#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpr s ILE 2 N 0.00 5.05 0.15 4.25 -1.09 0.10 -1.06 121.20 128.61 2jpr s ILE 2 Ca 0.00 0.96 0.08 0.00 -2.23 0.00 0.00 60.65 59.46 2jpr s ILE 2 Cb 0.00 -3.80 -0.04 0.00 -1.58 0.00 0.00 42.46 37.04 2jpr s ILE 2 CO 0.00 0.45 -0.17 0.68 -1.23 0.00 0.00 174.94 174.67 2jpr s VAL 3 N -0.26 1.69 -0.30 2.92 -7.23 -0.30 -4.53 120.40 112.39 2jpr s VAL 3 Ca 0.26 -1.86 -0.09 0.00 -1.81 0.00 0.00 61.98 58.48 2jpr s VAL 3 Cb -0.16 -1.76 -0.01 0.00 0.56 0.00 0.00 36.38 35.00 2jpr s VAL 3 CO 0.13 -0.33 0.13 -1.58 -0.31 0.00 0.00 175.10 173.14 2jpr s GLN 4 N -2.74 3.42 1.04 4.82 0.74 -1.26 -0.62 119.66 125.06 2jpr s GLN 4 Ca 0.14 -0.65 -0.17 0.00 0.05 0.00 0.00 55.36 54.72 2jpr s GLN 4 Cb -0.06 -3.51 0.23 0.00 1.10 0.00 0.00 33.01 30.77 2jpr s GLN 4 CO 0.06 -0.36 1.25 0.54 -0.55 0.00 0.00 175.29 176.23 2jpr s ASN 5 N 1.62 2.41 0.53 6.67 2.20 -0.36 -4.90 114.94 123.11 2jpr s ASN 5 Ca 0.05 0.40 0.24 0.00 -0.94 0.00 0.00 52.86 52.62 2jpr s ASN 5 Cb -0.17 -0.52 1.46 0.00 -2.00 0.00 0.00 41.25 40.03 2jpr s ASN 5 CO 0.06 -3.18 2.12 0.25 -2.94 0.00 0.00 177.10 173.41 2jpr h LEU 6 N -1.94 0.00 -0.42 3.54 5.85 -1.99 -1.01 115.31 119.33 2jpr h LEU 6 Ca -0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.27 2jpr h LEU 6 Cb 1.26 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.29 2jpr h LEU 6 CO 0.37 0.08 -0.06 0.00 -0.34 0.00 0.00 178.44 178.49 2jpr n GLN 7 N -3.94 1.07 -0.70 1.25 3.00 -1.26 -4.93 117.38 111.87 2jpr n GLN 7 Ca -0.02 -0.42 0.00 0.00 -0.01 0.00 0.00 57.00 56.54 2jpr n GLN 7 Cb 0.17 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 28.92 2jpr n GLN 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2jpr n GLY 8 N 1.19 0.79 3.71 1.08 0.00 -0.38 -5.04 105.19 106.53 2jpr n GLY 8 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2jpr n GLY 8 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jpr s GLN 9 N -0.30 4.25 -0.08 1.61 2.00 -1.26 -4.76 119.66 121.13 2jpr s GLN 9 Ca 0.00 2.21 -0.30 0.00 -2.00 0.00 0.00 55.36 55.28 2jpr s GLN 9 Cb 0.00 -3.34 -0.02 0.00 0.80 0.00 0.00 33.01 30.44 2jpr s GLN 9 CO 0.00 -0.58 1.10 -1.64 -0.50 0.00 0.00 175.29 173.67 2jpr s MET 10 N 1.65 4.40 -0.12 1.67 -1.94 -1.26 -1.23 119.30 122.47 2jpr s MET 10 Ca 0.68 1.53 0.01 0.00 -1.71 0.00 0.00 55.69 56.20 2jpr s MET 10 Cb -0.39 -3.54 0.02 0.00 2.01 0.00 0.00 34.83 32.93 2jpr s MET 10 CO 0.31 -0.36 -0.13 0.08 -0.01 0.00 0.00 175.02 174.90 2jpr s VAL 11 N 2.05 1.41 0.24 -6.03 1.01 0.20 -4.97 120.40 114.32 2jpr s VAL 11 Ca 0.52 -0.57 -0.30 0.00 0.00 0.00 0.00 61.98 61.63 2jpr s VAL 11 Cb -0.21 -1.32 -0.09 0.00 0.00 0.00 0.00 36.38 34.75 2jpr s VAL 11 CO 0.20 0.43 0.98 -2.28 0.00 0.00 0.00 175.10 174.43 2jpr s HIS 12 N 1.21 3.88 -0.00 5.22 2.46 -1.26 -1.15 115.29 125.65 2jpr s HIS 12 Ca -0.02 1.86 0.03 0.00 0.47 0.00 0.00 55.06 57.39 2jpr s HIS 12 Cb -0.14 -3.06 -0.01 0.00 -0.13 0.00 0.00 32.58 29.24 2jpr s HIS 12 CO -0.05 0.19 -0.10 -0.65 -2.47 0.00 0.00 174.74 171.66 2jpr s GLN 13 N -1.17 0.77 0.71 2.88 -0.21 -0.22 -4.99 119.66 117.43 2jpr s GLN 13 Ca 0.42 -0.40 -0.16 0.00 0.02 0.00 0.00 55.36 55.24 2jpr s GLN 13 Cb -0.27 -0.74 0.02 0.00 1.00 0.00 0.00 33.01 33.02 2jpr s GLN 13 CO 0.34 0.20 1.20 0.00 -2.12 0.00 0.00 175.29 174.91 2jpr n ALA 14 N 2.69 0.53 -1.70 6.09 0.00 -1.26 -0.08 120.51 126.76 2jpr n ALA 14 Ca -0.14 -0.13 -0.43 0.00 0.00 0.00 0.00 53.44 52.73 2jpr n ALA 14 Cb 0.56 -2.26 -0.02 0.00 0.00 0.00 0.00 19.45 17.74 2jpr n ALA 14 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 2jpr n ILE 15 N -2.44 1.37 -2.10 0.00 3.06 -1.26 -4.49 119.36 113.50 2jpr n ILE 15 Ca 0.15 -0.34 -0.42 0.00 -2.50 0.00 0.00 62.75 59.63 2jpr n ILE 15 Cb 0.49 -1.65 -0.03 0.00 0.54 0.00 0.00 39.64 38.98 2jpr n ILE 15 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 2jpr s SER 16 N 0.12 6.75 0.42 9.51 0.15 -1.26 -4.93 113.70 124.46 2jpr s SER 16 Ca 0.62 2.41 0.17 0.00 0.70 0.00 0.00 55.95 59.85 2jpr s SER 16 Cb -0.58 -2.59 1.07 0.00 -1.71 0.00 0.00 66.02 62.21 2jpr s SER 16 CO 0.54 -0.70 1.88 -0.65 1.20 0.00 0.00 173.24 175.51 2jpr h PRO 17 N 6.81 0.40 -0.50 5.44 0.11 -2.00 -1.71 132.00 140.56 2jpr h PRO 17 Ca -0.42 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.57 2jpr h PRO 17 Cb 1.21 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 2jpr h PRO 17 CO 0.88 0.27 -0.07 0.00 -0.21 0.00 0.00 178.00 178.87 2jpr h ARG 18 N 0.41 0.88 -0.53 1.05 3.08 -1.99 -0.18 114.38 117.11 2jpr h ARG 18 Ca 0.43 -0.29 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 2jpr h ARG 18 Cb 1.04 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.99 2jpr h ARG 18 CO -0.15 0.92 0.32 1.15 -1.07 0.00 0.00 179.97 181.14 2jpr h THR 19 N 0.80 1.16 -0.44 2.04 2.02 -1.72 -0.30 112.91 116.47 2jpr h THR 19 Ca 0.14 -0.37 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 2jpr h THR 19 Cb 0.58 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 2jpr h THR 19 CO 0.04 0.17 0.17 -0.07 0.37 0.00 0.00 175.52 176.19 2jpr h LEU 20 N 0.72 0.61 -0.31 2.58 3.38 -1.18 -0.46 115.31 120.66 2jpr h LEU 20 Ca 0.19 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 58.00 2jpr h LEU 20 Cb -0.01 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2jpr h LEU 20 CO -0.04 0.62 0.17 0.78 0.09 0.00 0.00 178.44 180.07 2jpr h ASN 21 N 0.56 0.28 -0.47 -0.43 2.35 -0.85 -0.84 115.58 116.18 2jpr h ASN 21 Ca 0.14 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.90 2jpr h ASN 21 Cb 0.21 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 2jpr h ASN 21 CO -0.01 0.20 0.27 0.00 -1.65 0.00 0.00 177.43 176.24 2jpr h ALA 22 N 1.14 0.60 -0.25 -0.83 0.00 -0.95 -1.60 119.26 117.37 2jpr h ALA 22 Ca 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2jpr h ALA 22 Cb 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2jpr h ALA 22 CO -0.07 0.10 0.17 2.35 0.00 0.00 0.00 179.25 181.80 2jpr h TRP 23 N 0.62 0.32 0.19 0.00 -0.00 -0.82 0.56 115.95 116.83 2jpr h TRP 23 Ca 0.17 0.01 0.01 0.00 -0.00 0.00 0.00 58.89 59.07 2jpr h TRP 23 Cb 0.02 -0.11 -0.02 0.00 -0.00 0.00 0.00 29.16 29.05 2jpr h TRP 23 CO -0.03 0.21 -0.23 0.28 -0.00 0.00 0.00 178.44 178.67 2jpr h VAL 24 N 0.34 0.49 -0.75 2.65 2.07 -1.07 -1.60 116.25 118.38 2jpr h VAL 24 Ca 0.09 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.62 2jpr h VAL 24 Cb -0.03 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.19 2jpr h VAL 24 CO -0.02 0.00 0.50 0.11 0.02 0.00 0.00 177.57 178.18 2jpr h LYS 25 N -0.48 0.97 0.08 1.57 1.57 -1.12 -0.51 116.57 118.65 2jpr h LYS 25 Ca 0.01 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2jpr h LYS 25 Cb 0.46 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 2jpr h LYS 25 CO -0.08 0.64 -0.13 0.28 -0.57 0.00 0.00 179.45 179.59 2jpr h VAL 26 N 1.00 0.71 -0.43 0.50 2.07 -0.71 -3.03 116.25 116.36 2jpr h VAL 26 Ca 0.28 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.74 2jpr h VAL 26 Cb -0.09 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 2jpr h VAL 26 CO -0.06 0.00 0.01 0.58 0.02 0.00 0.00 177.57 178.12 2jpr h VAL 27 N -0.26 1.22 -0.05 2.57 2.07 -0.50 -1.13 116.25 120.18 2jpr h VAL 27 Ca 0.02 -0.90 0.01 0.00 0.82 0.00 0.00 66.70 66.65 2jpr h VAL 27 Cb 0.27 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 2jpr h VAL 27 CO -0.07 0.32 0.08 -0.33 0.02 0.00 0.00 177.57 177.59 2jpr h GLU 28 N 0.65 0.00 0.00 1.57 5.08 -1.00 -2.01 114.58 118.87 2jpr h GLU 28 Ca 0.13 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.37 2jpr h GLU 28 Cb 0.39 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2jpr h GLU 28 CO 0.01 0.00 -1.72 0.39 -1.00 0.00 0.00 179.01 176.69 2jpr n GLU 29 N -3.54 1.29 -0.24 2.33 -0.58 -0.87 -4.82 120.64 114.21 2jpr n GLU 29 Ca -0.02 -0.06 0.01 0.00 -0.42 0.00 0.00 57.16 56.68 2jpr n GLU 29 Cb 0.17 -1.31 0.02 0.00 -0.57 0.00 0.00 31.44 29.74 2jpr n GLU 29 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2jpr n LYS 30 N -2.22 0.40 -0.39 3.49 4.76 -0.48 -4.94 118.16 118.77 2jpr n LYS 30 Ca -0.12 -1.04 0.31 0.00 -2.87 0.00 0.00 58.31 54.59 2jpr n LYS 30 Cb 0.64 -0.65 0.58 0.00 -1.84 0.00 0.00 35.03 33.76 2jpr n LYS 30 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2jpr h ALA 31 N 0.00 2.40 -0.08 7.82 0.00 -1.55 -2.18 119.26 125.67 2jpr h ALA 31 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2jpr h ALA 31 Cb 1.14 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2jpr h ALA 31 CO 0.00 -1.02 0.00 1.19 0.00 0.00 0.00 179.25 179.42 2jpr n PHE 32 N -4.84 0.17 -4.27 0.00 3.72 -1.26 -4.83 117.46 106.15 2jpr n PHE 32 Ca 0.34 -0.71 -0.28 0.00 -0.05 0.00 0.00 57.45 56.76 2jpr n PHE 32 Cb 1.23 -0.11 -0.09 0.00 -0.94 0.00 0.00 39.48 39.56 2jpr n PHE 32 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2jpr s SER 33 N -1.73 4.30 0.50 4.37 1.04 -0.82 -4.58 113.70 116.78 2jpr s SER 33 Ca 0.19 -0.52 0.24 0.00 0.48 0.00 0.00 55.95 56.34 2jpr s SER 33 Cb 0.15 -0.76 1.32 0.00 0.10 0.00 0.00 66.02 66.83 2jpr s SER 33 CO 0.04 0.13 1.95 -0.65 0.98 0.00 0.00 173.24 175.69 2jpr h PRO 34 N 3.13 0.11 0.00 4.02 0.11 -1.93 -2.52 132.00 134.92 2jpr h PRO 34 Ca -0.48 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 2jpr h PRO 34 Cb 1.19 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 2jpr h PRO 34 CO 0.53 0.07 -0.01 0.93 -0.21 0.00 0.00 178.00 179.31 2jpr h GLU 35 N 0.11 0.00 -0.50 1.05 3.07 -1.96 -2.76 114.58 113.59 2jpr h GLU 35 Ca 0.32 0.00 0.09 0.00 -0.50 0.00 0.00 59.36 59.27 2jpr h GLU 35 Cb 1.11 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.99 2jpr h GLU 35 CO -0.04 0.01 0.34 -0.24 -1.40 0.00 0.00 179.01 177.68 2jpr h VAL 36 N 0.00 0.88 0.35 3.13 3.04 -1.64 -2.06 116.25 119.95 2jpr h VAL 36 Ca -0.00 -0.09 -0.02 0.00 -1.01 0.00 0.00 66.70 65.58 2jpr h VAL 36 Cb 0.09 0.59 0.00 0.00 -2.01 0.00 0.00 31.29 29.97 2jpr h VAL 36 CO 0.00 0.05 -0.17 0.40 -1.01 0.00 0.00 177.57 176.84 2jpr h ILE 37 N 0.26 0.41 0.00 3.17 2.04 -1.74 -0.13 117.51 121.52 2jpr h ILE 37 Ca 0.23 -0.72 -0.05 0.00 1.00 0.00 0.00 64.86 65.32 2jpr h ILE 37 Cb 0.56 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 2jpr h ILE 37 CO -0.05 0.09 -0.23 1.55 0.00 0.00 0.00 178.15 179.51 2jpr h PRO 38 N -0.99 0.00 -0.42 2.37 0.13 -1.74 -1.34 132.00 130.01 2jpr h PRO 38 Ca -0.05 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.93 2jpr h PRO 38 Cb 0.51 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.63 2jpr h PRO 38 CO 0.08 0.23 -0.31 0.52 -0.23 0.00 0.00 178.00 178.28 2jpr h MET 39 N 0.00 0.95 -0.42 0.86 2.86 -1.41 -0.06 114.93 117.71 2jpr h MET 39 Ca -0.00 -0.46 0.04 0.00 -2.06 0.00 0.00 59.70 57.22 2jpr h MET 39 Cb 0.42 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.03 2jpr h MET 39 CO 0.03 1.13 0.18 0.35 1.06 0.00 0.00 176.91 179.66 2jpr h PHE 40 N 0.78 0.33 -0.53 -0.22 3.57 -0.63 -1.95 116.94 118.29 2jpr h PHE 40 Ca 0.08 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 2jpr h PHE 40 Cb 0.90 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.53 2jpr h PHE 40 CO 0.06 0.15 0.31 0.77 -2.23 0.00 0.00 178.31 177.37 2jpr h SER 41 N 0.37 0.64 -0.14 0.41 0.02 -1.14 -2.59 113.55 111.12 2jpr h SER 41 Ca 0.19 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 2jpr h SER 41 Cb 0.14 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 2jpr h SER 41 CO -0.16 0.52 0.08 0.00 -1.14 0.00 0.00 176.83 176.12 2jpr h ALA 42 N 1.15 1.84 -0.30 3.77 0.00 -0.76 -2.61 119.26 122.33 2jpr h ALA 42 Ca 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2jpr h ALA 42 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2jpr h ALA 42 CO -0.03 0.14 0.00 1.28 0.00 0.00 0.00 179.25 180.64 2jpr n LEU 43 N -4.48 2.77 -0.60 0.00 4.77 -0.76 -4.39 117.00 114.31 2jpr n LEU 43 Ca -0.01 -1.18 0.04 0.00 -0.03 0.00 0.00 56.01 54.83 2jpr n LEU 43 Cb 0.10 -0.19 0.06 0.00 -2.33 0.00 0.00 43.42 41.05 2jpr n LEU 43 CO 0.35 0.59 0.30 -1.54 -1.33 0.00 0.00 177.39 175.76 2jpr n SER 44 N 1.05 0.90 -4.69 -1.43 3.41 -0.99 -5.00 113.62 106.87 2jpr n SER 44 Ca 0.18 -2.43 -0.50 0.00 -0.26 0.00 0.00 58.87 55.85 2jpr n SER 44 Cb 0.50 -0.30 -0.05 0.00 -0.26 0.00 0.00 64.21 64.09 2jpr n SER 44 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2jpr n GLU 45 N -0.35 1.94 -1.06 4.33 -0.58 -1.20 -1.82 120.64 121.89 2jpr n GLU 45 Ca 0.07 0.71 -0.02 0.00 -0.42 0.00 0.00 57.16 57.49 2jpr n GLU 45 Cb 0.77 -2.52 -0.01 0.00 -0.57 0.00 0.00 31.44 29.12 2jpr n GLU 45 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jpr n GLY 46 N 4.33 0.38 3.72 0.62 0.00 -1.26 -4.77 105.19 108.21 2jpr n GLY 46 Ca 0.23 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2jpr n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jpr s ALA 47 N -1.55 3.83 0.71 4.61 0.00 -0.76 -0.72 121.76 127.88 2jpr s ALA 47 Ca 0.00 1.47 -0.11 0.00 0.00 0.00 0.00 51.96 53.32 2jpr s ALA 47 Cb 0.00 -3.65 0.02 0.00 0.00 0.00 0.00 23.12 19.49 2jpr s ALA 47 CO 0.00 -0.85 1.07 0.95 0.00 0.00 0.00 175.76 176.93 2jpr s THR 48 N 0.97 3.81 0.41 0.00 -4.23 -1.26 -4.41 115.64 110.93 2jpr s THR 48 Ca 0.70 0.61 0.20 0.00 -1.18 0.00 0.00 61.69 62.02 2jpr s THR 48 Cb -0.46 -3.26 0.40 0.00 1.34 0.00 0.00 72.50 70.52 2jpr s THR 48 CO 0.34 -0.75 1.79 -0.65 -0.54 0.00 0.00 174.62 174.81 2jpr h PRO 49 N -0.74 0.35 -0.55 3.99 0.11 -1.86 -1.29 132.00 132.01 2jpr h PRO 49 Ca -0.44 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.54 2jpr h PRO 49 Cb 1.22 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 2jpr h PRO 49 CO 0.55 0.23 -0.07 0.37 -0.21 0.00 0.00 178.00 178.88 2jpr h GLN 50 N 0.36 1.02 -0.47 1.05 4.15 -1.90 -1.01 115.11 118.31 2jpr h GLN 50 Ca 0.56 -0.36 0.00 0.00 0.77 0.00 0.00 58.65 59.63 2jpr h GLN 50 Cb 1.50 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 29.09 2jpr h GLN 50 CO -0.25 1.04 0.30 -0.44 -1.93 0.00 0.00 178.83 177.56 2jpr h ASP 51 N 0.90 0.54 -0.45 -0.69 3.32 -1.64 -1.51 116.42 116.89 2jpr h ASP 51 Ca 0.15 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 2jpr h ASP 51 Cb 0.63 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 2jpr h ASP 51 CO 0.04 0.40 0.16 -0.07 -1.72 0.00 0.00 179.24 178.06 2jpr h LEU 52 N 0.63 0.63 -0.87 1.55 3.38 -1.18 -0.58 115.31 118.87 2jpr h LEU 52 Ca 0.17 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.98 2jpr h LEU 52 Cb -0.06 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.48 2jpr h LEU 52 CO -0.04 0.65 0.57 0.78 0.09 0.00 0.00 178.44 180.49 2jpr h ASN 53 N 0.58 0.96 -0.48 -0.43 2.35 -1.12 -1.47 115.58 115.98 2jpr h ASN 53 Ca 0.15 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 2jpr h ASN 53 Cb 0.22 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 2jpr h ASN 53 CO -0.01 0.68 0.31 0.74 -1.65 0.00 0.00 177.43 177.50 2jpr h THR 54 N 1.13 1.13 -0.23 2.81 2.02 -0.72 -0.34 112.91 118.71 2jpr h THR 54 Ca 0.34 -0.25 0.03 0.00 0.77 0.00 0.00 66.41 67.29 2jpr h THR 54 Cb -0.05 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 66.77 2jpr h THR 54 CO -0.10 0.13 0.04 0.24 0.37 0.00 0.00 175.52 176.20 2jpr h MET 55 N 0.65 0.13 -0.69 6.66 2.86 -0.75 -2.80 114.93 120.99 2jpr h MET 55 Ca 0.17 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.76 2jpr h MET 55 Cb -0.06 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.54 2jpr h MET 55 CO -0.04 0.09 0.26 -0.07 1.06 0.00 0.00 176.91 178.21 2jpr h LEU 56 N 0.13 0.94 -1.70 1.22 3.38 -1.03 -2.78 115.31 115.48 2jpr h LEU 56 Ca 0.10 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 57.97 2jpr h LEU 56 Cb 0.10 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2jpr h LEU 56 CO -0.14 0.85 0.26 0.78 0.09 0.00 0.00 178.44 180.29 2jpr h ASN 57 N 1.00 0.34 0.87 -0.43 2.35 -0.80 -2.48 115.58 116.41 2jpr h ASN 57 Ca 0.23 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 2jpr h ASN 57 Cb 0.22 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.51 2jpr h ASN 57 CO -0.02 0.23 0.00 0.35 -1.65 0.00 0.00 177.43 176.34 2jpr n THR 58 N -4.48 0.68 -0.12 2.81 -2.24 -1.05 -3.75 114.28 106.13 2jpr n THR 58 Ca 0.04 0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 2jpr n THR 58 Cb 0.17 -0.88 0.00 0.00 -2.10 0.00 0.00 70.33 67.53 2jpr n THR 58 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2jpr n VAL 59 N -1.89 0.69 0.33 2.28 0.24 -0.94 -4.83 118.33 114.20 2jpr n VAL 59 Ca 0.04 -0.79 0.03 0.00 -2.04 0.00 0.00 64.34 61.59 2jpr n VAL 59 Cb 0.27 0.68 0.17 0.00 -1.47 0.00 0.00 33.84 33.49 2jpr n VAL 59 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jpr n GLY 60 N -0.34 -0.39 0.35 7.63 0.00 -1.17 -3.88 105.19 107.38 2jpr n GLY 60 Ca 0.00 -0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.09 2jpr n GLY 60 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2jpr h GLY 61 N 1.01 0.63 -7.39 -0.02 0.00 -1.90 -3.19 103.07 92.21 2jpr h GLY 61 Ca 0.00 -0.19 -0.74 0.00 0.00 0.00 0.00 47.33 46.40 2jpr h GLY 61 CO 0.00 0.13 1.66 1.57 0.00 0.00 0.00 176.54 179.90 2jpr n HIS 62 N -4.47 4.44 -0.29 5.60 -0.00 -1.25 -4.89 115.22 114.36 2jpr n HIS 62 Ca 0.09 -3.16 0.22 0.00 -0.00 0.00 0.00 57.72 54.86 2jpr n HIS 62 Cb 0.31 -2.19 0.52 0.00 -0.00 0.00 0.00 29.99 28.63 2jpr n HIS 62 CO 0.00 0.00 0.00 -0.56 -0.00 0.00 0.00 176.34 175.78 2jpr h GLN 63 N 6.82 0.37 -0.33 1.57 -0.00 -1.90 -1.94 115.11 119.69 2jpr h GLN 63 Ca 0.36 -0.02 -0.14 0.00 -0.00 0.00 0.00 58.65 58.84 2jpr h GLN 63 Cb 0.81 -0.08 -0.00 0.00 -0.00 0.00 0.00 27.48 28.20 2jpr h GLN 63 CO 1.38 0.24 -0.35 0.00 -0.00 0.00 0.00 178.83 180.09 2jpr h ALA 64 N 1.60 0.49 -0.39 0.06 0.00 -1.91 0.73 119.26 119.84 2jpr h ALA 64 Ca 0.53 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 2jpr h ALA 64 Cb 1.40 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 2jpr h ALA 64 CO -0.22 0.56 -0.01 0.00 0.00 0.00 0.00 179.25 179.58 2jpr h ALA 65 N 0.73 0.53 -0.80 0.00 0.00 -1.86 -2.34 119.26 115.52 2jpr h ALA 65 Ca 0.05 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 2jpr h ALA 65 Cb 0.94 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 2jpr h ALA 65 CO 0.09 0.32 0.33 1.98 0.00 0.00 0.00 179.25 181.97 2jpr h MET 66 N 0.52 1.19 -0.14 0.00 1.85 -1.28 -1.45 114.93 115.62 2jpr h MET 66 Ca 0.11 -0.21 0.03 0.00 -0.61 0.00 0.00 59.70 59.02 2jpr h MET 66 Cb 0.49 -0.20 -0.03 0.00 0.43 0.00 0.00 31.60 32.30 2jpr h MET 66 CO 0.02 0.95 -0.04 0.37 -0.40 0.00 0.00 176.91 177.81 2jpr h GLN 67 N 1.16 -0.01 -0.58 0.39 4.15 -0.80 0.18 115.11 119.60 2jpr h GLN 67 Ca 0.27 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.76 2jpr h GLN 67 Cb 0.20 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.83 2jpr h GLN 67 CO -0.02 -0.01 0.27 1.98 -1.93 0.00 0.00 178.83 179.11 2jpr h MET 68 N -0.01 0.48 -0.11 1.69 4.05 -1.19 -0.37 114.93 119.47 2jpr h MET 68 Ca 0.07 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.46 2jpr h MET 68 Cb 0.12 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 30.81 2jpr h MET 68 CO -0.16 0.32 0.06 1.25 0.23 0.00 0.00 176.91 178.61 2jpr h LEU 69 N 0.50 0.15 -0.92 3.39 5.85 -0.93 -1.90 115.31 121.44 2jpr h LEU 69 Ca 0.27 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.84 2jpr h LEU 69 Cb 0.24 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 2jpr h LEU 69 CO -0.22 0.21 0.19 0.11 -0.34 0.00 0.00 178.44 178.38 2jpr h LYS 70 N 0.07 0.97 -0.45 1.25 1.79 -0.70 -0.46 116.57 119.05 2jpr h LYS 70 Ca 0.04 -0.20 0.00 0.00 -2.18 0.00 0.00 60.65 58.32 2jpr h LYS 70 Cb 0.10 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 30.58 2jpr h LYS 70 CO -0.01 0.84 0.29 0.93 -1.08 0.00 0.00 179.45 180.43 2jpr h GLU 71 N 0.94 0.59 -0.65 3.15 5.08 -1.01 -0.76 114.58 121.93 2jpr h GLU 71 Ca 0.21 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 2jpr h GLU 71 Cb 0.29 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 2jpr h GLU 71 CO -0.01 0.40 0.30 1.15 -1.00 0.00 0.00 179.01 179.85 2jpr h THR 72 N 0.61 1.23 -0.44 1.13 2.02 -0.85 -0.69 112.91 115.92 2jpr h THR 72 Ca 0.16 -0.66 0.02 0.00 0.77 0.00 0.00 66.41 66.71 2jpr h THR 72 Cb -0.06 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 66.78 2jpr h THR 72 CO -0.03 0.27 0.26 0.40 0.37 0.00 0.00 175.52 176.78 2jpr h ILE 73 N 0.90 1.04 -0.71 3.11 2.04 -0.90 -1.16 117.51 121.83 2jpr h ILE 73 Ca 0.22 -0.18 -0.06 0.00 1.00 0.00 0.00 64.86 65.84 2jpr h ILE 73 Cb 0.14 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 2jpr h ILE 73 CO -0.03 0.09 0.20 0.78 0.00 0.00 0.00 178.15 179.20 2jpr h ASN 74 N 0.52 1.05 -0.23 1.72 -0.26 -0.84 -0.37 115.58 117.16 2jpr h ASN 74 Ca 0.18 -0.21 0.00 0.00 -0.56 0.00 0.00 56.30 55.71 2jpr h ASN 74 Cb 0.02 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 36.99 2jpr h ASN 74 CO -0.08 0.99 0.14 -0.33 -1.06 0.00 0.00 177.43 177.09 2jpr h GLU 75 N 1.07 0.31 -0.16 0.81 5.08 -0.86 -0.96 114.58 119.86 2jpr h GLU 75 Ca 0.23 -0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 58.43 2jpr h GLU 75 Cb 0.33 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2jpr h GLU 75 CO -0.00 0.23 -0.46 0.93 -1.00 0.00 0.00 179.01 178.71 2jpr h GLU 76 N 0.29 0.41 -0.55 2.33 4.39 -1.07 -1.49 114.58 118.89 2jpr h GLU 76 Ca 0.08 -0.22 -0.08 0.00 0.34 0.00 0.00 59.36 59.49 2jpr h GLU 76 Cb -0.00 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 2jpr h GLU 76 CO -0.02 0.79 0.04 0.00 -1.16 0.00 0.00 179.01 178.66 2jpr h ALA 77 N 1.18 0.73 -0.73 3.43 0.00 -0.98 -0.31 119.26 122.58 2jpr h ALA 77 Ca 0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2jpr h ALA 77 Cb 0.94 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 2jpr h ALA 77 CO 0.08 0.52 0.39 0.00 0.00 0.00 0.00 179.25 180.24 2jpr h ALA 78 N 0.97 0.94 -0.62 0.00 0.00 -1.05 -1.55 119.26 117.96 2jpr h ALA 78 Ca 0.16 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2jpr h ALA 78 Cb 0.48 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2jpr h ALA 78 CO 0.02 0.46 0.22 1.49 0.00 0.00 0.00 179.25 181.45 2jpr h GLU 79 N 1.01 0.94 -0.25 0.00 4.57 -1.09 -1.47 114.58 118.29 2jpr h GLU 79 Ca 0.26 -0.18 0.03 0.00 -1.18 0.00 0.00 59.36 58.28 2jpr h GLU 79 Cb 0.06 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 28.47 2jpr h GLU 79 CO -0.04 0.81 0.07 2.35 -1.18 0.00 0.00 179.01 181.03 2jpr h TRP 80 N 0.87 0.13 -0.01 0.92 2.91 -0.85 -1.92 115.95 118.01 2jpr h TRP 80 Ca 0.20 0.01 -0.03 0.00 1.13 0.00 0.00 58.89 60.20 2jpr h TRP 80 Cb 0.24 -0.02 -0.01 0.00 -0.51 0.00 0.00 29.16 28.87 2jpr h TRP 80 CO 0.02 0.05 -0.16 -0.44 -1.03 0.00 0.00 178.44 176.88 2jpr h ASP 81 N 0.18 0.01 -0.34 2.65 3.32 -1.06 0.14 116.42 121.31 2jpr h ASP 81 Ca 0.11 -0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.01 2jpr h ASP 81 Cb 0.09 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 2jpr h ASP 81 CO -0.13 0.17 -0.34 -0.09 -1.72 0.00 0.00 179.24 177.13 2jpr h ARG 82 N 0.01 0.88 0.00 3.56 2.43 -0.91 -2.21 114.38 118.14 2jpr h ARG 82 Ca 0.00 -0.44 -0.16 0.00 -0.81 0.00 0.00 59.98 58.58 2jpr h ARG 82 Cb 0.29 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 2jpr h ARG 82 CO 0.02 1.08 -0.75 -0.07 -1.51 0.00 0.00 179.97 178.75 2jpr h LEU 83 N 0.73 0.00 -5.77 3.80 3.38 -0.79 -3.39 115.31 113.27 2jpr h LEU 83 Ca 0.07 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.51 2jpr h LEU 83 Cb 0.92 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.26 2jpr h LEU 83 CO 0.08 0.75 -0.99 1.41 0.09 0.00 0.00 178.44 179.79 2jpr n HIS 84 N -3.33 1.56 -1.86 1.13 8.25 0.43 -5.10 115.22 116.31 2jpr n HIS 84 Ca 0.01 -3.88 -0.42 0.00 -0.26 0.00 0.00 57.72 53.17 2jpr n HIS 84 Cb 0.82 -0.44 -0.03 0.00 1.12 0.00 0.00 29.99 31.46 2jpr n HIS 84 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2jpr s PRO 85 N -2.70 4.16 0.32 -0.41 0.04 -0.83 -4.63 135.00 130.95 2jpr s PRO 85 Ca 0.43 2.38 -0.29 0.00 0.04 0.00 0.00 61.00 63.55 2jpr s PRO 85 Cb 0.31 -4.05 -0.11 0.00 0.04 0.00 0.00 34.50 30.68 2jpr s PRO 85 CO -0.10 -0.89 1.57 0.08 0.04 0.00 0.00 177.00 177.70 2jpr s VAL 86 N 4.19 2.04 0.63 -0.36 1.01 -1.26 -5.03 120.40 121.61 2jpr s VAL 86 Ca 0.80 0.03 -0.11 0.00 0.00 0.00 0.00 61.98 62.70 2jpr s VAL 86 Cb -0.38 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 2jpr s VAL 86 CO 0.35 0.01 1.03 -1.00 0.00 0.00 0.00 175.10 175.49 2jpr s HIS 87 N -0.30 3.60 0.48 5.22 3.76 -1.26 -4.98 115.29 121.80 2jpr s HIS 87 Ca 0.61 1.26 0.41 0.00 -0.15 0.00 0.00 55.06 57.19 2jpr s HIS 87 Cb -0.48 -2.74 2.09 0.00 1.11 0.00 0.00 32.58 32.56 2jpr s HIS 87 CO 0.52 -0.73 2.24 0.00 -0.85 0.00 0.00 174.74 175.93 2jpr h ALA 88 N -0.34 1.00 -2.53 -1.40 0.00 -2.04 -3.45 119.26 110.49 2jpr h ALA 88 Ca -0.44 0.00 0.14 0.00 0.00 0.00 0.00 54.91 54.61 2jpr h ALA 88 Cb 1.20 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 2jpr h ALA 88 CO 0.62 0.00 0.49 0.20 0.00 0.00 0.00 179.25 180.56 2jpr s GLY 89 N -4.15 -0.01 1.06 0.00 0.00 -1.26 -5.18 107.32 97.78 2jpr s GLY 89 Ca -0.03 -0.20 -0.12 0.00 0.00 0.00 0.00 44.72 44.37 2jpr s GLY 89 CO 0.45 0.91 1.07 2.56 0.00 0.00 0.00 173.10 178.09 2jpr s PRO 90 N -2.74 -0.06 0.29 2.90 0.04 -1.26 -4.95 135.00 129.23 2jpr s PRO 90 Ca 0.16 0.65 -0.01 0.00 0.04 0.00 0.00 61.00 61.85 2jpr s PRO 90 Cb -0.03 -1.67 0.48 0.00 0.04 0.00 0.00 34.50 33.32 2jpr s PRO 90 CO 0.05 -3.09 1.91 0.82 0.04 0.00 0.00 177.00 176.72 2jpr h ILE 91 N -2.16 1.09 -3.21 0.56 2.04 -1.89 -3.45 117.51 110.49 2jpr h ILE 91 Ca -0.57 -0.37 -0.03 0.00 1.00 0.00 0.00 64.86 64.89 2jpr h ILE 91 Cb 1.33 -0.09 -0.11 0.00 -0.74 0.00 0.00 36.82 37.20 2jpr h ILE 91 CO 0.55 0.20 0.07 0.00 0.00 0.00 0.00 178.15 178.96 2jpr s ALA 92 N -5.95 -1.17 0.15 1.87 0.00 -1.26 -5.10 121.76 110.29 2jpr s ALA 92 Ca -0.12 0.07 -0.34 0.00 0.00 0.00 0.00 51.96 51.58 2jpr s ALA 92 Cb 0.20 0.82 -0.16 0.00 0.00 0.00 0.00 23.12 23.97 2jpr s ALA 92 CO 0.80 -0.75 1.19 -2.30 0.00 0.00 0.00 175.76 174.70 2jpr n PRO 93 N -0.32 1.10 0.00 0.00 -0.02 -1.26 -2.28 135.00 132.21 2jpr n PRO 93 Ca -0.14 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 2jpr n PRO 93 Cb 0.64 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 2jpr n PRO 93 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jpr n GLY 94 N 2.10 2.38 3.77 -1.23 0.00 -1.26 -5.05 105.19 105.90 2jpr n GLY 94 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 2jpr n GLY 94 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jpr s GLN 95 N -0.49 4.54 0.46 1.61 -1.52 -0.97 -5.05 119.66 118.23 2jpr s GLN 95 Ca 0.00 1.46 -0.23 0.00 -1.95 0.00 0.00 55.36 54.63 2jpr s GLN 95 Cb 0.00 -2.87 -0.07 0.00 -0.22 0.00 0.00 33.01 29.85 2jpr s GLN 95 CO 0.00 0.22 1.20 -1.64 -0.25 0.00 0.00 175.29 174.82 2jpr s MET 96 N -1.93 3.75 0.62 2.91 -1.94 -1.26 -4.85 119.30 116.60 2jpr s MET 96 Ca 0.50 1.88 -0.17 0.00 -1.71 0.00 0.00 55.69 56.19 2jpr s MET 96 Cb -0.22 -2.47 -0.02 0.00 2.01 0.00 0.00 34.83 34.13 2jpr s MET 96 CO 0.28 -0.59 1.14 -0.98 -0.01 0.00 0.00 175.02 174.86 2jpr s ARG 97 N -2.61 2.96 0.12 2.03 1.70 -1.26 -4.79 118.95 117.09 2jpr s ARG 97 Ca 0.63 1.56 -0.31 0.00 -0.47 0.00 0.00 55.73 57.14 2jpr s ARG 97 Cb -0.31 -1.96 -0.07 0.00 -0.57 0.00 0.00 34.95 32.04 2jpr s ARG 97 CO 0.38 -1.16 1.25 -2.00 -1.08 0.00 0.00 175.30 172.70 2jpr s GLU 98 N -3.69 4.42 0.32 3.89 2.12 -1.26 -5.01 118.70 119.49 2jpr s GLU 98 Ca 0.71 1.89 -0.29 0.00 0.36 0.00 0.00 54.97 57.64 2jpr s GLU 98 Cb -0.24 -3.28 -0.10 0.00 0.26 0.00 0.00 34.13 30.77 2jpr s GLU 98 CO 0.35 -0.26 1.23 -1.25 -0.54 0.00 0.00 175.26 174.80 2jpr s PRO 99 N 0.65 4.43 0.94 4.30 0.04 -1.26 -5.00 135.00 139.10 2jpr s PRO 99 Ca 0.58 2.06 -0.13 0.00 0.04 0.00 0.00 61.00 63.56 2jpr s PRO 99 Cb -0.33 -3.09 0.16 0.00 0.04 0.00 0.00 34.50 31.28 2jpr s PRO 99 CO 0.32 -0.07 1.15 1.03 0.04 0.00 0.00 177.00 179.47 2jpr s ARG 100 N -1.71 0.88 0.21 4.56 0.52 -1.26 -4.90 118.95 117.25 2jpr s ARG 100 Ca 0.48 0.21 -0.10 0.00 -0.52 0.00 0.00 55.73 55.80 2jpr s ARG 100 Cb -0.37 -1.82 0.22 0.00 0.52 0.00 0.00 34.95 33.51 2jpr s ARG 100 CO 0.48 -2.36 1.82 0.78 0.02 0.00 0.00 175.30 176.05 2jpr h GLY 101 N -1.61 0.98 2.00 -3.53 0.00 -1.90 -1.54 103.07 97.47 2jpr h GLY 101 Ca -0.50 -0.28 -0.05 0.00 0.00 0.00 0.00 47.33 46.50 2jpr h GLY 101 CO 0.58 0.20 -0.25 1.48 0.00 0.00 0.00 176.54 178.55 2jpr h SER 102 N 0.74 0.00 -0.16 0.19 4.64 -1.95 -0.97 113.55 116.04 2jpr h SER 102 Ca 0.29 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.42 2jpr h SER 102 Cb 0.13 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.22 2jpr h SER 102 CO -0.15 0.25 -0.63 0.44 -0.87 0.00 0.00 176.83 175.87 2jpr h ASP 103 N 0.00 0.83 -0.60 4.97 3.32 -1.77 -0.59 116.42 122.58 2jpr h ASP 103 Ca -0.00 -0.61 -0.03 0.00 0.02 0.00 0.00 57.03 56.41 2jpr h ASP 103 Cb 0.63 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 2jpr h ASP 103 CO 0.03 1.30 0.27 0.40 -1.72 0.00 0.00 179.24 179.53 2jpr h ILE 104 N 0.40 1.22 0.00 0.35 2.04 -1.10 -1.92 117.51 118.50 2jpr h ILE 104 Ca -0.03 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.19 2jpr h ILE 104 Cb 1.26 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 2jpr h ILE 104 CO 0.13 0.26 0.00 0.00 0.00 0.00 0.00 178.15 178.54 2jpr n ALA 105 N -2.35 2.14 -1.25 1.87 0.00 -0.38 -4.63 120.51 115.91 2jpr n ALA 105 Ca 0.04 -0.11 -0.08 0.00 0.00 0.00 0.00 53.44 53.28 2jpr n ALA 105 Cb 0.14 -1.30 -0.04 0.00 0.00 0.00 0.00 19.45 18.25 2jpr n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jpr n GLY 106 N 0.20 1.01 0.05 0.00 0.00 -0.72 -4.90 105.19 100.82 2jpr n GLY 106 Ca 0.13 -0.45 0.11 0.00 0.00 0.00 0.00 46.02 45.81 2jpr n GLY 106 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jpr n THR 107 N -2.66 0.23 -0.27 2.61 -2.24 -0.28 -4.51 114.28 107.16 2jpr n THR 107 Ca -0.08 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 2jpr n THR 107 Cb 0.32 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 2jpr n THR 107 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2jpr n THR 108 N -2.36 0.00 -4.00 4.28 -2.24 -1.06 -5.01 114.28 103.89 2jpr n THR 108 Ca -0.02 -0.33 -0.30 0.00 -2.27 0.00 0.00 64.05 61.12 2jpr n THR 108 Cb 0.55 1.27 -0.05 0.00 -2.10 0.00 0.00 70.33 70.00 2jpr n THR 108 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2jpr s SER 109 N -0.11 5.87 0.62 3.42 1.04 -1.26 -4.87 113.70 118.40 2jpr s SER 109 Ca 0.00 0.10 -0.09 0.00 0.48 0.00 0.00 55.95 56.43 2jpr s SER 109 Cb 0.00 -1.67 -0.01 0.00 0.10 0.00 0.00 66.02 64.44 2jpr s SER 109 CO 0.00 0.16 0.99 0.42 0.98 0.00 0.00 173.24 175.79 2jpr s THR 110 N -1.46 4.09 0.28 2.02 -4.23 -1.26 -4.90 115.64 110.18 2jpr s THR 110 Ca 0.32 0.45 -0.00 0.00 -1.18 0.00 0.00 61.69 61.27 2jpr s THR 110 Cb -0.12 -3.64 0.28 0.00 1.34 0.00 0.00 72.50 70.35 2jpr s THR 110 CO 0.25 -0.77 1.88 0.25 -0.54 0.00 0.00 174.62 175.68 2jpr h LEU 111 N -0.32 0.97 -0.88 4.79 5.85 -1.99 -1.71 115.31 122.02 2jpr h LEU 111 Ca -0.45 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.24 2jpr h LEU 111 Cb 1.23 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.04 2jpr h LEU 111 CO 0.62 0.59 0.25 -0.61 -0.34 0.00 0.00 178.44 178.95 2jpr h GLN 112 N 1.08 1.07 -0.52 1.25 5.75 -1.99 0.46 115.11 122.22 2jpr h GLN 112 Ca 0.44 -0.20 -0.05 0.00 -0.15 0.00 0.00 58.65 58.68 2jpr h GLN 112 Cb 0.27 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.63 2jpr h GLN 112 CO -0.19 0.89 0.12 0.93 -2.65 0.00 0.00 178.83 177.93 2jpr h GLU 113 N 1.04 0.84 -0.36 1.69 5.08 -1.87 -0.64 114.58 120.36 2jpr h GLU 113 Ca 0.23 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2jpr h GLU 113 Cb 0.25 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2jpr h GLU 113 CO -0.01 0.80 0.22 1.96 -1.00 0.00 0.00 179.01 180.98 2jpr h GLN 114 N 0.73 0.48 -0.40 2.33 4.20 -0.85 -0.86 115.11 120.74 2jpr h GLN 114 Ca 0.16 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.84 2jpr h GLN 114 Cb 0.35 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 2jpr h GLN 114 CO 0.00 0.35 0.25 0.82 -0.67 0.00 0.00 178.83 179.58 2jpr h ILE 115 N 0.47 1.08 -0.20 2.54 2.04 -0.89 -0.78 117.51 121.77 2jpr h ILE 115 Ca 0.13 -0.18 0.05 0.00 1.00 0.00 0.00 64.86 65.86 2jpr h ILE 115 Cb -0.02 0.52 -0.05 0.00 -0.74 0.00 0.00 36.82 36.53 2jpr h ILE 115 CO -0.03 0.09 -0.11 1.23 0.00 0.00 0.00 178.15 179.34 2jpr h GLY 116 N 0.52 0.05 0.88 5.37 0.00 -0.69 -0.47 103.07 108.73 2jpr h GLY 116 Ca 0.15 0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.62 2jpr h GLY 116 CO -0.05 -0.13 -0.00 1.49 0.00 0.00 0.00 176.54 177.85 2jpr h TRP 117 N -0.10 -0.00 0.00 5.60 6.55 -1.08 -2.15 115.95 124.77 2jpr h TRP 117 Ca 0.11 -0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.95 2jpr h TRP 117 Cb 0.26 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.56 2jpr h TRP 117 CO -0.27 0.11 0.00 0.52 -1.05 0.00 0.00 178.44 177.76 2jpr h MET 118 N -0.12 0.00 -0.26 0.49 2.86 -0.89 0.18 114.93 117.18 2jpr h MET 118 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2jpr h MET 118 Cb 0.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.78 2jpr h MET 118 CO 0.00 0.00 0.00 0.25 1.06 0.00 0.00 176.91 178.22 2jpr n THR 119 N -2.87 0.83 -0.71 2.22 -2.24 -0.21 -4.66 114.28 106.65 2jpr n THR 119 Ca 0.00 -0.92 -0.32 0.00 -2.27 0.00 0.00 64.05 60.55 2jpr n THR 119 Cb 0.25 0.62 0.16 0.00 -2.10 0.00 0.00 70.33 69.26 2jpr n THR 119 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2jpr n HIS 120 N 0.42 -0.78 -3.99 4.78 -0.00 -0.81 -4.89 115.22 109.95 2jpr n HIS 120 Ca 0.09 0.23 -0.32 0.00 -0.00 0.00 0.00 57.72 57.72 2jpr n HIS 120 Cb 0.38 -1.80 -0.14 0.00 -0.00 0.00 0.00 29.99 28.42 2jpr n HIS 120 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 2jpr s ASN 121 N -2.21 4.77 0.76 0.26 3.04 -1.26 -1.73 114.94 118.56 2jpr s ASN 121 Ca 0.61 -1.88 -0.11 0.00 0.04 0.00 0.00 52.86 51.52 2jpr s ASN 121 Cb -0.21 -1.64 0.05 0.00 -1.54 0.00 0.00 41.25 37.90 2jpr s ASN 121 CO 0.64 -0.34 1.09 -2.16 -3.04 0.00 0.00 177.10 173.29 2jpr s PRO 122 N 1.01 2.42 0.33 0.43 0.04 -1.26 -5.09 135.00 132.88 2jpr s PRO 122 Ca 0.04 0.66 -0.27 0.00 0.04 0.00 0.00 61.00 61.48 2jpr s PRO 122 Cb -0.20 -1.95 -0.13 0.00 0.04 0.00 0.00 34.50 32.26 2jpr s PRO 122 CO -0.06 -1.39 0.95 -2.30 0.04 0.00 0.00 177.00 174.23 2jpr n PRO 123 N -3.28 1.24 -3.17 0.56 -0.02 -0.71 -4.97 135.00 124.65 2jpr n PRO 123 Ca 0.07 0.44 -0.45 0.00 -2.02 0.00 0.00 63.50 61.53 2jpr n PRO 123 Cb 0.56 -1.83 -0.04 0.00 -0.02 0.00 0.00 33.50 32.17 2jpr n PRO 123 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2jpr s ILE 124 N -1.15 5.06 -0.80 4.25 1.01 0.02 -4.97 121.20 124.62 2jpr s ILE 124 Ca 0.60 -1.51 -0.06 0.00 0.00 0.00 0.00 60.65 59.69 2jpr s ILE 124 Cb -0.67 -4.50 -0.03 0.00 0.01 0.00 0.00 42.46 37.28 2jpr s ILE 124 CO 0.59 -1.11 2.91 -0.81 0.00 0.00 0.00 174.94 176.52 2jpr n PRO 125 N 5.62 3.15 -0.21 2.79 -0.04 -1.26 -3.35 135.00 141.69 2jpr n PRO 125 Ca -0.01 -2.30 0.16 0.00 -0.04 0.00 0.00 63.50 61.31 2jpr n PRO 125 Cb 0.44 -2.37 0.48 0.00 -0.04 0.00 0.00 33.50 32.01 2jpr n PRO 125 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 2jpr h VAL 126 N 2.35 0.77 -0.31 0.52 -1.51 -1.92 -0.58 116.25 115.58 2jpr h VAL 126 Ca 0.52 -0.16 -0.01 0.00 -1.23 0.00 0.00 66.70 65.82 2jpr h VAL 126 Cb 0.71 0.25 -0.01 0.00 -2.13 0.00 0.00 31.29 30.11 2jpr h VAL 126 CO 1.06 0.09 0.16 1.23 -1.23 0.00 0.00 177.57 178.87 2jpr h GLY 127 N 0.47 0.46 1.42 5.19 0.00 -1.85 -1.14 103.07 107.62 2jpr h GLY 127 Ca 0.42 -0.22 -0.14 0.00 0.00 0.00 0.00 47.33 47.39 2jpr h GLY 127 CO -0.16 0.21 -0.43 0.83 0.00 0.00 0.00 176.54 176.99 2jpr h GLU 128 N 0.37 0.63 -0.44 4.80 4.39 -1.41 -0.48 114.58 122.44 2jpr h GLU 128 Ca 0.11 -0.34 -0.02 0.00 0.34 0.00 0.00 59.36 59.45 2jpr h GLU 128 Cb 0.08 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 2jpr h GLU 128 CO -0.02 0.94 0.19 0.82 -1.16 0.00 0.00 179.01 179.78 2jpr h ILE 129 N 0.51 1.20 -0.62 3.13 2.04 -1.17 -1.56 117.51 121.05 2jpr h ILE 129 Ca 0.04 -0.59 -0.09 0.00 1.00 0.00 0.00 64.86 65.22 2jpr h ILE 129 Cb 0.96 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 2jpr h ILE 129 CO 0.09 0.22 0.04 0.22 0.00 0.00 0.00 178.15 178.72 2jpr h TYR 130 N 0.57 1.15 -0.84 1.37 3.20 -1.06 -2.80 116.97 118.55 2jpr h TYR 130 Ca 0.15 -0.18 0.08 0.00 3.14 0.00 0.00 58.73 61.92 2jpr h TYR 130 Cb 0.17 -0.30 -0.07 0.00 1.54 0.00 0.00 36.73 38.06 2jpr h TYR 130 CO -0.00 1.00 0.50 0.87 -1.64 0.00 0.00 178.16 178.89 2jpr h LYS 131 N 0.97 0.84 -0.57 1.82 1.57 -0.92 -0.70 116.57 119.58 2jpr h LYS 131 Ca 0.18 -0.05 0.05 0.00 -1.87 0.00 0.00 60.65 58.96 2jpr h LYS 131 Cb 0.51 -0.19 -0.05 0.00 0.08 0.00 0.00 32.23 32.58 2jpr h LYS 131 CO 0.02 0.56 0.29 -0.09 -0.57 0.00 0.00 179.45 179.66 2jpr h ARG 132 N 0.87 0.53 -0.51 3.15 2.43 -1.04 0.84 114.38 120.65 2jpr h ARG 132 Ca 0.39 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.42 2jpr h ARG 132 Cb 0.30 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 2jpr h ARG 132 CO -0.22 0.35 -0.11 -1.49 -1.51 0.00 0.00 179.97 177.00 2jpr h TRP 133 N 0.55 1.09 -0.25 2.20 6.55 -1.15 -0.68 115.95 124.26 2jpr h TRP 133 Ca 0.26 -0.23 -0.01 0.00 0.95 0.00 0.00 58.89 59.86 2jpr h TRP 133 Cb 0.18 -0.27 -0.01 0.00 -0.86 0.00 0.00 29.16 28.20 2jpr h TRP 133 CO -0.10 1.03 0.12 0.82 -1.05 0.00 0.00 178.44 179.26 2jpr h ILE 134 N 0.84 1.15 -0.63 1.49 2.04 -0.87 -1.81 117.51 119.72 2jpr h ILE 134 Ca 0.13 -0.43 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 2jpr h ILE 134 Cb 0.67 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 2jpr h ILE 134 CO 0.05 0.15 0.27 0.40 0.00 0.00 0.00 178.15 179.02 2jpr h ILE 135 N 0.27 1.21 -0.69 -0.67 2.04 -0.71 0.10 117.51 119.06 2jpr h ILE 135 Ca 0.09 -0.64 -0.00 0.00 1.00 0.00 0.00 64.86 65.30 2jpr h ILE 135 Cb 0.13 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 2jpr h ILE 135 CO -0.01 0.26 0.42 0.25 0.00 0.00 0.00 178.15 179.07 2jpr h LEU 136 N 0.89 0.83 -0.31 1.44 5.85 -0.98 -0.42 115.31 122.61 2jpr h LEU 136 Ca 0.22 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 2jpr h LEU 136 Cb 0.14 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 2jpr h LEU 136 CO -0.02 0.65 0.04 1.23 -0.34 0.00 0.00 178.44 179.99 2jpr h GLY 137 N 0.94 0.57 0.85 3.75 0.00 -0.44 -2.09 103.07 106.65 2jpr h GLY 137 Ca 0.25 -0.39 0.04 0.00 0.00 0.00 0.00 47.33 47.22 2jpr h GLY 137 CO -0.05 0.36 0.50 1.41 0.00 0.00 0.00 176.54 178.77 2jpr h LEU 138 N 0.35 0.82 -0.22 3.11 3.38 -0.75 -2.07 115.31 119.94 2jpr h LEU 138 Ca 0.09 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.11 2jpr h LEU 138 Cb 0.37 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 2jpr h LEU 138 CO 0.01 0.56 -0.07 0.78 0.09 0.00 0.00 178.44 179.81 2jpr h ASN 139 N 0.97 -0.24 -0.75 -0.43 2.35 -0.91 -1.30 115.58 115.27 2jpr h ASN 139 Ca 0.32 0.07 0.08 0.00 -0.55 0.00 0.00 56.30 56.22 2jpr h ASN 139 Cb 0.04 0.15 -0.06 0.00 0.05 0.00 0.00 38.32 38.49 2jpr h ASN 139 CO -0.12 -0.09 0.42 0.11 -1.65 0.00 0.00 177.43 176.10 2jpr h LYS 140 N -0.02 0.73 -0.14 0.81 1.57 -0.95 -1.33 116.57 117.23 2jpr h LYS 140 Ca 0.11 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 2jpr h LYS 140 Cb 0.18 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 2jpr h LYS 140 CO -0.24 0.48 0.04 0.82 -0.57 0.00 0.00 179.45 179.98 2jpr h ILE 141 N 0.75 1.19 -0.11 1.86 2.04 -0.92 -1.79 117.51 120.53 2jpr h ILE 141 Ca 0.35 -0.61 -0.12 0.00 1.00 0.00 0.00 64.86 65.49 2jpr h ILE 141 Cb 0.27 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 2jpr h ILE 141 CO -0.22 0.18 -0.44 -0.37 0.00 0.00 0.00 178.15 177.30 2jpr h VAL 142 N 0.04 1.32 -0.60 1.67 -1.51 -1.07 -0.09 116.25 116.00 2jpr h VAL 142 Ca 0.04 -1.61 0.00 0.00 -1.23 0.00 0.00 66.70 63.91 2jpr h VAL 142 Cb 0.25 1.73 -0.03 0.00 -2.13 0.00 0.00 31.29 31.11 2jpr h VAL 142 CO -0.00 0.48 0.39 0.03 -1.23 0.00 0.00 177.57 177.24 2jpr h ARG 143 N 0.21 0.80 0.05 5.19 3.08 -1.18 -3.24 114.38 119.29 2jpr h ARG 143 Ca 0.02 -0.06 -0.26 0.00 0.07 0.00 0.00 59.98 59.75 2jpr h ARG 143 Cb 0.87 -0.18 0.01 0.00 0.08 0.00 0.00 29.97 30.76 2jpr h ARG 143 CO 0.07 0.55 -1.07 1.98 -1.07 0.00 0.00 179.97 180.42 2jpr h MET 144 N 0.82 0.47 0.00 0.04 4.05 -1.06 -3.51 114.93 115.74 2jpr h MET 144 Ca 0.22 -0.58 0.00 0.00 -0.28 0.00 0.00 59.70 59.06 2jpr h MET 144 Cb -0.07 0.18 0.00 0.00 -0.80 0.00 0.00 31.60 30.91 2jpr h MET 144 CO -0.05 1.21 0.00 0.98 0.23 0.00 0.00 176.91 179.29