 -0.01 0.02 0.00 -0.41 0.00 0.00 32.23 31.92 3m1d h LYS 104 CO -0.04 0.70 -1.29 1.96 -2.27 0.00 0.00 179.45 178.52 3m1d h GLN 105 N 0.33 0.45 0.14 1.90 4.20 -0.99 -3.31 115.11 117.84 3m1d h GLN 105 Ca 0.03 -0.69 -0.35 0.00 0.06 0.00 0.00 58.65 57.70 3m1d h GLN 105 Cb 0.80 0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.82 3m1d h GLN 105 CO 0.06 1.32 -1.87 -0.07 -0.67 0.00 0.00 178.83 177.60 3m1d h LEU 106 N 0.16 0.47 -5.99 1.46 3.38 -1.37 -3.42 115.31 110.00 3m1d h LEU 106 Ca -0.18 -0.88 -0.56 0.00 0.09 0.00 0.00 57.88 56.35 3m1d h LEU 106 Cb 1.98 -0.15 -0.39 0.00 0.09 0.00 0.00 40.66 42.19 3m1d h LEU 106 CO 0.23 1.77 -1.11 0.00 0.09 0.00 0.00 178.44 179.43 3m1d n TYR 107 N -3.50 -0.39 0.35 1.13 9.36 -0.80 -4.97 117.16 118.34 3m1d n TYR 107 Ca -0.28 -3.55 0.10 0.00 3.32 0.00 0.00 57.90 57.49 3m1d n TYR 107 Cb 1.06 -0.34 0.44 0.00 -0.63 0.00 0.00 39.34 39.88 3m1d n TYR 107 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3m1d n PRO 108 N 1.40 0.14 0.00 2.98 -0.04 -1.24 -2.77 135.00 135.46 3m1d n PRO 108 Ca 0.21 0.43 0.10 0.00 -0.04 0.00 0.00 63.50 64.20 3m1d n PRO 108 Cb 0.53 -1.79 0.57 0.00 -0.04 0.00 0.00 33.50 32.77 3m1d n PRO 108 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3m1d n SER 109 N -2.06 0.00 -4.63 3.54 3.41 -1.26 -4.75 113.62 107.86 3m1d n SER 109 Ca 0.02 -1.15 -0.43 0.00 -0.26 0.00 0.00 58.87 57.05 3m1d n SER 109 Cb 0.17 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.10 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 9.76 0.57 0.20 0.00 0.02 -1.93 -1.32 113.55 120.85 3m1d h SER 111 Ca -0.29 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.66 3m1d h SER 111 Cb 1.12 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.56 3m1d h SER 111 CO 1.02 0.34 -0.10 0.15 -1.14 0.00 0.00 176.83 177.10 3m1d h PHE 112 N 0.64 -0.25 0.00 3.45 3.57 -1.96 -2.40 116.94 119.99 3m1d h PHE 112 Ca 0.33 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.79 3m1d h PHE 112 Cb 0.45 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.27 3m1d h PHE 112 CO -0.00 0.08 -0.16 0.97 -2.23 0.00 0.00 178.31 176.97 3m1d h ILE 113 N -0.61 0.86 0.19 1.41 6.09 -1.82 -2.16 117.51 121.47 3m1d h ILE 113 Ca -0.03 -0.61 -0.01 0.00 -1.37 0.00 0.00 64.86 62.85 3m1d h ILE 113 Cb 0.44 1.35 0.00 0.00 0.47 0.00 0.00 36.82 39.09 3m1d h ILE 113 CO 0.05 0.16 -0.09 1.56 -3.07 0.00 0.00 178.15 176.75 3m1d h GLN 114 N 0.00 -0.25 0.00 2.19 4.20 -1.19 -1.19 115.11 118.88 3m1d h GLN 114 Ca -0.00 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3m1d h GLN 114 Cb 0.34 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.18 3m1d h GLN 114 CO 0.02 0.05 0.00 0.09 -0.67 0.00 0.00 178.83 178.33 3m1d n ASN 115 N -5.07 0.07 -0.05 1.46 4.13 -0.91 -2.54 115.26 112.34 3m1d n ASN 115 Ca -0.09 0.52 -0.22 0.00 1.68 0.00 0.00 54.58 56.47 3m1d n ASN 115 Cb 0.22 -0.54 -0.13 0.00 -1.54 0.00 0.00 39.78 37.80 3m1d n ASN 115 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 3m1d n LEU 116 N -1.58 2.26 -0.82 3.41 7.94 -0.84 -5.10 117.00 122.27 3m1d n LEU 116 Ca 0.02 0.30 0.13 0.00 -1.11 0.00 0.00 56.01 55.35 3m1d n LEU 116 Cb 0.12 -1.03 0.23 0.00 0.53 0.00 0.00 43.42 43.27 3m1d n LEU 116 CO 0.10 0.58 0.70 0.55 -1.11 0.00 0.00 177.39 178.21