#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dv4 s ILE 2 N 0.00 4.13 -0.15 5.18 1.01 -1.26 -5.03 121.20 125.08 3dv4 s ILE 2 Ca 0.00 1.71 0.02 0.00 0.00 0.00 0.00 60.65 62.38 3dv4 s ILE 2 Cb 0.00 -4.09 0.01 0.00 0.01 0.00 0.00 42.46 38.38 3dv4 s ILE 2 CO 0.00 0.23 -0.19 -0.69 0.00 0.00 0.00 174.94 174.29 3dv4 s VAL 3 N 0.25 2.26 -0.29 2.92 1.01 -1.26 -5.00 120.40 120.30 3dv4 s VAL 3 Ca 0.51 -0.90 -0.06 0.00 0.00 0.00 0.00 61.98 61.53 3dv4 s VAL 3 Cb -0.27 -1.93 0.01 0.00 0.00 0.00 0.00 36.38 34.19 3dv4 s VAL 3 CO 0.32 0.54 0.06 -0.76 0.00 0.00 0.00 175.10 175.26 3dv4 s LEU 4 N 0.90 3.73 -0.24 3.92 1.02 -1.26 -1.03 118.68 125.72 3dv4 s LEU 4 Ca -0.04 -0.69 -0.14 0.00 0.02 0.00 0.00 54.13 53.27 3dv4 s LEU 4 Cb -0.15 -1.86 -0.04 0.00 0.02 0.00 0.00 46.19 44.16 3dv4 s LEU 4 CO -0.03 -0.17 0.30 0.42 0.02 0.00 0.00 176.35 176.89 3dv4 s THR 5 N 1.48 5.25 -0.12 5.49 -4.23 0.62 -3.58 115.64 120.55 3dv4 s THR 5 Ca 0.03 0.46 -0.04 0.00 -1.18 0.00 0.00 61.69 60.96 3dv4 s THR 5 Cb -0.17 -3.64 -0.04 0.00 1.34 0.00 0.00 72.50 70.00 3dv4 s THR 5 CO 0.02 0.24 0.05 -1.10 -0.54 0.00 0.00 174.62 173.29 3dv4 s GLN 6 N 1.54 3.33 -0.02 3.99 -0.21 -1.26 -0.69 119.66 126.35 3dv4 s GLN 6 Ca 0.13 -0.33 0.01 0.00 0.02 0.00 0.00 55.36 55.20 3dv4 s GLN 6 Cb -0.15 -2.99 0.01 0.00 1.00 0.00 0.00 33.01 30.89 3dv4 s GLN 6 CO 0.08 0.62 -0.03 0.45 -2.12 0.00 0.00 175.29 174.28 3dv4 s SER 7 N -0.61 0.59 0.73 5.90 0.15 -0.21 -4.22 113.70 116.03 3dv4 s SER 7 Ca 0.11 -0.08 -0.04 0.00 0.70 0.00 0.00 55.95 56.64 3dv4 s SER 7 Cb -0.12 -0.19 0.11 0.00 -1.71 0.00 0.00 66.02 64.11 3dv4 s SER 7 CO 0.02 -0.01 1.02 -2.16 1.20 0.00 0.00 173.24 173.32 3dv4 s PRO 8 N 0.41 1.75 0.22 5.44 0.04 -1.26 -0.05 135.00 141.55 3dv4 s PRO 8 Ca -0.04 -0.75 -0.08 0.00 0.04 0.00 0.00 61.00 60.17 3dv4 s PRO 8 Cb -0.08 -2.24 0.27 0.00 0.04 0.00 0.00 34.50 32.50 3dv4 s PRO 8 CO -0.00 -1.45 1.81 0.77 0.04 0.00 0.00 177.00 178.16 3dv4 h SER 9 N -0.64 0.59 -5.04 6.66 0.02 -1.84 -3.42 113.55 109.87 3dv4 h SER 9 Ca -0.40 0.03 -0.10 0.00 -0.84 0.00 0.00 61.79 60.48 3dv4 h SER 9 Cb 1.28 -0.08 -0.17 0.00 0.14 0.00 0.00 62.40 63.56 3dv4 h SER 9 CO 0.46 0.37 -0.26 -0.55 -1.14 0.00 0.00 176.83 175.71 3dv4 s SER 10 N -5.61 -0.13 0.05 3.07 0.15 -1.26 -1.61 113.70 108.37 3dv4 s SER 10 Ca -0.13 -0.15 -0.17 0.00 0.70 0.00 0.00 55.95 56.20 3dv4 s SER 10 Cb 0.17 0.34 0.03 0.00 -1.71 0.00 0.00 66.02 64.85 3dv4 s SER 10 CO 0.76 -0.58 0.39 -1.48 1.20 0.00 0.00 173.24 173.53 3dv4 s LEU 11 N -1.93 0.51 -0.01 3.45 2.34 -0.63 -4.94 118.68 117.48 3dv4 s LEU 11 Ca -0.07 -0.08 0.03 0.00 0.06 0.00 0.00 54.13 54.07 3dv4 s LEU 11 Cb -0.02 1.66 -0.01 0.00 -0.56 0.00 0.00 46.19 47.27 3dv4 s LEU 11 CO -0.02 -0.67 -0.09 0.00 -1.06 0.00 0.00 176.35 174.50 3dv4 s ALA 12 N -2.64 0.81 0.23 1.48 0.00 -1.26 -0.89 121.76 119.49 3dv4 s ALA 12 Ca -0.04 -0.39 -0.05 0.00 0.00 0.00 0.00 51.96 51.47 3dv4 s ALA 12 Cb -0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.86 3dv4 s ALA 12 CO -0.04 0.18 0.29 0.14 0.00 0.00 0.00 175.76 176.34 3dv4 s VAL 13 N -0.13 0.00 0.37 0.00 -7.23 -0.83 -4.97 120.40 107.60 3dv4 s VAL 13 Ca 0.02 -1.75 -0.04 0.00 -1.81 0.00 0.00 61.98 58.40 3dv4 s VAL 13 Cb -0.05 -2.39 -0.04 0.00 0.56 0.00 0.00 36.38 34.45 3dv4 s VAL 13 CO -0.00 0.00 0.64 -0.44 -0.31 0.00 0.00 175.10 174.99 3dv4 s SER 14 N -3.12 6.37 0.24 4.85 0.01 -1.26 -1.50 113.70 119.29 3dv4 s SER 14 Ca 0.32 0.75 -0.31 0.00 1.31 0.00 0.00 55.95 58.02 3dv4 s SER 14 Cb 0.03 -2.16 -0.11 0.00 0.21 0.00 0.00 66.02 64.00 3dv4 s SER 14 CO 0.12 -0.34 1.56 0.00 0.41 0.00 0.00 173.24 174.99 3dv4 s ALA 15 N -2.35 3.75 0.00 1.44 0.00 -1.26 -3.00 121.76 120.34 3dv4 s ALA 15 Ca 0.45 1.46 0.00 0.00 0.00 0.00 0.00 51.96 53.86 3dv4 s ALA 15 Cb -0.10 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.40 3dv4 s ALA 15 CO 0.36 -0.86 0.00 0.41 0.00 0.00 0.00 175.76 175.67 3dv4 n GLY 16 N 2.80 2.11 3.99 0.00 0.00 0.12 -4.93 105.19 109.28 3dv4 n GLY 16 Ca 0.10 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.93 3dv4 n GLY 16 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3dv4 s GLU 17 N -0.74 2.75 -0.12 1.61 -1.05 -1.16 -4.24 118.70 115.75 3dv4 s GLU 17 Ca 0.00 -0.99 -0.09 0.00 -0.15 0.00 0.00 54.97 53.74 3dv4 s GLU 17 Cb 0.00 -2.64 -0.04 0.00 -0.44 0.00 0.00 34.13 31.00 3dv4 s GLU 17 CO 0.00 -0.42 0.19 0.50 0.95 0.00 0.00 175.26 176.48 3dv4 s ARG 18 N -4.52 3.68 0.04 -4.83 3.52 -1.26 -1.27 118.95 114.31 3dv4 s ARG 18 Ca 0.55 -0.04 0.03 0.00 -0.13 0.00 0.00 55.73 56.14 3dv4 s ARG 18 Cb -0.10 -3.24 -0.02 0.00 -1.56 0.00 0.00 34.95 30.02 3dv4 s ARG 18 CO 0.35 0.66 -0.10 0.14 -0.81 0.00 0.00 175.30 175.54 3dv4 s VAL 19 N -0.73 0.76 0.10 7.11 -7.23 -0.80 -4.98 120.40 114.64 3dv4 s VAL 19 Ca 0.15 -0.99 0.07 0.00 -1.81 0.00 0.00 61.98 59.41 3dv4 s VAL 19 Cb -0.13 -0.75 -0.03 0.00 0.56 0.00 0.00 36.38 36.03 3dv4 s VAL 19 CO 0.05 -0.20 -0.17 0.42 -0.31 0.00 0.00 175.10 174.89 3dv4 s THR 20 N -1.07 1.46 0.01 5.32 -4.23 -1.26 -0.88 115.64 115.00 3dv4 s THR 20 Ca -0.04 -1.53 -0.03 0.00 -1.18 0.00 0.00 61.69 58.91 3dv4 s THR 20 Cb -0.08 -1.42 -0.01 0.00 1.34 0.00 0.00 72.50 72.33 3dv4 s THR 20 CO 0.01 -0.20 0.04 0.00 -0.54 0.00 0.00 174.62 173.93 3dv4 s MET 21 N -2.05 0.39 -0.02 3.99 0.23 -0.49 -4.86 119.30 116.49 3dv4 s MET 21 Ca 0.05 -0.54 -0.00 0.00 -1.03 0.00 0.00 55.69 54.16 3dv4 s MET 21 Cb -0.09 0.15 -0.04 0.00 -1.53 0.00 0.00 34.83 33.33 3dv4 s MET 21 CO 0.04 -0.08 0.03 0.45 -2.03 0.00 0.00 175.02 173.43 3dv4 s SER 22 N -1.48 5.36 -0.26 -1.18 0.15 0.93 -1.34 113.70 115.88 3dv4 s SER 22 Ca -0.15 0.09 -0.01 0.00 0.70 0.00 0.00 55.95 56.58 3dv4 s SER 22 Cb -0.09 -1.48 0.08 0.00 -1.71 0.00 0.00 66.02 62.83 3dv4 s SER 22 CO -0.00 0.30 0.06 0.00 1.20 0.00 0.00 173.24 174.80 3dv4 s LYS 24 N 1.70 3.87 -0.08 0.00 1.02 0.13 -1.37 119.74 125.02 3dv4 s LYS 24 Ca 0.04 -0.40 -0.05 0.00 0.02 0.00 0.00 55.97 55.59 3dv4 s LYS 24 Cb -0.17 -3.16 -0.04 0.00 -0.52 0.00 0.00 37.83 33.94 3dv4 s LYS 24 CO -0.18 0.22 0.13 0.45 -0.92 0.00 0.00 175.35 175.05 3dv4 s SER 25 N 0.49 6.17 0.21 2.83 0.15 0.47 -0.27 113.70 123.74 3dv4 s SER 25 Ca 0.02 0.37 0.23 0.00 0.70 0.00 0.00 55.95 57.26 3dv4 s SER 25 Cb -0.13 -1.93 0.91 0.00 -1.71 0.00 0.00 66.02 63.16 3dv4 s SER 25 CO 0.01 0.36 1.70 -1.54 1.20 0.00 0.00 173.24 174.97 3dv4 n SER 26 N 1.67 0.58 -4.00 5.45 3.41 -0.20 -4.74 113.62 115.80 3dv4 n SER 26 Ca -0.17 0.62 -0.11 0.00 -0.26 0.00 0.00 58.87 58.95 3dv4 n SER 26 Cb 0.54 -0.75 -0.12 0.00 -0.26 0.00 0.00 64.21 63.62 3dv4 n SER 26 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3dv4 s GLN 27 N -3.23 0.37 0.26 4.33 0.74 -1.26 -4.97 119.66 115.90 3dv4 s GLN 27 Ca 0.06 -0.57 -0.31 0.00 0.05 0.00 0.00 55.36 54.59 3dv4 s GLN 27 Cb 0.10 -0.09 -0.12 0.00 1.10 0.00 0.00 33.01 34.00 3dv4 s GLN 27 CO 0.42 0.01 1.58 0.45 -0.55 0.00 0.00 175.29 177.19 3dv4 n SER 27 N 1.81 3.62 -0.94 6.67 2.88 -1.26 -4.68 113.62 121.72 3dv4 n SER 27 Ca -0.21 1.13 0.08 0.00 -1.33 0.00 0.00 58.87 58.53 3dv4 n SER 27 Cb 0.56 -1.55 0.23 0.00 -0.75 0.00 0.00 64.21 62.70 3dv4 n SER 27 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3dv4 n LEU 27 N 2.59 3.56 -4.71 2.46 4.77 -0.19 -4.97 117.00 120.52 3dv4 n LEU 27 Ca 0.11 -2.28 -0.38 0.00 -0.03 0.00 0.00 56.01 53.43 3dv4 n LEU 27 Cb 0.35 -0.38 -0.06 0.00 -2.33 0.00 0.00 43.42 40.99 3dv4 n LEU 27 CO 0.64 0.76 0.18 0.12 -1.33 0.00 0.00 177.39 177.76 3dv4 s PHE 27 N -1.52 3.48 -0.29 -1.77 5.36 -1.26 -0.62 117.98 121.36 3dv4 s PHE 27 Ca 0.35 0.86 -0.09 0.00 -0.96 0.00 0.00 56.93 57.08 3dv4 s PHE 27 Cb 0.22 -2.57 -0.02 0.00 -0.34 0.00 0.00 43.02 40.31 3dv4 s PHE 27 CO 0.18 0.11 0.14 0.15 -1.46 0.00 0.00 175.22 174.34 3dv4 s LYS 27 N 0.83 3.46 0.60 10.12 1.02 -0.12 -4.97 119.74 130.68 3dv4 s LYS 27 Ca 0.25 -0.63 0.32 0.00 0.02 0.00 0.00 55.97 55.94 3dv4 s LYS 27 Cb -0.15 -3.52 1.92 0.00 -0.52 0.00 0.00 37.83 35.56 3dv4 s LYS 27 CO 0.10 -0.34 2.27 0.66 -0.92 0.00 0.00 175.35 177.11 3dv4 h SER 27 N 8.33 0.00 0.00 2.83 4.64 -1.95 0.26 113.55 127.66 3dv4 h SER 27 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 3dv4 h SER 27 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3dv4 h SER 27 CO 0.60 0.00 0.00 -1.14 -0.87 0.00 0.00 176.83 175.42 3dv4 n ARG 27 N -3.71 0.00 0.00 4.77 0.63 -1.26 -3.50 116.66 113.59 3dv4 n ARG 27 Ca -0.03 0.13 0.15 0.00 -0.92 0.00 0.00 57.85 57.18 3dv4 n ARG 27 Cb 0.10 -0.88 0.72 0.00 0.45 0.00 0.00 32.46 32.84 3dv4 n ARG 27 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 3dv4 n ASN 28 N -0.52 0.59 -3.01 6.15 0.23 -1.24 -4.92 115.26 112.53 3dv4 n ASN 28 Ca 0.00 -1.01 -0.18 0.00 -0.53 0.00 0.00 54.58 52.85 3dv4 n ASN 28 Cb 0.00 -0.03 0.07 0.00 -2.08 0.00 0.00 39.78 37.74 3dv4 n ASN 28 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3dv4 n GLN 29 N -0.64 -6.28 -4.37 -3.83 1.13 0.06 -5.02 117.38 98.44 3dv4 n GLN 29 Ca 0.20 0.68 -0.30 0.00 -1.94 0.00 0.00 57.00 55.63 3dv4 n GLN 29 Cb 0.23 -5.26 -0.11 0.00 0.11 0.00 0.00 30.24 25.22 3dv4 n GLN 29 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3dv4 s LYS 30 N -5.87 2.10 -0.39 -1.09 3.01 -1.09 -4.93 119.74 111.49 3dv4 s LYS 30 Ca 0.38 -1.01 -0.15 0.00 -1.01 0.00 0.00 55.97 54.18 3dv4 s LYS 30 Cb -0.17 -2.27 0.01 0.00 -1.01 0.00 0.00 37.83 34.40 3dv4 s LYS 30 CO 0.59 0.52 0.34 -0.80 0.51 0.00 0.00 175.35 176.51 3dv4 s ASN 31 N -1.92 6.14 -1.37 2.83 0.01 -1.26 -0.95 114.94 118.41 3dv4 s ASN 31 Ca 0.19 -0.65 -0.13 0.00 -0.71 0.00 0.00 52.86 51.56 3dv4 s ASN 31 Cb -0.11 -2.18 -0.04 0.00 0.41 0.00 0.00 41.25 39.33 3dv4 s ASN 31 CO 0.10 -0.43 2.44 -1.22 -1.51 0.00 0.00 177.10 176.49 3dv4 n TYR 32 N 5.31 2.66 -4.34 2.20 4.01 0.21 -3.32 117.16 123.89 3dv4 n TYR 32 Ca -0.10 -2.75 -0.18 0.00 -0.16 0.00 0.00 57.90 54.70 3dv4 n TYR 32 Cb 0.48 -2.32 -0.14 0.00 -0.31 0.00 0.00 39.34 37.05 3dv4 n TYR 32 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 3dv4 s LEU 33 N 1.08 2.08 0.04 7.72 2.96 -1.26 -1.05 118.68 130.27 3dv4 s LEU 33 Ca 0.56 -0.28 0.02 0.00 -0.22 0.00 0.00 54.13 54.20 3dv4 s LEU 33 Cb 0.15 -0.47 -0.03 0.00 0.50 0.00 0.00 46.19 46.34 3dv4 s LEU 33 CO -0.05 0.06 -0.07 0.00 -1.32 0.00 0.00 176.35 174.97 3dv4 s ALA 34 N -0.51 0.56 -0.07 5.97 0.00 -0.29 -1.29 121.76 126.13 3dv4 s ALA 34 Ca 0.02 -0.81 -0.00 0.00 0.00 0.00 0.00 51.96 51.17 3dv4 s ALA 34 Cb -0.05 0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 3dv4 s ALA 34 CO 0.00 -0.06 -0.04 -1.58 0.00 0.00 0.00 175.76 174.08 3dv4 s TRP 35 N -1.63 3.03 -0.05 0.00 0.52 0.33 -0.33 118.94 120.81 3dv4 s TRP 35 Ca -0.08 0.09 0.03 0.00 0.02 0.00 0.00 56.10 56.16 3dv4 s TRP 35 Cb -0.08 -1.74 0.00 0.00 -1.15 0.00 0.00 33.47 30.50 3dv4 s TRP 35 CO -0.00 0.39 -0.14 0.71 0.02 0.00 0.00 176.95 177.93 3dv4 s TYR 36 N -0.86 1.50 -0.20 -1.98 2.02 0.16 -1.14 117.35 116.85 3dv4 s TYR 36 Ca 0.13 -0.47 -0.09 0.00 -0.37 0.00 0.00 57.07 56.28 3dv4 s TYR 36 Cb -0.11 -1.05 -0.05 0.00 -0.40 0.00 0.00 41.96 40.36 3dv4 s TYR 36 CO 0.02 -0.19 0.10 -1.14 -1.57 0.00 0.00 175.55 172.77 3dv4 s GLN 37 N 0.27 4.07 -0.34 -0.62 0.74 0.76 -0.62 119.66 123.92 3dv4 s GLN 37 Ca -0.07 -0.29 0.01 0.00 0.05 0.00 0.00 55.36 55.06 3dv4 s GLN 37 Cb -0.12 -3.34 0.10 0.00 1.10 0.00 0.00 33.01 30.75 3dv4 s GLN 37 CO 0.02 0.25 0.10 -1.14 -0.55 0.00 0.00 175.29 173.97 3dv4 s GLN 38 N 0.49 1.01 0.70 1.67 0.74 -0.15 -0.19 119.66 123.93 3dv4 s GLN 38 Ca 0.06 -1.43 -0.15 0.00 0.05 0.00 0.00 55.36 53.88 3dv4 s GLN 38 Cb -0.12 -2.40 0.02 0.00 1.10 0.00 0.00 33.01 31.62 3dv4 s GLN 38 CO -0.00 -0.99 1.20 0.15 -0.55 0.00 0.00 175.29 175.09 3dv4 s LYS 39 N 1.25 2.33 0.07 1.67 1.02 -1.26 -1.25 119.74 123.57 3dv4 s LYS 39 Ca 0.11 1.73 -0.34 0.00 0.02 0.00 0.00 55.97 57.49 3dv4 s LYS 39 Cb -0.19 -1.86 -0.13 0.00 -0.52 0.00 0.00 37.83 35.13 3dv4 s LYS 39 CO -0.17 -1.68 1.69 -2.30 -0.92 0.00 0.00 175.35 171.97 3dv4 n PRO 40 N -2.53 2.17 -1.80 -1.68 -0.02 -1.26 -1.84 135.00 128.03 3dv4 n PRO 40 Ca 0.13 0.79 -0.14 0.00 -2.02 0.00 0.00 63.50 62.26 3dv4 n PRO 40 Cb 0.50 -2.58 -0.04 0.00 -0.02 0.00 0.00 33.50 31.36 3dv4 n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dv4 n GLY 41 N 3.78 0.69 3.23 -1.23 0.00 -1.26 -5.00 105.19 105.40 3dv4 n GLY 41 Ca 0.19 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 3dv4 n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dv4 s GLN 42 N -3.87 1.03 0.42 1.61 -0.21 -0.77 -5.14 119.66 112.73 3dv4 s GLN 42 Ca 0.00 -1.45 -0.23 0.00 0.02 0.00 0.00 55.36 53.70 3dv4 s GLN 42 Cb 0.00 -0.47 -0.08 0.00 1.00 0.00 0.00 33.01 33.45 3dv4 s GLN 42 CO 0.00 0.01 1.08 -1.54 -2.12 0.00 0.00 175.29 172.72 3dv4 s SER 43 N -3.15 6.56 0.53 5.90 1.04 -1.26 -4.56 113.70 118.75 3dv4 s SER 43 Ca 0.17 2.09 -0.23 0.00 0.48 0.00 0.00 55.95 58.47 3dv4 s SER 43 Cb 0.04 -2.59 -0.06 0.00 0.10 0.00 0.00 66.02 63.52 3dv4 s SER 43 CO 0.00 -0.63 1.38 -2.65 0.98 0.00 0.00 173.24 172.32 3dv4 n PRO 44 N -0.28 1.82 -4.88 4.02 -0.02 -1.26 -4.68 135.00 129.72 3dv4 n PRO 44 Ca 0.06 0.66 -0.26 0.00 -2.02 0.00 0.00 63.50 61.94 3dv4 n PRO 44 Cb 0.50 -2.59 -0.16 0.00 -0.02 0.00 0.00 33.50 31.23 3dv4 n PRO 44 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3dv4 s LYS 45 N -2.79 1.72 -0.10 -0.52 2.20 0.73 -4.95 119.74 116.03 3dv4 s LYS 45 Ca 0.69 -0.64 -0.30 0.00 -0.36 0.00 0.00 55.97 55.37 3dv4 s LYS 45 Cb -0.42 -1.55 -0.03 0.00 -1.51 0.00 0.00 37.83 34.32 3dv4 s LYS 45 CO 0.51 0.30 1.35 -1.17 -0.36 0.00 0.00 175.35 175.98 3dv4 s LEU 46 N -0.14 4.24 -0.27 5.43 2.96 -1.26 -0.17 118.68 129.47 3dv4 s LEU 46 Ca 0.00 1.87 -0.15 0.00 -0.22 0.00 0.00 54.13 55.63 3dv4 s LEU 46 Cb -0.10 -3.54 -0.12 0.00 0.50 0.00 0.00 46.19 42.92 3dv4 s LEU 46 CO 0.01 -0.76 -0.30 0.18 -1.32 0.00 0.00 176.35 174.16 3dv4 n LEU 47 N 6.31 1.95 -3.89 -0.68 4.77 -0.29 -4.78 117.00 120.38 3dv4 n LEU 47 Ca 0.14 0.35 -0.13 0.00 -0.03 0.00 0.00 56.01 56.34 3dv4 n LEU 47 Cb 0.44 -0.83 -0.14 0.00 -2.33 0.00 0.00 43.42 40.56 3dv4 n LEU 47 CO 0.57 0.49 -0.37 -0.63 -1.33 0.00 0.00 177.39 176.13 3dv4 s ILE 48 N -2.52 0.09 0.26 -0.08 1.01 -1.12 -1.20 121.20 117.64 3dv4 s ILE 48 Ca -0.37 -0.10 0.05 0.00 0.00 0.00 0.00 60.65 60.23 3dv4 s ILE 48 Cb 0.13 -0.09 -0.06 0.00 0.01 0.00 0.00 42.46 42.46 3dv4 s ILE 48 CO 0.49 -0.01 -0.03 -0.72 0.00 0.00 0.00 174.94 174.67 3dv4 s TYR 49 N -0.12 1.77 -1.45 3.97 -0.85 0.17 -0.51 117.35 120.32 3dv4 s TYR 49 Ca -0.01 -0.81 -0.10 0.00 -0.52 0.00 0.00 57.07 55.64 3dv4 s TYR 49 Cb -0.01 -1.02 0.06 0.00 0.38 0.00 0.00 41.96 41.37 3dv4 s TYR 49 CO -0.00 0.12 0.73 0.91 -1.52 0.00 0.00 175.55 175.79 3dv4 n TRP 50 N -0.51 -2.08 0.00 -3.49 8.01 -0.92 -0.98 117.44 117.47 3dv4 n TRP 50 Ca -0.05 0.67 0.00 0.00 -1.31 0.00 0.00 57.50 56.80 3dv4 n TRP 50 Cb 0.64 -3.81 0.00 0.00 -2.01 0.00 0.00 31.31 26.13 3dv4 n TRP 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3dv4 n ALA 51 N -4.02 0.00 -0.18 6.99 0.00 -0.41 -4.05 120.51 118.85 3dv4 n ALA 51 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3dv4 n ALA 51 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 3dv4 n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3dv4 n SER 52 N 1.76 0.57 -4.63 0.00 3.41 -1.22 -3.35 113.62 110.16 3dv4 n SER 52 Ca 0.00 -0.84 -0.41 0.00 -0.26 0.00 0.00 58.87 57.36 3dv4 n SER 52 Cb 0.00 0.20 -0.05 0.00 -0.26 0.00 0.00 64.21 64.09 3dv4 n SER 52 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3dv4 s THR 53 N -0.20 4.91 0.02 6.66 2.01 -0.16 -4.65 115.64 124.24 3dv4 s THR 53 Ca 0.00 1.28 -0.28 0.00 0.31 0.00 0.00 61.69 63.01 3dv4 s THR 53 Cb 0.00 -4.02 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 3dv4 s THR 53 CO 0.00 -0.04 0.88 -0.60 -0.69 0.00 0.00 174.62 174.16 3dv4 s ARG 54 N 2.68 4.55 0.64 4.92 3.52 -1.26 -0.66 118.95 133.34 3dv4 s ARG 54 Ca 0.30 1.25 -0.15 0.00 -0.13 0.00 0.00 55.73 57.00 3dv4 s ARG 54 Cb -0.15 -3.42 -0.01 0.00 -1.56 0.00 0.00 34.95 29.80 3dv4 s ARG 54 CO 0.09 0.09 1.08 -2.00 -0.81 0.00 0.00 175.30 173.74 3dv4 s GLU 55 N 0.58 2.99 0.22 5.12 2.56 -0.34 -4.94 118.70 124.89 3dv4 s GLU 55 Ca 0.46 1.27 -0.32 0.00 0.00 0.00 0.00 54.97 56.38 3dv4 s GLU 55 Cb -0.21 -1.98 -0.13 0.00 2.00 0.00 0.00 34.13 33.81 3dv4 s GLU 55 CO 0.25 -1.08 1.54 0.43 -0.56 0.00 0.00 175.26 175.84 3dv4 n SER 56 N -2.36 3.24 0.00 -1.70 7.64 -1.26 -1.94 113.62 117.24 3dv4 n SER 56 Ca 0.09 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.09 3dv4 n SER 56 Cb 0.52 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.24 3dv4 n SER 56 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dv4 n GLY 57 N 2.75 2.35 3.69 0.23 0.00 -1.26 -5.02 105.19 107.93 3dv4 n GLY 57 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3dv4 n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dv4 s VAL 58 N -2.27 4.35 0.55 1.61 1.01 -0.82 -4.99 120.40 119.84 3dv4 s VAL 58 Ca 0.00 1.66 -0.20 0.00 0.00 0.00 0.00 61.98 63.44 3dv4 s VAL 58 Cb 0.00 -4.07 -0.07 0.00 0.00 0.00 0.00 36.38 32.25 3dv4 s VAL 58 CO 0.00 0.01 0.99 -2.65 0.00 0.00 0.00 175.10 173.44 3dv4 n PRO 59 N 5.08 1.08 0.12 2.72 -0.02 -1.26 -4.88 135.00 137.84 3dv4 n PRO 59 Ca 0.10 0.40 0.11 0.00 -2.02 0.00 0.00 63.50 62.10 3dv4 n PRO 59 Cb 0.47 -2.15 0.48 0.00 -0.02 0.00 0.00 33.50 32.28 3dv4 n PRO 59 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3dv4 n ASP 60 N -0.36 0.61 0.13 2.55 8.00 -1.26 -2.47 116.55 123.75 3dv4 n ASP 60 Ca 0.12 0.66 0.12 0.00 0.71 0.00 0.00 54.79 56.40 3dv4 n ASP 60 Cb 0.45 -0.79 0.50 0.00 -0.02 0.00 0.00 41.12 41.26 3dv4 n ASP 60 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 3dv4 n ARG 61 N -2.18 0.19 -3.25 -1.24 1.85 -1.26 -4.49 116.66 106.27 3dv4 n ARG 61 Ca 0.02 0.44 -0.39 0.00 -1.00 0.00 0.00 57.85 56.91 3dv4 n ARG 61 Cb 0.21 -1.88 -0.07 0.00 -1.05 0.00 0.00 32.46 29.67 3dv4 n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3dv4 s PHE 62 N -3.33 3.33 -0.06 2.89 0.08 -1.03 -0.51 117.98 119.35 3dv4 s PHE 62 Ca 0.04 0.71 -0.00 0.00 0.12 0.00 0.00 56.93 57.79 3dv4 s PHE 62 Cb 0.09 -2.68 0.03 0.00 -0.57 0.00 0.00 43.02 39.89 3dv4 s PHE 62 CO 0.38 -0.16 -0.01 0.99 -0.10 0.00 0.00 175.22 176.32 3dv4 s THR 63 N 1.86 0.38 -0.02 0.64 2.01 0.12 -4.98 115.64 115.64 3dv4 s THR 63 Ca 0.22 0.06 -0.03 0.00 0.31 0.00 0.00 61.69 62.26 3dv4 s THR 63 Cb -0.15 -0.50 -0.04 0.00 0.01 0.00 0.00 72.50 71.82 3dv4 s THR 63 CO 0.09 0.23 0.15 -0.83 -0.69 0.00 0.00 174.62 173.57 3dv4 s GLY 64 N 1.56 2.13 0.26 4.40 0.00 -1.26 -0.47 107.32 113.93 3dv4 s GLY 64 Ca -0.01 -0.78 -0.13 0.00 0.00 0.00 0.00 44.72 43.80 3dv4 s GLY 64 CO -0.03 -0.64 0.50 -1.35 0.00 0.00 0.00 173.10 171.58 3dv4 s SER 65 N -1.75 -0.06 0.00 1.64 1.04 -0.34 -4.22 113.70 110.01 3dv4 s SER 65 Ca 0.24 -0.93 0.00 0.00 0.48 0.00 0.00 55.95 55.74 3dv4 s SER 65 Cb -0.12 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.60 3dv4 s SER 65 CO 0.15 -1.17 0.00 0.61 0.98 0.00 0.00 173.24 173.81 3dv4 n GLY 66 N -0.40 0.84 3.78 7.32 0.00 -1.26 -0.67 105.19 114.80 3dv4 n GLY 66 Ca -0.02 -2.14 -0.04 0.00 0.00 0.00 0.00 46.02 43.83 3dv4 n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dv4 s SER 67 N 0.00 -0.15 0.47 1.61 1.04 -0.49 -4.89 113.70 111.30 3dv4 s SER 67 Ca 0.00 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 55.96 3dv4 s SER 67 Cb 0.00 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.62 3dv4 s SER 67 CO 0.00 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 173.89 3dv4 n GLY 68 N -0.50 1.00 0.00 7.32 0.00 -1.26 -2.24 105.19 109.50 3dv4 n GLY 68 Ca -0.06 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.33 3dv4 n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3dv4 n THR 69 N 0.00 0.00 -3.93 2.61 -2.24 -1.26 -1.02 114.28 108.44 3dv4 n THR 69 Ca 0.00 -0.42 -0.35 0.00 -2.27 0.00 0.00 64.05 61.02 3dv4 n THR 69 Cb 0.00 0.95 -0.14 0.00 -2.10 0.00 0.00 70.33 69.04 3dv4 n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3dv4 s ASP 70 N -1.00 4.25 0.09 3.42 1.01 -0.95 -0.39 116.67 123.10 3dv4 s ASP 70 Ca 0.00 -0.54 0.05 0.00 0.71 0.00 0.00 52.55 52.77 3dv4 s ASP 70 Cb 0.00 -1.71 -0.03 0.00 1.01 0.00 0.00 42.92 42.19 3dv4 s ASP 70 CO 0.00 -0.05 -0.14 -0.36 0.21 0.00 0.00 175.17 174.83 3dv4 s PHE 71 N 1.43 1.26 -0.00 4.23 0.08 -0.47 -1.40 117.98 123.11 3dv4 s PHE 71 Ca 0.04 -0.51 0.01 0.00 0.12 0.00 0.00 56.93 56.60 3dv4 s PHE 71 Cb -0.15 -0.69 -0.00 0.00 -0.57 0.00 0.00 43.02 41.61 3dv4 s PHE 71 CO -0.04 0.08 -0.04 0.99 -0.10 0.00 0.00 175.22 176.10 3dv4 s THR 72 N -1.63 0.35 -0.20 0.64 2.01 0.15 -0.80 115.64 116.16 3dv4 s THR 72 Ca 0.02 -0.18 -0.03 0.00 0.31 0.00 0.00 61.69 61.80 3dv4 s THR 72 Cb -0.08 -0.31 -0.01 0.00 0.01 0.00 0.00 72.50 72.11 3dv4 s THR 72 CO 0.02 0.10 -0.05 -0.22 -0.69 0.00 0.00 174.62 173.78 3dv4 s LEU 73 N -0.06 2.93 -0.15 4.42 2.96 -0.45 -1.20 118.68 127.12 3dv4 s LEU 73 Ca 0.01 -0.34 -0.00 0.00 -0.22 0.00 0.00 54.13 53.58 3dv4 s LEU 73 Cb -0.02 -1.73 -0.01 0.00 0.50 0.00 0.00 46.19 44.93 3dv4 s LEU 73 CO -0.00 0.04 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.04 3dv4 s THR 74 N 1.12 2.83 -0.40 3.68 2.01 0.38 -1.39 115.64 123.86 3dv4 s THR 74 Ca 0.01 -0.72 -0.08 0.00 0.31 0.00 0.00 61.69 61.22 3dv4 s THR 74 Cb -0.15 -2.20 0.08 0.00 0.01 0.00 0.00 72.50 70.24 3dv4 s THR 74 CO -0.01 0.51 0.22 -0.63 -0.69 0.00 0.00 174.62 174.03 3dv4 s ILE 75 N 0.72 4.00 -0.62 1.82 1.01 -0.06 -0.70 121.20 127.37 3dv4 s ILE 75 Ca -0.06 -1.45 -0.22 0.00 0.00 0.00 0.00 60.65 58.92 3dv4 s ILE 75 Cb -0.15 -3.46 0.07 0.00 0.01 0.00 0.00 42.46 38.93 3dv4 s ILE 75 CO 0.02 -0.47 0.88 0.20 0.00 0.00 0.00 174.94 175.56 3dv4 s ASN 76 N 1.96 6.20 0.00 3.58 0.01 0.33 -1.90 114.94 125.13 3dv4 s ASN 76 Ca 0.03 -0.98 0.00 0.00 -0.71 0.00 0.00 52.86 51.19 3dv4 s ASN 76 Cb -0.22 -2.38 0.00 0.00 0.41 0.00 0.00 41.25 39.05 3dv4 s ASN 76 CO 0.01 -1.29 0.00 0.61 -1.51 0.00 0.00 177.10 174.92 3dv4 n GLY 77 N 5.27 -0.18 3.73 0.66 0.00 -1.21 -4.73 105.19 108.74 3dv4 n GLY 77 Ca -0.04 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 3dv4 n GLY 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dv4 s VAL 78 N -2.41 2.24 0.19 1.61 1.01 -0.40 -4.62 120.40 118.03 3dv4 s VAL 78 Ca 0.00 0.18 0.04 0.00 0.00 0.00 0.00 61.98 62.21 3dv4 s VAL 78 Cb 0.00 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 3dv4 s VAL 78 CO 0.00 0.02 0.26 -1.10 0.00 0.00 0.00 175.10 174.28 3dv4 s GLN 79 N 0.44 3.24 0.40 2.72 -1.52 -1.26 0.15 119.66 123.83 3dv4 s GLN 79 Ca 0.68 -0.77 0.12 0.00 -1.95 0.00 0.00 55.36 53.45 3dv4 s GLN 79 Cb -0.47 -2.81 0.94 0.00 -0.22 0.00 0.00 33.01 30.45 3dv4 s GLN 79 CO 0.38 0.47 1.92 0.00 -0.25 0.00 0.00 175.29 177.82 3dv4 h ALA 80 N 1.86 1.96 0.00 6.09 0.00 -1.98 0.98 119.26 128.17 3dv4 h ALA 80 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3dv4 h ALA 80 Cb 1.21 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3dv4 h ALA 80 CO 0.64 -0.15 0.06 0.93 0.00 0.00 0.00 179.25 180.73 3dv4 h GLU 81 N 0.53 0.00 0.00 0.00 3.07 -2.02 -2.47 114.58 113.70 3dv4 h GLU 81 Ca 0.36 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.22 3dv4 h GLU 81 Cb 0.67 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.58 3dv4 h GLU 81 CO -0.13 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.23 3dv4 n ASP 82 N -2.99 0.00 -4.59 1.42 8.00 0.34 -4.77 116.55 113.95 3dv4 n ASP 82 Ca -0.03 -0.18 -0.44 0.00 0.71 0.00 0.00 54.79 54.85 3dv4 n ASP 82 Cb 0.12 -0.27 -0.04 0.00 -0.02 0.00 0.00 41.12 40.92 3dv4 n ASP 82 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3dv4 n LEU 83 N -1.27 3.25 -3.72 0.64 0.00 -0.93 -4.84 117.00 110.13 3dv4 n LEU 83 Ca 0.14 0.35 0.02 0.00 0.00 0.00 0.00 56.01 56.53 3dv4 n LEU 83 Cb 0.22 -1.51 0.00 0.00 0.00 0.00 0.00 43.42 42.14 3dv4 n LEU 83 CO 0.22 -0.55 1.10 0.00 0.00 0.00 0.00 177.39 178.16 3dv4 s ALA 84 N 7.51 -2.36 -0.21 1.96 0.00 -1.19 -4.35 121.76 123.12 3dv4 s ALA 84 Ca 1.00 0.53 -0.11 0.00 0.00 0.00 0.00 51.96 53.39 3dv4 s ALA 84 Cb -0.43 0.51 -0.05 0.00 0.00 0.00 0.00 23.12 23.15 3dv4 s ALA 84 CO 0.39 -1.09 0.15 0.08 0.00 0.00 0.00 175.76 175.29 3dv4 s VAL 85 N -2.23 5.39 -0.24 0.00 1.01 -0.38 -0.89 120.40 123.06 3dv4 s VAL 85 Ca 0.19 0.23 -0.06 0.00 0.00 0.00 0.00 61.98 62.33 3dv4 s VAL 85 Cb 0.04 -3.49 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 3dv4 s VAL 85 CO -0.03 0.41 0.04 -0.31 0.00 0.00 0.00 175.10 175.21 3dv4 s TYR 86 N 0.55 3.05 -0.12 5.22 2.02 0.14 -0.97 117.35 127.25 3dv4 s TYR 86 Ca 0.09 -0.58 -0.02 0.00 -0.37 0.00 0.00 57.07 56.18 3dv4 s TYR 86 Cb -0.12 -2.20 -0.03 0.00 -0.40 0.00 0.00 41.96 39.21 3dv4 s TYR 86 CO 0.00 -0.42 -0.03 0.71 -1.57 0.00 0.00 175.55 174.24 3dv4 s TYR 87 N 1.57 3.05 0.06 2.71 2.02 0.21 -1.15 117.35 125.83 3dv4 s TYR 87 Ca 0.06 -0.07 -0.06 0.00 -0.37 0.00 0.00 57.07 56.62 3dv4 s TYR 87 Cb -0.15 -1.86 -0.05 0.00 -0.40 0.00 0.00 41.96 39.50 3dv4 s TYR 87 CO 0.02 0.20 0.32 0.00 -1.57 0.00 0.00 175.55 174.51 3dv4 s LYS 89 N -2.08 0.06 0.03 0.00 2.20 0.55 0.04 119.74 120.53 3dv4 s LYS 89 Ca 0.33 0.43 -0.26 0.00 -0.36 0.00 0.00 55.97 56.11 3dv4 s LYS 89 Cb -0.13 -0.23 -0.05 0.00 -1.51 0.00 0.00 37.83 35.91 3dv4 s LYS 89 CO 0.20 -0.22 0.80 1.14 -0.36 0.00 0.00 175.35 176.90 3dv4 s GLN 90 N 1.60 4.51 -0.14 4.03 1.03 -0.23 -1.13 119.66 129.33 3dv4 s GLN 90 Ca -0.04 1.11 0.17 0.00 0.04 0.00 0.00 55.36 56.64 3dv4 s GLN 90 Cb -0.12 -3.39 0.30 0.00 0.03 0.00 0.00 33.01 29.84 3dv4 s GLN 90 CO -0.06 0.21 1.16 -1.13 -2.54 0.00 0.00 175.29 172.93 3dv4 n SER 91 N 3.07 2.20 -0.07 12.60 3.41 -0.21 -1.67 113.62 132.95 3dv4 n SER 91 Ca -0.01 -3.19 -0.13 0.00 -0.26 0.00 0.00 58.87 55.28 3dv4 n SER 91 Cb 0.50 -0.44 -0.06 0.00 -0.26 0.00 0.00 64.21 63.96 3dv4 n SER 91 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 3dv4 h TYR 92 N 0.16 0.55 -3.21 7.33 3.20 -1.90 -3.40 116.97 119.69 3dv4 h TYR 92 Ca -0.00 -0.15 -0.53 0.00 3.14 0.00 0.00 58.73 61.18 3dv4 h TYR 92 Cb 1.01 -0.12 -0.40 0.00 1.54 0.00 0.00 36.73 38.76 3dv4 h TYR 92 CO 0.12 0.79 -0.76 1.21 -1.64 0.00 0.00 178.16 177.88 3dv4 s ASN 93 N -6.21 3.23 1.38 -2.11 2.47 -1.26 -5.05 114.94 107.38 3dv4 s ASN 93 Ca -0.14 -1.05 0.00 0.00 0.42 0.00 0.00 52.86 52.10 3dv4 s ASN 93 Cb 0.07 -0.65 0.00 0.00 -1.45 0.00 0.00 41.25 39.22 3dv4 s ASN 93 CO 0.77 -0.34 0.00 0.18 -3.72 0.00 0.00 177.10 173.99 3dv4 n LEU 94 N 5.01 0.00 -3.81 3.21 4.77 -1.26 -4.73 117.00 120.20 3dv4 n LEU 94 Ca -0.07 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.78 3dv4 n LEU 94 Cb 0.45 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.43 3dv4 n LEU 94 CO 0.12 0.00 -0.12 -0.13 -1.33 0.00 0.00 177.39 175.92 3dv4 s ARG 95 N 0.00 0.31 -0.10 3.23 3.00 -1.26 -4.21 118.95 119.92 3dv4 s ARG 95 Ca 0.00 0.17 -0.05 0.00 0.00 0.00 0.00 55.73 55.85 3dv4 s ARG 95 Cb 0.00 0.14 0.04 0.00 0.00 0.00 0.00 34.95 35.14 3dv4 s ARG 95 CO 0.00 -0.05 0.22 0.99 0.00 0.00 0.00 175.30 176.46 3dv4 s THR 96 N -0.19 -0.04 0.18 0.02 2.01 -0.67 -4.99 115.64 111.96 3dv4 s THR 96 Ca -0.03 0.14 -0.09 0.00 0.31 0.00 0.00 61.69 62.03 3dv4 s THR 96 Cb -0.03 -0.35 -0.07 0.00 0.01 0.00 0.00 72.50 72.07 3dv4 s THR 96 CO 0.01 0.06 0.48 -0.36 -0.69 0.00 0.00 174.62 174.12 3dv4 s PHE 97 N 1.17 3.47 0.92 4.92 0.08 -1.26 -1.07 117.98 126.20 3dv4 s PHE 97 Ca -0.09 0.79 -0.15 0.00 0.12 0.00 0.00 56.93 57.61 3dv4 s PHE 97 Cb -0.10 -2.18 0.16 0.00 -0.57 0.00 0.00 43.02 40.33 3dv4 s PHE 97 CO -0.07 0.36 1.26 0.20 -0.10 0.00 0.00 175.22 176.87 3dv4 s GLY 98 N -2.25 1.70 0.51 4.36 0.00 0.11 -4.70 107.32 107.05 3dv4 s GLY 98 Ca 0.43 -0.99 0.24 0.00 0.00 0.00 0.00 44.72 44.40 3dv4 s GLY 98 CO 0.22 -0.31 2.07 -1.33 0.00 0.00 0.00 173.10 173.74 3dv4 h GLY 99 N -1.47 0.00 0.00 0.20 0.00 -1.88 -3.45 103.07 96.47 3dv4 h GLY 99 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3dv4 h GLY 99 CO 0.48 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.63 3dv4 n GLY 100 N -0.86 0.15 3.02 4.60 0.00 -1.26 -5.02 105.19 105.83 3dv4 n GLY 100 Ca -0.02 -1.55 -0.31 0.00 0.00 0.00 0.00 46.02 44.14 3dv4 n GLY 100 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dv4 s THR 101 N -2.71 1.71 -0.25 2.61 2.01 -0.30 -4.70 115.64 114.02 3dv4 s THR 101 Ca 0.00 -0.93 -0.22 0.00 0.31 0.00 0.00 61.69 60.84 3dv4 s THR 101 Cb 0.00 -1.71 -0.01 0.00 0.01 0.00 0.00 72.50 70.79 3dv4 s THR 101 CO 0.00 0.29 0.73 -0.75 -0.69 0.00 0.00 174.62 174.20 3dv4 s LYS 102 N 1.39 4.15 -0.26 4.92 2.20 -0.63 -0.68 119.74 130.83 3dv4 s LYS 102 Ca 0.01 0.75 -0.10 0.00 -0.36 0.00 0.00 55.97 56.27 3dv4 s LYS 102 Cb -0.15 -3.64 -0.05 0.00 -1.51 0.00 0.00 37.83 32.48 3dv4 s LYS 102 CO -0.09 -0.46 0.16 -1.17 -0.36 0.00 0.00 175.35 173.43 3dv4 s LEU 103 N 2.65 4.01 0.05 5.43 2.96 -0.06 -1.61 118.68 132.11 3dv4 s LEU 103 Ca 0.31 0.03 0.01 0.00 -0.22 0.00 0.00 54.13 54.26 3dv4 s LEU 103 Cb -0.15 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.40 3dv4 s LEU 103 CO 0.08 0.01 0.10 -1.61 -1.32 0.00 0.00 176.35 173.61 3dv4 s GLU 104 N 1.38 3.02 -0.32 1.98 2.02 -0.07 -3.16 118.70 123.55 3dv4 s GLU 104 Ca 0.07 -0.58 0.02 0.00 0.02 0.00 0.00 54.97 54.49 3dv4 s GLU 104 Cb -0.15 -2.82 0.10 0.00 0.10 0.00 0.00 34.13 31.36 3dv4 s GLU 104 CO 0.07 0.60 0.06 -0.51 0.02 0.00 0.00 175.26 175.50 3dv4 s LEU 105 N -2.17 3.46 0.00 1.80 1.43 -1.26 -1.97 118.68 119.96 3dv4 s LEU 105 Ca 0.28 -1.84 0.22 0.00 -1.03 0.00 0.00 54.13 51.76 3dv4 s LEU 105 Cb -0.12 -1.25 0.18 0.00 0.03 0.00 0.00 46.19 45.02 3dv4 s LEU 105 CO 0.20 -0.38 1.21 2.29 0.23 0.00 0.00 176.35 179.90