#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fgg h ALA 16 N 0.00 1.70 0.54 -1.41 0.00 -2.09 -2.93 119.26 115.07 3fgg h ALA 16 Ca 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3fgg h ALA 16 Cb 0.00 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.60 3fgg h ALA 16 CO 0.00 0.22 -0.26 0.78 0.00 0.00 0.00 179.25 179.99 3fgg h GLY 17 N 0.71 -0.76 -1.29 0.00 0.00 -2.09 -2.19 103.07 97.45 3fgg h GLY 17 Ca 0.26 0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.87 3fgg h GLY 17 CO -0.08 -0.27 0.00 2.41 0.00 0.00 0.00 176.54 178.60 3fgg n THR 18 N -5.34 0.00 0.00 4.70 -1.04 -1.11 -0.97 114.28 110.52 3fgg n THR 18 Ca -0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 3fgg n THR 18 Cb 0.32 -0.09 0.00 0.00 -1.82 0.00 0.00 70.33 68.75 3fgg n THR 18 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3fgg n THR 20 N 0.50 0.00 0.03 12.58 -1.04 -0.83 -0.93 114.28 124.60 3fgg n THR 20 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 3fgg n THR 20 Cb 0.00 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.46 3fgg n THR 20 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3fgg h LEU 21 N 0.00 -0.24 -0.21 -4.42 5.85 -1.33 -0.05 115.31 114.92 3fgg h LEU 21 Ca 0.00 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.77 3fgg h LEU 21 Cb 0.00 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 3fgg h LEU 21 CO 0.00 -0.11 0.13 -0.33 -0.34 0.00 0.00 178.44 177.78 3fgg h GLU 22 N -0.12 0.26 -0.11 1.25 5.08 -1.30 -2.85 114.58 116.78 3fgg h GLU 22 Ca 0.04 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.32 3fgg h GLU 22 Cb 0.18 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3fgg h GLU 22 CO -0.11 0.17 -0.24 0.00 -1.00 0.00 0.00 179.01 177.83 3fgg h ALA 23 N 1.08 1.39 0.00 3.43 0.00 -1.77 -0.61 119.26 122.78 3fgg h ALA 23 Ca 0.08 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3fgg h ALA 23 Cb -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3fgg h ALA 23 CO -0.03 0.43 0.00 0.98 0.00 0.00 0.00 179.25 180.63 3fgg n TYR 24 N -4.18 0.00 0.00 0.00 9.36 -0.05 -1.45 117.16 120.84 3fgg n TYR 24 Ca -0.01 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.21 3fgg n TYR 24 Cb 0.34 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.05 3fgg n TYR 24 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 3fgg n ARG 26 N 0.09 0.00 0.03 2.98 0.63 -0.24 -1.71 116.66 118.44 3fgg n ARG 26 Ca 0.00 0.00 -0.19 0.00 -0.92 0.00 0.00 57.85 56.74 3fgg n ARG 26 Cb 0.00 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 32.80 3fgg n ARG 26 CO 0.00 0.00 0.00 0.35 -2.51 0.00 0.00 177.63 175.47 3fgg h PHE 27 N 0.00 0.85 -0.64 -0.14 3.57 -1.51 -2.13 116.94 116.94 3fgg h PHE 27 Ca 0.00 -0.48 0.10 0.00 3.53 0.00 0.00 57.97 61.12 3fgg h PHE 27 Cb 0.00 -0.09 -0.07 0.00 2.79 0.00 0.00 35.95 38.58 3fgg h PHE 27 CO 0.00 1.31 0.25 1.03 -2.23 0.00 0.00 178.31 178.67 3fgg h SER 28 N 0.15 0.26 -0.99 0.41 0.87 -1.59 -0.74 113.55 111.92 3fgg h SER 28 Ca -0.12 0.08 0.02 0.00 -1.23 0.00 0.00 61.79 60.54 3fgg h SER 28 Cb 1.57 0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 63.52 3fgg h SER 28 CO 0.17 0.15 0.65 0.00 -0.53 0.00 0.00 176.83 177.27 3fgg h ALA 29 N 1.43 1.27 -0.57 6.23 0.00 -1.81 -2.42 119.26 123.39 3fgg h ALA 29 Ca 0.32 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 3fgg h ALA 29 Cb 0.40 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3fgg h ALA 29 CO -0.31 0.62 0.06 0.87 0.00 0.00 0.00 179.25 180.49 3fgg h LYS 30 N 1.32 0.94 -0.74 0.00 1.79 -0.80 -1.91 116.57 117.16 3fgg h LYS 30 Ca 0.37 -0.24 -0.01 0.00 -2.18 0.00 0.00 60.65 58.59 3fgg h LYS 30 Cb -0.11 -0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 30.39 3fgg h LYS 30 CO -0.09 0.89 0.44 -0.07 -1.08 0.00 0.00 179.45 179.54 3fgg h LEU 31 N 0.88 0.89 -0.51 2.94 3.38 -0.89 -0.19 115.31 121.81 3fgg h LEU 31 Ca 0.18 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 3fgg h LEU 31 Cb 0.43 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3fgg h LEU 31 CO 0.01 0.69 0.02 -1.28 0.09 0.00 0.00 178.44 177.97 3fgg h SER 32 N 1.02 0.87 0.25 -0.43 0.87 -1.18 -2.14 113.55 112.81 3fgg h SER 32 Ca 0.27 -0.30 -0.06 0.00 -1.23 0.00 0.00 61.79 60.47 3fgg h SER 32 Cb -0.03 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.68 3fgg h SER 32 CO -0.05 0.95 -0.28 -0.08 -0.53 0.00 0.00 176.83 176.85 3fgg h GLU 33 N 0.77 0.06 -0.60 2.24 4.81 -0.95 -2.69 114.58 118.21 3fgg h GLU 33 Ca 0.15 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.26 3fgg h GLU 33 Cb 0.49 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 3fgg h GLU 33 CO 0.02 0.33 -0.01 0.00 -0.73 0.00 0.00 179.01 178.62 3fgg h ALA 34 N 1.67 0.81 -0.71 2.92 0.00 -0.75 -1.41 119.26 121.79 3fgg h ALA 34 Ca 0.01 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.62 3fgg h ALA 34 Cb 0.52 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 3fgg h ALA 34 CO 0.04 0.66 0.46 -0.22 0.00 0.00 0.00 179.25 180.19 3fgg h LYS 35 N 0.96 0.89 -0.28 0.00 3.64 -1.18 -3.03 116.57 117.57 3fgg h LYS 35 Ca 0.17 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.34 3fgg h LYS 35 Cb 0.57 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 3fgg h LYS 35 CO 0.03 0.59 -0.43 0.22 -2.27 0.00 0.00 179.45 177.59 3fgg h ASP 36 N 0.92 0.77 -0.65 4.20 3.58 -1.41 -3.47 116.42 120.35 3fgg h ASP 36 Ca 0.27 -0.36 -0.41 0.00 0.42 0.00 0.00 57.03 56.94 3fgg h ASP 36 Cb -0.05 -0.22 -0.19 0.00 1.72 0.00 0.00 39.33 40.59 3fgg h ASP 36 CO -0.08 1.10 0.53 -0.62 -2.88 0.00 0.00 179.24 177.29 3fgg n GLU 37 N -4.02 2.02 -4.03 0.28 1.02 -0.54 -5.11 120.64 110.25 3fgg n GLU 37 Ca -0.02 -2.09 -0.22 0.00 -0.02 0.00 0.00 57.16 54.81 3fgg n GLU 37 Cb 0.55 -1.82 -0.04 0.00 -0.02 0.00 0.00 31.44 30.11 3fgg n GLU 37 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3fgg s GLY 39 N -0.49 1.45 0.14 0.62 0.00 -1.26 -5.07 107.32 102.71 3fgg s GLY 39 Ca 0.41 -1.44 -0.16 0.00 0.00 0.00 0.00 44.72 43.53 3fgg s GLY 39 CO 0.01 -1.46 1.70 -0.84 0.00 0.00 0.00 173.10 172.52 3fgg h THR 40 N 1.40 1.19 0.00 0.90 2.02 -1.99 -1.36 112.91 115.07 3fgg h THR 40 Ca -0.48 -0.56 -0.00 0.00 0.77 0.00 0.00 66.41 66.14 3fgg h THR 40 Cb 1.24 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 3fgg h THR 40 CO 0.60 0.21 -0.00 0.50 0.37 0.00 0.00 175.52 177.20 3fgg h LYS 41 N 0.53 -0.00 -0.89 6.66 3.64 -2.04 -2.48 116.57 121.98 3fgg h LYS 41 Ca 0.14 0.00 0.23 0.00 -1.27 0.00 0.00 60.65 59.75 3fgg h LYS 41 Cb 0.16 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 31.85 3fgg h LYS 41 CO -0.01 0.42 0.35 1.49 -2.27 0.00 0.00 179.45 179.42 3fgg h GLU 42 N -0.43 0.32 -0.01 1.90 4.81 -1.99 -0.24 114.58 118.94 3fgg h GLU 42 Ca -0.00 -0.02 -0.17 0.00 -0.13 0.00 0.00 59.36 59.04 3fgg h GLU 42 Cb 0.43 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 3fgg h GLU 42 CO 0.00 0.21 -0.77 -0.92 -0.73 0.00 0.00 179.01 176.80 3fgg h TYR 43 N 0.33 0.13 0.22 0.92 3.20 -1.18 -1.75 116.97 118.84 3fgg h TYR 43 Ca 0.57 -0.07 -0.01 0.00 3.14 0.00 0.00 58.73 62.36 3fgg h TYR 43 Cb 1.12 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.37 3fgg h TYR 43 CO -0.17 0.83 -0.11 0.93 -1.64 0.00 0.00 178.16 178.00 3fgg h GLU 44 N 0.06 -0.29 -0.67 1.82 5.08 -0.60 -0.83 114.58 119.15 3fgg h GLU 44 Ca -0.02 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3fgg h GLU 44 Cb 1.36 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.65 3fgg h GLU 44 CO 0.11 -0.20 0.39 0.28 -1.00 0.00 0.00 179.01 178.59 3fgg h VAL 45 N -0.30 1.20 -0.58 3.13 2.07 -1.27 -1.89 116.25 118.61 3fgg h VAL 45 Ca -0.03 -0.48 -0.10 0.00 0.82 0.00 0.00 66.70 66.91 3fgg h VAL 45 Cb 0.24 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 3fgg h VAL 45 CO 0.05 0.22 -0.03 0.15 0.02 0.00 0.00 177.57 177.97 3fgg h PHE 46 N 0.92 1.13 -0.50 1.57 3.57 -1.26 -1.84 116.94 120.54 3fgg h PHE 46 Ca 0.24 -0.20 -0.11 0.00 3.53 0.00 0.00 57.97 61.43 3fgg h PHE 46 Cb 0.01 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.44 3fgg h PHE 46 CO -0.01 1.01 -0.11 1.15 -2.23 0.00 0.00 178.31 178.12 3fgg h THR 47 N 0.94 1.27 0.40 4.41 2.02 -0.74 -1.30 112.91 119.91 3fgg h THR 47 Ca 0.16 -1.24 -0.02 0.00 0.77 0.00 0.00 66.41 66.08 3fgg h THR 47 Cb 0.58 1.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 3fgg h THR 47 CO 0.03 0.43 -0.19 0.50 0.37 0.00 0.00 175.52 176.67 3fgg h LYS 48 N 0.84 -0.52 -0.79 6.66 3.64 -1.28 -1.66 116.57 123.46 3fgg h LYS 48 Ca 0.13 0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.51 3fgg h LYS 48 Cb 0.65 0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.55 3fgg h LYS 48 CO 0.05 -0.32 0.36 0.93 -2.27 0.00 0.00 179.45 178.19 3fgg h GLU 49 N -0.57 1.15 0.00 1.90 4.39 -1.13 -1.79 114.58 118.52 3fgg h GLU 49 Ca -0.05 -0.18 -0.04 0.00 0.34 0.00 0.00 59.36 59.42 3fgg h GLU 49 Cb 0.43 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 3fgg h GLU 49 CO 0.09 0.90 -0.19 1.25 -1.16 0.00 0.00 179.01 179.91 3fgg h LEU 50 N 1.12 0.00 -0.21 1.33 5.85 -1.22 -1.56 115.31 120.63 3fgg h LEU 50 Ca 0.27 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.77 3fgg h LEU 50 Cb 0.15 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.19 3fgg h LEU 50 CO -0.03 0.19 -0.79 0.50 -0.34 0.00 0.00 178.44 177.97 3fgg h LYS 51 N 0.00 0.69 -0.48 1.25 1.63 -0.50 -1.01 116.57 118.15 3fgg h LYS 51 Ca -0.00 -0.58 0.06 0.00 -0.85 0.00 0.00 60.65 59.28 3fgg h LYS 51 Cb 0.35 0.12 -0.05 0.00 -0.60 0.00 0.00 32.23 32.05 3fgg h LYS 51 CO 0.02 1.19 0.19 0.87 -3.45 0.00 0.00 179.45 178.27 3fgg h LYS 52 N 0.46 0.36 -0.14 1.90 1.57 -0.97 0.12 116.57 119.88 3fgg h LYS 52 Ca -0.05 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3fgg h LYS 52 Cb 1.41 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.63 3fgg h LYS 52 CO 0.16 0.24 0.03 1.25 -0.57 0.00 0.00 179.45 180.56 3fgg h LEU 53 N 0.37 0.21 -0.56 2.94 5.85 -1.03 -1.12 115.31 121.97 3fgg h LEU 53 Ca 0.22 -0.24 -0.13 0.00 0.84 0.00 0.00 57.88 58.58 3fgg h LEU 53 Cb 0.21 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 3fgg h LEU 53 CO -0.22 0.40 -0.27 0.71 -0.34 0.00 0.00 178.44 178.72 3fgg h THR 54 N 0.02 1.27 -0.67 1.05 1.35 -1.04 -1.28 112.91 113.61 3fgg h THR 54 Ca 0.04 -1.42 0.06 0.00 -0.55 0.00 0.00 66.41 64.54 3fgg h THR 54 Cb 0.27 1.24 -0.05 0.00 -1.73 0.00 0.00 68.15 67.87 3fgg h THR 54 CO 0.00 0.48 0.38 0.78 -0.25 0.00 0.00 175.52 176.91 3fgg h ASN 55 N 0.74 0.58 -0.63 5.36 2.35 -0.67 -2.14 115.58 121.16 3fgg h ASN 55 Ca 0.09 0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.81 3fgg h ASN 55 Cb 0.82 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 39.07 3fgg h ASN 55 CO 0.07 0.38 0.19 0.00 -1.65 0.00 0.00 177.43 176.42 3fgg h ALA 56 N 1.34 0.83 -0.16 -0.83 0.00 -0.57 -0.14 119.26 119.72 3fgg h ALA 56 Ca 0.30 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3fgg h ALA 56 Cb 0.17 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3fgg h ALA 56 CO -0.17 0.50 -0.24 0.87 0.00 0.00 0.00 179.25 180.21 3fgg h LYS 57 N 0.91 0.28 -0.20 0.00 1.79 -1.01 -0.32 116.57 118.02 3fgg h LYS 57 Ca 0.20 -0.09 -0.18 0.00 -2.18 0.00 0.00 60.65 58.40 3fgg h LYS 57 Cb 0.30 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.92 3fgg h LYS 57 CO -0.01 0.51 -0.61 -0.07 -1.08 0.00 0.00 179.45 178.19 3fgg h LEU 58 N 0.26 0.76 -0.01 2.94 4.07 -1.05 -0.56 115.31 121.71 3fgg h LEU 58 Ca 0.04 -0.43 -0.26 0.00 0.08 0.00 0.00 57.88 57.32 3fgg h LEU 58 Cb 0.56 -0.22 0.01 0.00 1.08 0.00 0.00 40.66 42.09 3fgg h LEU 58 CO 0.04 1.19 -1.11 0.00 -1.08 0.00 0.00 178.44 177.47 3fgg h ALA 59 N 0.82 0.21 0.00 1.53 0.00 -0.55 -3.39 119.26 117.87 3fgg h ALA 59 Ca -0.00 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.11 3fgg h ALA 59 Cb 1.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3fgg h ALA 59 CO 0.12 0.87 -0.03 0.66 0.00 0.00 0.00 179.25 180.87 3fgg n TYR 60 N -3.65 0.00 -2.19 0.00 4.01 -0.17 -5.07 117.16 110.09 3fgg n TYR 60 Ca -0.08 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.34 3fgg n TYR 60 Cb 0.94 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.95 3fgg n TYR 60 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3fgg s GLY 61 N -0.90 1.92 0.00 2.72 0.00 -0.22 -4.49 107.32 106.36 3fgg s GLY 61 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 44.72 44.81 3fgg s GLY 61 CO 0.00 0.36 0.00 2.09 0.00 0.00 0.00 173.10 175.55 3fgg n ASP 62 N -2.03 0.00 -0.10 1.64 5.75 0.08 -4.76 116.55 117.13 3fgg n ASP 62 Ca 0.06 -0.81 0.25 0.00 -0.01 0.00 0.00 54.79 54.29 3fgg n ASP 62 Cb 0.54 0.00 0.71 0.00 -1.03 0.00 0.00 41.12 41.34 3fgg n ASP 62 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3fgg h ALA 63 N -1.76 2.69 -0.67 2.12 0.00 -1.98 0.27 119.26 119.92 3fgg h ALA 63 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3fgg h ALA 63 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3fgg h ALA 63 CO 0.00 -0.93 0.00 0.09 0.00 0.00 0.00 179.25 178.41 3fgg n ASN 64 N -4.26 4.35 -0.30 0.00 5.03 -1.26 -4.93 115.26 113.89 3fgg n ASN 64 Ca 0.15 -2.27 -0.04 0.00 0.87 0.00 0.00 54.58 53.29 3fgg n ASN 64 Cb 0.82 -0.54 -0.02 0.00 -1.02 0.00 0.00 39.78 39.03 3fgg n ASN 64 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3fgg n GLY 65 N 1.33 0.58 3.75 7.41 0.00 0.93 -5.02 105.19 114.17 3fgg n GLY 65 Ca 0.25 -0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 3fgg n GLY 65 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3fgg s ASN 66 N -2.30 7.19 -0.10 1.61 0.01 -1.26 -4.61 114.94 115.49 3fgg s ASN 66 Ca 0.00 1.42 -0.12 0.00 -0.71 0.00 0.00 52.86 53.46 3fgg s ASN 66 Cb 0.00 -2.46 -0.05 0.00 0.41 0.00 0.00 41.25 39.15 3fgg s ASN 66 CO 0.00 0.03 0.27 -0.63 -1.51 0.00 0.00 177.10 175.26 3fgg s ILE 67 N -0.10 5.29 -1.06 0.60 1.01 -1.26 -0.74 121.20 124.93 3fgg s ILE 67 Ca 0.38 0.52 -0.21 0.00 0.00 0.00 0.00 60.65 61.33 3fgg s ILE 67 Cb -0.20 -3.58 0.07 0.00 0.01 0.00 0.00 42.46 38.76 3fgg s ILE 67 CO 0.22 0.52 1.44 -0.62 0.00 0.00 0.00 174.94 176.51 3fgg s ASP 68 N -0.49 6.61 0.52 3.58 -1.08 -1.26 -4.02 116.67 120.53 3fgg s ASP 68 Ca 0.18 -1.80 0.20 0.00 -0.52 0.00 0.00 52.55 50.61 3fgg s ASP 68 Cb -0.14 -2.53 1.36 0.00 -1.46 0.00 0.00 42.92 40.15 3fgg s ASP 68 CO 0.07 -1.34 2.13 1.88 0.52 0.00 0.00 175.17 178.43 3fgg h TYR 69 N 9.13 0.00 0.00 -5.34 0.05 -1.95 -1.86 116.97 116.99 3fgg h TYR 69 Ca 0.24 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 59.00 3fgg h TYR 69 Cb 0.98 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.72 3fgg h TYR 69 CO 1.28 0.05 -0.11 -0.44 -1.05 0.00 0.00 178.16 177.90 3fgg h ASP 70 N 0.00 0.00 1.23 3.88 3.32 -2.00 -2.90 116.42 119.95 3fgg h ASP 70 Ca -0.00 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 3fgg h ASP 70 Cb 0.10 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 3fgg h ASP 70 CO 0.01 0.11 -0.42 0.00 -1.72 0.00 0.00 179.24 177.22 3fgg h ALA 71 N 1.89 0.82 -2.38 3.45 0.00 -1.75 -3.46 119.26 117.83 3fgg h ALA 71 Ca -0.00 -0.38 -0.50 0.00 0.00 0.00 0.00 54.91 54.03 3fgg h ALA 71 Cb 0.49 -0.07 0.09 0.00 0.00 0.00 0.00 17.79 18.30 3fgg h ALA 71 CO 0.01 0.52 0.37 -0.51 0.00 0.00 0.00 179.25 179.64 3fgg s LEU 72 N -6.67 3.36 0.59 0.00 1.43 -1.10 -5.02 118.68 111.28 3fgg s LEU 72 Ca 0.02 1.85 -0.19 0.00 -1.03 0.00 0.00 54.13 54.78 3fgg s LEU 72 Cb 0.09 -4.53 -0.03 0.00 0.03 0.00 0.00 46.19 41.74 3fgg s LEU 72 CO 0.71 -1.45 1.24 -0.94 0.23 0.00 0.00 176.35 176.14 3fgg s SER 73 N -2.92 5.12 0.36 2.29 1.04 -1.26 -4.80 113.70 113.54 3fgg s SER 73 Ca 0.64 2.47 0.13 0.00 0.48 0.00 0.00 55.95 59.67 3fgg s SER 73 Cb -0.17 -2.61 0.94 0.00 0.10 0.00 0.00 66.02 64.28 3fgg s SER 73 CO 0.43 -1.65 1.79 -0.65 0.98 0.00 0.00 173.24 174.14 3fgg h PRO 74 N 0.93 0.54 0.32 4.02 0.11 -1.95 -0.95 132.00 135.02 3fgg h PRO 74 Ca -0.51 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.56 3fgg h PRO 74 Cb 1.30 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3fgg h PRO 74 CO 0.55 0.36 -0.17 1.49 -0.21 0.00 0.00 178.00 180.02 3fgg h GLU 75 N 0.55 -0.44 -0.44 1.05 4.81 -1.99 -0.36 114.58 117.76 3fgg h GLU 75 Ca 0.57 0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.75 3fgg h GLU 75 Cb 1.18 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.64 3fgg h GLU 75 CO -0.32 -0.29 -0.05 -0.22 -0.73 0.00 0.00 179.01 177.40 3fgg h LYS 76 N -0.46 0.75 -0.57 1.92 1.63 -1.80 -1.70 116.57 116.35 3fgg h LYS 76 Ca -0.04 -0.22 -0.05 0.00 -0.85 0.00 0.00 60.65 59.49 3fgg h LYS 76 Cb 0.36 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.89 3fgg h LYS 76 CO 0.06 0.80 0.17 -0.09 -3.45 0.00 0.00 179.45 176.94 3fgg h ARG 77 N 0.70 0.90 -0.64 1.90 2.43 -1.04 -2.47 114.38 116.15 3fgg h ARG 77 Ca 0.13 -0.20 0.06 0.00 -0.81 0.00 0.00 59.98 59.16 3fgg h ARG 77 Cb 0.50 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 29.87 3fgg h ARG 77 CO 0.03 0.82 0.35 0.93 -1.51 0.00 0.00 179.97 180.58 3fgg h GLU 78 N 0.81 0.62 -0.80 0.20 5.08 -0.66 -2.15 114.58 117.68 3fgg h GLU 78 Ca 0.18 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3fgg h GLU 78 Cb 0.30 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3fgg h GLU 78 CO -0.00 0.41 0.00 0.39 -1.00 0.00 0.00 179.01 178.81 3fgg n GLU 79 N -4.81 0.04 0.00 2.33 1.02 -0.68 -1.31 120.64 117.23 3fgg n GLU 79 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 3fgg n GLU 79 Cb 0.17 -1.20 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 3fgg n GLU 79 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3fgg n LYS 81 N 0.67 0.00 -0.09 3.49 4.81 -0.81 -1.70 118.16 124.53 3fgg n LYS 81 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.35 3fgg n LYS 81 Cb 0.02 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.05 3fgg n LYS 81 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 3fgg h THR 82 N 0.00 1.10 -0.50 3.15 2.02 -1.46 -2.95 112.91 114.26 3fgg h THR 82 Ca 0.00 -0.21 0.05 0.00 0.77 0.00 0.00 66.41 67.02 3fgg h THR 82 Cb 0.00 0.69 -0.05 0.00 -1.74 0.00 0.00 68.15 67.05 3fgg h THR 82 CO 0.00 0.09 0.24 0.58 0.37 0.00 0.00 175.52 176.80 3fgg h VAL 83 N 0.40 0.93 0.00 3.16 2.07 -1.61 -2.42 116.25 118.78 3fgg h VAL 83 Ca 0.11 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 3fgg h VAL 83 Cb -0.01 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.18 3fgg h VAL 83 CO -0.02 0.09 -0.00 -1.54 0.02 0.00 0.00 177.57 176.11 3fgg n SER 84 N -4.91 3.38 0.00 0.57 3.41 -1.11 -1.74 113.62 113.22 3fgg n SER 84 Ca 0.04 -1.90 0.00 0.00 -0.26 0.00 0.00 58.87 56.76 3fgg n SER 84 Cb 0.15 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.38 3fgg n SER 84 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fgg n GLY 86 N 1.70 0.00 0.16 5.00 0.00 -0.91 -0.99 105.19 110.15 3fgg n GLY 86 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 3fgg n GLY 86 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3fgg h LEU 87 N 0.00 0.00 -1.05 0.99 3.38 -1.63 -3.40 115.31 113.60 3fgg h LEU 87 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3fgg h LEU 87 Cb 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 3fgg h LEU 87 CO 0.00 0.01 0.58 -0.61 0.09 0.00 0.00 178.44 178.51 3fgg h GLN 88 N 0.00 1.22 -0.22 1.13 5.75 -1.33 -2.48 115.11 119.18 3fgg h GLN 88 Ca 0.00 -0.09 -0.11 0.00 -0.15 0.00 0.00 58.65 58.30 3fgg h GLN 88 Cb 0.97 -0.27 -0.01 0.00 1.07 0.00 0.00 27.48 29.24 3fgg h GLN 88 CO 0.00 0.83 -0.35 -1.35 -2.65 0.00 0.00 178.83 175.31 3fgg h PRO 89 N 1.25 0.46 -0.65 -2.39 0.11 -1.86 0.01 132.00 128.93 3fgg h PRO 89 Ca 0.33 -0.21 0.06 0.00 0.11 0.00 0.00 66.00 66.29 3fgg h PRO 89 Cb -0.10 -0.01 -0.06 0.00 0.11 0.00 0.00 31.00 30.94 3fgg h PRO 89 CO -0.07 0.75 0.36 -0.92 -0.21 0.00 0.00 178.00 177.91 3fgg h TYR 90 N 0.39 0.65 -0.50 0.65 3.20 -1.73 -2.14 116.97 117.49 3fgg h TYR 90 Ca 0.04 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.86 3fgg h TYR 90 Cb 0.80 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 3fgg h TYR 90 CO 0.03 0.31 -0.02 0.74 -1.64 0.00 0.00 178.16 177.57 3fgg h PHE 91 N 0.66 0.91 -0.43 -3.82 0.04 -1.15 -1.13 116.94 112.01 3fgg h PHE 91 Ca 0.29 -0.14 0.02 0.00 2.80 0.00 0.00 57.97 60.94 3fgg h PHE 91 Cb 0.19 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 38.07 3fgg h PHE 91 CO -0.08 0.84 0.26 -0.44 -0.60 0.00 0.00 178.31 178.28 3fgg h ASP 92 N 0.78 0.42 -0.45 2.17 3.32 -0.90 -1.06 116.42 120.69 3fgg h ASP 92 Ca 0.15 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 3fgg h ASP 92 Cb 0.50 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 3fgg h ASP 92 CO 0.02 0.30 0.27 0.50 -1.72 0.00 0.00 179.24 178.62 3fgg h LYS 93 N 0.52 0.62 -0.09 3.56 3.64 -1.08 0.12 116.57 123.85 3fgg h LYS 93 Ca 0.17 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3fgg h LYS 93 Cb -0.00 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 3fgg h LYS 93 CO -0.07 0.46 0.03 -0.07 -2.27 0.00 0.00 179.45 177.53 3fgg h LEU 94 N 0.60 0.11 0.00 5.20 3.38 -1.05 -1.06 115.31 122.50 3fgg h LEU 94 Ca 0.16 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3fgg h LEU 94 Cb -0.00 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3fgg h LEU 94 CO -0.03 0.10 0.00 0.59 0.09 0.00 0.00 178.44 179.19 3fgg n ASN 95 N -4.50 0.00 -1.24 -0.43 3.02 -0.42 -4.90 115.26 106.80 3fgg n ASN 95 Ca -0.02 -0.84 -0.13 0.00 -0.03 0.00 0.00 54.58 53.56 3fgg n ASN 95 Cb 0.10 -0.03 -0.03 0.00 -0.61 0.00 0.00 39.78 39.21 3fgg n ASN 95 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fgg n GLY 96 N 0.85 0.69 3.72 7.41 0.00 -0.40 -5.02 105.19 112.44 3fgg n GLY 96 Ca 0.21 -0.37 -0.23 0.00 0.00 0.00 0.00 46.02 45.63 3fgg n GLY 96 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3fgg s HIS 97 N -2.57 2.86 0.84 1.61 3.76 0.34 -4.99 115.29 117.14 3fgg s HIS 97 Ca 0.00 -0.18 -0.10 0.00 -0.15 0.00 0.00 55.06 54.62 3fgg s HIS 97 Cb 0.00 -1.29 0.10 0.00 1.11 0.00 0.00 32.58 32.49 3fgg s HIS 97 CO 0.00 0.57 1.12 -1.59 -0.85 0.00 0.00 174.74 173.99 3fgg s LYS 98 N -3.75 1.66 0.14 1.40 -2.85 -1.16 -3.65 119.74 111.53 3fgg s LYS 98 Ca 0.32 1.33 -0.31 0.00 -1.00 0.00 0.00 55.97 56.31 3fgg s LYS 98 Cb -0.07 -1.82 -0.09 0.00 -2.06 0.00 0.00 37.83 33.79 3fgg s LYS 98 CO 0.22 -2.11 1.54 0.45 0.10 0.00 0.00 175.35 175.55 3fgg s SER 99 N -3.06 6.64 0.36 0.03 0.15 -1.26 -4.80 113.70 111.76 3fgg s SER 99 Ca 0.64 2.54 0.18 0.00 0.70 0.00 0.00 55.95 60.01 3fgg s SER 99 Cb -0.20 -2.59 0.58 0.00 -1.71 0.00 0.00 66.02 62.11 3fgg s SER 99 CO 0.57 -0.80 1.68 0.77 1.20 0.00 0.00 173.24 176.66 3fgg h SER 100 N 7.03 0.00 -0.63 5.45 4.64 -1.93 -2.77 113.55 125.36 3fgg h SER 100 Ca -0.42 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.88 3fgg h SER 100 Cb 1.20 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.26 3fgg h SER 100 CO 0.91 0.39 0.33 0.50 -0.87 0.00 0.00 176.83 178.09 3fgg h LYS 101 N 0.00 0.91 0.06 4.77 3.64 -1.91 -1.86 116.57 122.18 3fgg h LYS 101 Ca -0.00 -0.11 -0.24 0.00 -1.27 0.00 0.00 60.65 59.03 3fgg h LYS 101 Cb 0.98 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.61 3fgg h LYS 101 CO 0.05 0.68 -1.14 0.93 -2.27 0.00 0.00 179.45 177.71 3fgg h GLU 102 N 0.91 0.13 0.00 1.90 4.39 -1.90 -3.32 114.58 116.69 3fgg h GLU 102 Ca 0.23 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 59.71 3fgg h GLU 102 Cb 0.06 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 3fgg h GLU 102 CO -0.03 1.09 -0.61 1.33 -1.16 0.00 0.00 179.01 179.63 3fgg n VAL 103 N -3.43 0.21 -4.14 3.13 0.24 -1.12 -4.89 118.33 108.33 3fgg n VAL 103 Ca -0.04 -0.18 -0.25 0.00 -2.04 0.00 0.00 64.34 61.83 3fgg n VAL 103 Cb 0.98 0.01 -0.06 0.00 -1.47 0.00 0.00 33.84 33.30 3fgg n VAL 103 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3fgg s LEU 104 N -3.77 3.61 0.86 1.34 1.43 -0.70 -5.09 118.68 116.35 3fgg s LEU 104 Ca 0.08 -0.27 -0.12 0.00 -1.03 0.00 0.00 54.13 52.79 3fgg s LEU 104 Cb 0.15 -2.21 0.11 0.00 0.03 0.00 0.00 46.19 44.26 3fgg s LEU 104 CO 0.72 0.05 1.09 -0.89 0.23 0.00 0.00 176.35 177.55 3fgg s THR 105 N -1.87 2.79 0.08 5.49 2.01 -1.26 -4.83 115.64 118.04 3fgg s THR 105 Ca 0.30 0.26 -0.22 0.00 0.31 0.00 0.00 61.69 62.34 3fgg s THR 105 Cb -0.09 -2.84 -0.12 0.00 0.01 0.00 0.00 72.50 69.45 3fgg s THR 105 CO 0.22 -0.33 1.66 -0.61 -0.69 0.00 0.00 174.62 174.87 3fgg h GLN 106 N -1.38 0.14 -0.52 4.92 4.15 -1.99 -1.00 115.11 119.43 3fgg h GLN 106 Ca -0.49 -0.02 0.06 0.00 0.77 0.00 0.00 58.65 58.98 3fgg h GLN 106 Cb 1.28 -0.03 -0.05 0.00 0.21 0.00 0.00 27.48 28.89 3fgg h GLN 106 CO 0.56 0.19 0.22 0.93 -1.93 0.00 0.00 178.83 178.81 3fgg h GLU 107 N 0.04 0.41 -0.38 1.69 5.08 -1.99 -1.79 114.58 117.63 3fgg h GLU 107 Ca 0.03 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 3fgg h GLU 107 Cb 0.10 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 3fgg h GLU 107 CO -0.00 0.27 -0.11 0.93 -1.00 0.00 0.00 179.01 179.09 3fgg h GLU 108 N 0.42 0.67 -0.19 2.33 5.08 -1.88 -1.48 114.58 119.54 3fgg h GLU 108 Ca 0.25 -0.21 -0.15 0.00 -1.00 0.00 0.00 59.36 58.24 3fgg h GLU 108 Cb 0.23 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3fgg h GLU 108 CO -0.22 0.77 -0.52 0.35 -1.00 0.00 0.00 179.01 178.39 3fgg h PHE 109 N 0.61 0.65 -0.24 4.33 3.57 -0.96 0.50 116.94 125.41 3fgg h PHE 109 Ca 0.11 -0.22 -0.01 0.00 3.53 0.00 0.00 57.97 61.37 3fgg h PHE 109 Cb 0.55 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 3fgg h PHE 109 CO 0.02 0.93 0.10 0.22 -2.23 0.00 0.00 178.31 177.35 3fgg h ASP 110 N 0.41 0.33 -0.65 0.41 1.82 -1.14 -3.02 116.42 114.57 3fgg h ASP 110 Ca 0.01 -0.16 -0.03 0.00 -0.39 0.00 0.00 57.03 56.46 3fgg h ASP 110 Cb 1.04 -0.09 -0.03 0.00 0.68 0.00 0.00 39.33 40.94 3fgg h ASP 110 CO 0.10 0.40 0.30 -0.09 -1.61 0.00 0.00 179.24 178.34 3fgg h ARG 111 N 0.24 0.98 -0.39 0.28 2.43 -1.02 -2.47 114.38 114.42 3fgg h ARG 111 Ca 0.08 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3fgg h ARG 111 Cb 0.17 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3fgg h ARG 111 CO -0.01 0.77 0.00 0.98 -1.51 0.00 0.00 179.97 180.20 3fgg n TYR 112 N -4.32 0.00 0.00 2.20 9.36 0.15 -0.69 117.16 123.86 3fgg n TYR 112 Ca 0.06 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.28 3fgg n TYR 112 Cb 0.15 -0.02 0.00 0.00 -0.63 0.00 0.00 39.34 38.84 3fgg n TYR 112 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 3fgg n GLU 114 N 0.54 0.00 -0.10 2.98 1.02 -0.93 -1.20 120.64 122.94 3fgg n GLU 114 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 3fgg n GLU 114 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 3fgg n GLU 114 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3fgg h ALA 115 N 0.00 0.42 0.00 0.62 0.00 -1.19 -0.98 119.26 118.14 3fgg h ALA 115 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3fgg h ALA 115 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3fgg h ALA 115 CO 0.00 0.24 0.00 1.28 0.00 0.00 0.00 179.25 180.77 3fgg n LEU 116 N -4.48 0.42 0.00 0.00 4.77 -0.34 -1.23 117.00 116.14 3fgg n LEU 116 Ca -0.03 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 3fgg n LEU 116 Cb 0.32 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3fgg n LEU 116 CO 0.40 0.07 0.00 0.41 -1.33 0.00 0.00 177.39 176.95 3fgg n THR 118 N 0.77 0.00 -0.29 -5.08 -1.04 -0.37 -1.85 114.28 106.41 3fgg n THR 118 Ca 0.00 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.96 3fgg n THR 118 Cb 0.07 0.00 0.07 0.00 -1.82 0.00 0.00 70.33 68.65 3fgg n THR 118 CO 0.00 0.00 0.00 -0.74 -0.64 0.00 0.00 175.07 173.69 3fgg h HIS 119 N 0.00 1.08 -0.69 -1.42 6.17 -1.43 -1.42 115.15 117.44 3fgg h HIS 119 Ca 0.00 -0.02 -0.07 0.00 0.71 0.00 0.00 60.37 60.98 3fgg h HIS 119 Cb 0.00 -0.35 -0.03 0.00 2.52 0.00 0.00 27.41 29.56 3fgg h HIS 119 CO 0.00 0.75 0.14 1.49 0.71 0.00 0.00 177.93 181.03 3fgg h GLU 120 N 1.09 1.11 -0.59 5.26 4.81 -1.64 -1.78 114.58 122.85 3fgg h GLU 120 Ca 0.28 -0.28 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 3fgg h GLU 120 Cb 0.03 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 3fgg h GLU 120 CO -0.05 0.99 0.38 0.82 -0.73 0.00 0.00 179.01 180.43 3fgg h ILE 121 N 1.05 1.13 -0.48 2.32 2.04 -1.55 -1.98 117.51 120.04 3fgg h ILE 121 Ca 0.21 -0.27 -0.08 0.00 1.00 0.00 0.00 64.86 65.73 3fgg h ILE 121 Cb 0.40 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 3fgg h ILE 121 CO 0.01 0.14 -0.03 0.58 0.00 0.00 0.00 178.15 178.85 3fgg h VAL 122 N 0.78 1.25 -0.60 1.67 2.07 -1.11 -0.37 116.25 119.93 3fgg h VAL 122 Ca 0.22 -1.06 0.05 0.00 0.82 0.00 0.00 66.70 66.73 3fgg h VAL 122 Cb -0.06 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 3fgg h VAL 122 CO -0.06 0.37 0.40 0.03 0.02 0.00 0.00 177.57 178.33 3fgg h ARG 123 N 0.75 0.63 -0.19 1.57 3.08 -0.78 -1.07 114.38 118.37 3fgg h ARG 123 Ca 0.14 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.09 3fgg h ARG 123 Cb 0.49 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 3fgg h ARG 123 CO 0.02 0.42 -0.12 0.28 -1.07 0.00 0.00 179.97 179.50 3fgg h VAL 124 N 0.65 1.32 -0.23 2.04 2.07 -0.40 -1.13 116.25 120.57 3fgg h VAL 124 Ca 0.25 -1.21 -0.11 0.00 0.82 0.00 0.00 66.70 66.45 3fgg h VAL 124 Cb 0.17 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 3fgg h VAL 124 CO -0.07 0.37 -0.31 0.11 0.02 0.00 0.00 177.57 177.69 3fgg h LYS 125 N 0.10 0.46 -0.50 1.57 1.79 -0.82 -2.85 116.57 116.33 3fgg h LYS 125 Ca 0.04 -0.19 0.00 0.00 -2.18 0.00 0.00 60.65 58.32 3fgg h LYS 125 Cb 0.62 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.26 3fgg h LYS 125 CO 0.03 0.72 0.00 0.25 -1.08 0.00 0.00 179.45 179.37 3fgg n THR 126 N -4.09 0.65 -3.50 -0.16 -2.24 -0.44 -4.95 114.28 99.56 3fgg n THR 126 Ca -0.01 -0.81 -0.19 0.00 -2.27 0.00 0.00 64.05 60.77 3fgg n THR 126 Cb 0.44 0.80 -0.06 0.00 -2.10 0.00 0.00 70.33 69.41 3fgg n THR 126 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 3fgg n LYS 127 N 1.52 -0.94 -4.85 -0.78 0.00 -0.47 -4.90 118.16 107.74 3fgg n LYS 127 Ca 0.21 0.06 -0.33 0.00 -0.00 0.00 0.00 58.31 58.25 3fgg n LYS 127 Cb 0.60 -2.15 -0.14 0.00 -0.00 0.00 0.00 35.03 33.34 3fgg n LYS 127 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 3fgg s SER 128 N -3.56 4.03 -0.06 -5.58 0.15 -0.97 -5.02 113.70 102.68 3fgg s SER 128 Ca 0.08 -0.24 0.21 0.00 0.70 0.00 0.00 55.95 56.69 3fgg s SER 128 Cb -0.04 -1.12 -0.31 0.00 -1.71 0.00 0.00 66.02 62.84 3fgg s SER 128 CO 0.58 0.28 0.40 1.07 1.20 0.00 0.00 173.24 176.77 3fgg n THR 129 N 2.74 0.37 0.00 6.45 5.66 -1.26 -4.71 114.28 123.53 3fgg n THR 129 Ca -0.18 -0.59 0.00 0.00 -3.05 0.00 0.00 64.05 60.23 3fgg n THR 129 Cb 0.52 -0.13 0.00 0.00 -1.55 0.00 0.00 70.33 69.17 3fgg n THR 129 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3fgg n GLY 130 N 1.38 0.87 3.73 1.09 0.00 -1.26 -5.05 105.19 105.95 3fgg n GLY 130 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 3fgg n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fgg s ALA 131 N -2.70 3.27 0.17 4.61 0.00 -1.26 -5.02 121.76 120.82 3fgg s ALA 131 Ca 0.00 0.62 -0.21 0.00 0.00 0.00 0.00 51.96 52.36 3fgg s ALA 131 Cb 0.00 -3.29 -0.08 0.00 0.00 0.00 0.00 23.12 19.75 3fgg s ALA 131 CO 0.00 -0.05 0.70 0.42 0.00 0.00 0.00 175.76 176.83 3fgg s ILE 132 N -0.06 4.55 -0.33 0.00 1.01 -1.26 -5.03 121.20 120.09 3fgg s ILE 132 Ca 0.47 1.39 -0.12 0.00 0.00 0.00 0.00 60.65 62.39 3fgg s ILE 132 Cb -0.24 -3.96 -0.02 0.00 0.01 0.00 0.00 42.46 38.24 3fgg s ILE 132 CO 0.31 0.40 0.23 -0.54 0.00 0.00 0.00 174.94 175.33 3fgg s LYS 133 N -1.49 3.59 0.43 2.79 -0.14 -1.26 -4.96 119.74 118.69 3fgg s LYS 133 Ca 0.37 -0.58 0.24 0.00 -1.36 0.00 0.00 55.97 54.65 3fgg s LYS 133 Cb -0.19 -3.76 1.26 0.00 -1.68 0.00 0.00 37.83 33.45 3fgg s LYS 133 CO 0.22 -0.39 1.74 0.28 -0.76 0.00 0.00 175.35 176.44 3fgg h VAL 134 N 5.47 0.40 -0.20 3.17 2.07 -1.98 0.19 116.25 125.38 3fgg h VAL 134 Ca -0.32 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 3fgg h VAL 134 Cb 1.16 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 3fgg h VAL 134 CO 0.61 0.05 0.01 -0.33 0.02 0.00 0.00 177.57 177.93 3fgg h GLU 135 N 0.25 0.28 -0.01 1.57 5.08 -2.03 -3.02 114.58 116.70 3fgg h GLU 135 Ca 0.65 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.97 3fgg h GLU 135 Cb 1.91 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.11 3fgg h GLU 135 CO -0.28 0.30 0.00 -1.91 -1.00 0.00 0.00 179.01 176.12 3fgg n GLU 136 N -4.38 1.31 -2.92 2.33 2.13 0.67 -4.87 120.64 114.91 3fgg n GLU 136 Ca -0.00 -0.45 -0.41 0.00 0.66 0.00 0.00 57.16 56.96 3fgg n GLU 136 Cb 0.17 -1.48 -0.04 0.00 0.27 0.00 0.00 31.44 30.36 3fgg n GLU 136 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3fgg s VAL 137 N -2.00 4.95 0.59 6.31 1.01 -1.15 -4.81 120.40 125.31 3fgg s VAL 137 Ca 0.43 1.64 -0.18 0.00 0.00 0.00 0.00 61.98 63.87 3fgg s VAL 137 Cb 0.21 -4.13 -0.07 0.00 0.00 0.00 0.00 36.38 32.38 3fgg s VAL 137 CO 0.35 0.14 0.60 -0.81 0.00 0.00 0.00 175.10 175.38 3fgg n PRO 138 N 4.39 0.55 -0.36 2.72 -0.04 -1.26 -4.63 135.00 136.38 3fgg n PRO 138 Ca 0.02 0.22 0.04 0.00 -0.04 0.00 0.00 63.50 63.74 3fgg n PRO 138 Cb 0.50 -1.80 0.19 0.00 -0.04 0.00 0.00 33.50 32.36 3fgg n PRO 138 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3fgg h GLU 139 N 0.21 1.04 -0.04 0.54 4.57 -1.96 -0.91 114.58 118.03 3fgg h GLU 139 Ca -0.46 -0.06 0.01 0.00 -1.18 0.00 0.00 59.36 57.67 3fgg h GLU 139 Cb 1.39 -0.23 -0.00 0.00 -0.16 0.00 0.00 28.75 29.74 3fgg h GLU 139 CO 0.47 0.69 0.15 0.00 -1.18 0.00 0.00 179.01 179.14 3fgg h ALA 140 N 1.48 1.31 0.00 2.92 0.00 -2.04 -2.97 119.26 119.96 3fgg h ALA 140 Ca 0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 3fgg h ALA 140 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3fgg h ALA 140 CO -0.21 -0.17 -0.13 0.66 0.00 0.00 0.00 179.25 179.40 3fgg n TYR 141 N -3.21 0.00 0.18 0.00 4.01 -0.38 -4.79 117.16 112.97 3fgg n TYR 141 Ca -0.02 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.55 3fgg n TYR 141 Cb 0.23 -0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.15 3fgg n TYR 141 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3fgg h LYS 142 N 0.00 -0.83 -0.20 -0.72 1.57 -1.30 0.24 116.57 115.33 3fgg h LYS 142 Ca 0.00 0.06 0.04 0.00 -1.87 0.00 0.00 60.65 58.88 3fgg h LYS 142 Cb 0.05 0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.50 3fgg h LYS 142 CO 0.00 -0.55 -0.08 1.49 -0.57 0.00 0.00 179.45 179.74 3fgg h GLU 143 N -0.86 -0.04 -0.63 3.15 4.81 -1.87 -2.75 114.58 116.38 3fgg h GLU 143 Ca -0.03 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3fgg h GLU 143 Cb 0.81 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.17 3fgg h GLU 143 CO -0.20 -0.03 0.41 -0.09 -0.73 0.00 0.00 179.01 178.37 3fgg h ARG 144 N -0.05 0.80 -0.07 1.92 2.43 -1.82 -1.54 114.38 116.05 3fgg h ARG 144 Ca 0.11 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3fgg h ARG 144 Cb 0.20 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 3fgg h ARG 144 CO -0.23 0.53 0.00 0.34 -1.51 0.00 0.00 179.97 179.10 3fgg n PHE 145 N -4.67 0.00 0.00 2.20 7.35 0.84 -1.53 117.46 121.65 3fgg n PHE 145 Ca 0.05 -0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.74 3fgg n PHE 145 Cb 0.04 -0.01 0.00 0.00 0.35 0.00 0.00 39.48 39.86 3fgg n PHE 145 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 3fgg n LYS 147 N 0.49 0.00 -0.14 -4.13 5.02 -0.58 -0.73 118.16 118.08 3fgg n LYS 147 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 3fgg n LYS 147 Cb 0.01 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.01 3fgg n LYS 147 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3fgg h ALA 148 N 0.00 0.64 -0.69 7.82 0.00 -1.54 -1.18 119.26 124.31 3fgg h ALA 148 Ca 0.00 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.50 3fgg h ALA 148 Cb 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3fgg h ALA 148 CO 0.00 0.68 0.46 0.93 0.00 0.00 0.00 179.25 181.31 3fgg h GLU 149 N 0.83 0.91 -0.45 0.00 4.39 -1.20 -2.67 114.58 116.38 3fgg h GLU 149 Ca 0.09 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.67 3fgg h GLU 149 Cb 0.87 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 29.30 3fgg h GLU 149 CO 0.08 0.61 0.04 0.37 -1.16 0.00 0.00 179.01 178.95 3fgg h GLN 150 N 0.94 0.76 -1.78 2.33 4.15 -1.77 -1.75 115.11 117.99 3fgg h GLN 150 Ca 0.25 -0.22 0.00 0.00 0.77 0.00 0.00 58.65 59.45 3fgg h GLN 150 Cb -0.10 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.51 3fgg h GLN 150 CO -0.05 0.80 0.00 0.34 -1.93 0.00 0.00 178.83 177.99 3fgg n PHE 151 N -4.43 0.00 0.00 3.99 7.35 -0.46 -1.46 117.46 122.44 3fgg n PHE 151 Ca 0.00 -0.19 0.00 0.00 -0.76 0.00 0.00 57.45 56.50 3fgg n PHE 151 Cb 0.27 -0.19 0.00 0.00 0.35 0.00 0.00 39.48 39.91 3fgg n PHE 151 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 3fgg n GLU 153 N 1.11 0.00 -0.28 -4.13 -0.58 -0.66 -1.38 120.64 114.73 3fgg n GLU 153 Ca 0.00 0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.69 3fgg n GLU 153 Cb 0.15 0.00 0.06 0.00 -0.57 0.00 0.00 31.44 31.08 3fgg n GLU 153 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 3fgg h TYR 154 N 0.00 0.97 -0.56 -0.32 3.20 -1.52 -1.66 116.97 117.07 3fgg h TYR 154 Ca 0.00 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.83 3fgg h TYR 154 Cb 0.00 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 37.92 3fgg h TYR 154 CO 0.00 0.63 0.15 0.28 -1.64 0.00 0.00 178.16 177.57 3fgg h VAL 155 N 1.03 1.24 -0.53 1.81 2.07 -1.50 -2.55 116.25 117.82 3fgg h VAL 155 Ca 0.28 -0.86 0.01 0.00 0.82 0.00 0.00 66.70 66.95 3fgg h VAL 155 Cb -0.09 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 3fgg h VAL 155 CO -0.06 0.32 0.34 -0.78 0.02 0.00 0.00 177.57 177.41 3fgg h ASP 156 N 0.79 0.58 -0.03 0.57 3.58 -1.72 -1.36 116.42 118.83 3fgg h ASP 156 Ca 0.18 -0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.58 3fgg h ASP 156 Cb 0.33 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.23 3fgg h ASP 156 CO -0.00 0.41 -0.06 1.05 -2.88 0.00 0.00 179.24 177.76 3fgg h GLU 157 N 0.69 0.23 0.00 0.28 4.11 -1.21 -2.13 114.58 116.54 3fgg h GLU 157 Ca 0.20 -0.04 -0.09 0.00 0.07 0.00 0.00 59.36 59.50 3fgg h GLU 157 Cb -0.05 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3fgg h GLU 157 CO -0.06 0.31 -0.42 0.87 0.07 0.00 0.00 179.01 179.78 3fgg h LYS 158 N 0.22 0.00 -0.19 1.06 1.57 -0.85 -2.97 116.57 115.41 3fgg h LYS 158 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3fgg h LYS 158 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 3fgg h LYS 158 CO 0.01 0.42 0.00 1.33 -0.57 0.00 0.00 179.45 180.64 3fgg n VAL 159 N -4.01 0.24 0.00 0.50 0.24 -0.79 -4.99 118.33 109.53 3fgg n VAL 159 Ca -0.02 -0.45 0.00 0.00 -2.04 0.00 0.00 64.34 61.84 3fgg n VAL 159 Cb 0.45 0.62 0.00 0.00 -1.47 0.00 0.00 33.84 33.44 3fgg n VAL 159 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23