#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 5.07 0.15 4.25 -1.09 0.09 -1.07 121.20 128.60 2jpr s ILE 2 Ca 0.00 0.94 0.08 0.00 -2.23 0.00 0.00 60.65 59.44 2jpr s ILE 2 Cb 0.00 -3.79 -0.04 0.00 -1.58 0.00 0.00 42.46 37.05 2jpr s ILE 2 CO 0.00 0.45 -0.18 0.68 -1.23 0.00 0.00 174.94 174.67 2jpr s VAL 3 N -0.24 1.70 -0.30 2.92 -7.23 -0.31 -4.54 120.40 112.40 2jpr s VAL 3 Ca 0.25 -1.84 -0.09 0.00 -1.81 0.00 0.00 61.98 58.49 2jpr s VAL 3 Cb -0.16 -1.75 -0.01 0.00 0.56 0.00 0.00 36.38 35.02 2jpr s VAL 3 CO 0.13 -0.31 0.14 -1.58 -0.31 0.00 0.00 175.10 173.16 2jpr s GLN 4 N -2.69 3.44 1.04 4.82 0.74 -1.26 -0.63 119.66 125.13 2jpr s GLN 4 Ca 0.13 -0.64 -0.17 0.00 0.05 0.00 0.00 55.36 54.73 2jpr s GLN 4 Cb -0.06 -3.53 0.23 0.00 1.10 0.00 0.00 33.01 30.75 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 1.63 2.36 0.52 6.67 2.20 -0.37 -4.90 114.94 123.05 2jpr s ASN 5 Ca 0.05 0.39 0.24 0.00 -0.94 0.00 0.00 52.86 52.60 2jpr s ASN 5 Cb -0.17 -0.50 1.44 0.00 -2.00 0.00 0.00 41.25 40.03 2jpr s ASN 5 CO 0.06 -3.21 2.11 0.25 -2.94 0.00 0.00 177.10 173.37 2jpr h LEU 6 N -1.97 0.00 -0.42 3.54 5.85 -1.99 -1.08 115.31 119.23 2jpr h LEU 6 Ca -0.44 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.28 2jpr h LEU 6 Cb 1.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.28 2jpr h LEU 6 CO 0.37 0.09 -0.06 0.00 -0.34 0.00 0.00 178.44 178.50 2jpr n GLN 7 N -3.93 1.07 -0.70 1.25 3.00 -1.26 -4.93 117.38 111.88 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 0.18 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 28.93 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 -0.41 -5.04 105.19 106.50 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 -3.35 -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 0.00 175.29 173.66 2jpr s MET 10 N 1.67 4.39 -0.12 1.67 -1.94 -1.26 -1.24 119.30 122.48 2jpr s MET 10 Ca 0.69 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 -0.37 -0.14 0.08 -0.01 0.00 0.00 175.02 174.89 2jpr s VAL 11 N 2.06 1.43 0.24 -6.03 1.01 0.20 -4.97 120.40 114.33 2jpr s VAL 11 Ca 0.52 -0.58 -0.30 0.00 0.00 0.00 0.00 61.98 61.62 2jpr s VAL 11 Cb -0.21 -1.33 -0.09 0.00 0.00 0.00 0.00 36.38 34.74 2jpr s VAL 11 CO 0.20 0.43 0.98 -2.28 0.00 0.00 0.00 175.10 174.44 2jpr s HIS 12 N 1.21 3.87 0.00 5.22 2.46 -1.26 -1.17 115.29 125.63 2jpr s HIS 12 Ca -0.02 1.85 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 0.18 -0.10 -0.65 -2.47 0.00 0.00 174.74 171.65 2jpr s GLN 13 N -1.17 0.76 0.71 2.88 -0.21 -0.23 -4.99 119.66 117.41 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 -0.73 0.02 0.00 1.00 0.00 0.00 33.01 33.03 2jpr s GLN 13 CO 0.34 0.20 1.21 0.00 -2.12 0.00 0.00 175.29 174.91 2jpr n ALA 14 N 2.67 0.53 -1.70 6.09 0.00 -1.26 -0.08 120.51 126.75 2jpr n ALA 14 Ca -0.14 -0.14 -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 17.73 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 -2.47 1.37 -2.10 0.00 3.06 -1.26 -4.49 119.36 113.48 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 38.99 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 0.43 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 1.08 0.00 -1.71 0.00 0.00 66.02 62.23 2jpr s SER 16 CO 0.54 -0.71 1.89 -0.65 1.20 0.00 0.00 173.24 175.51 2jpr h PRO 17 N 6.81 0.39 -0.48 5.44 0.11 -1.99 -1.70 132.00 140.58 2jpr h PRO 17 Ca -0.42 -0.02 -0.10 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 0.26 -0.09 0.00 -0.21 0.00 0.00 178.00 178.83 2jpr h ARG 18 N 0.40 0.87 -0.55 1.05 3.08 -1.99 -0.15 114.38 117.08 2jpr h ARG 18 Ca 0.42 -0.29 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 2jpr h ARG 18 Cb 1.04 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.99 2jpr h ARG 18 CO -0.14 0.92 0.33 1.15 -1.07 0.00 0.00 179.97 181.16 2jpr h THR 19 N 0.78 1.17 -0.44 2.04 2.02 -1.72 -0.28 112.91 116.48 2jpr h THR 19 Ca 0.13 -0.39 -0.03 0.00 0.77 0.00 0.00 66.41 66.89 2jpr h THR 19 Cb 0.60 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 2jpr h THR 19 CO 0.04 0.18 0.15 -0.07 0.37 0.00 0.00 175.52 176.19 2jpr h LEU 20 N 0.75 0.62 -0.32 2.58 3.38 -1.17 -0.35 115.31 120.79 2jpr h LEU 20 Ca 0.20 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.99 2jpr h LEU 20 Cb -0.00 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2jpr h LEU 20 CO -0.04 0.64 0.18 0.78 0.09 0.00 0.00 178.44 180.10 2jpr h ASN 21 N 0.57 0.30 -0.44 -0.43 2.35 -0.85 -0.75 115.58 116.32 2jpr h ASN 21 Ca 0.14 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.89 2jpr h ASN 21 Cb 0.23 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 2jpr h ASN 21 CO -0.01 0.22 0.26 0.00 -1.65 0.00 0.00 177.43 176.25 2jpr h ALA 22 N 1.14 0.56 -0.36 -0.83 0.00 -0.95 -1.68 119.26 117.16 2jpr h ALA 22 Ca 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2jpr h ALA 22 Cb 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2jpr h ALA 22 CO -0.06 0.06 0.23 2.35 0.00 0.00 0.00 179.25 181.82 2jpr h TRP 23 N 0.58 0.46 0.24 0.00 -0.00 -0.79 0.78 115.95 117.22 2jpr h TRP 23 Ca 0.16 0.01 0.00 0.00 -0.00 0.00 0.00 58.89 59.06 2jpr h TRP 23 Cb 0.01 -0.15 -0.02 0.00 -0.00 0.00 0.00 29.16 29.00 2jpr h TRP 23 CO -0.03 0.31 -0.25 0.28 -0.00 0.00 0.00 178.44 178.75 2jpr h VAL 24 N 0.47 0.47 -0.72 2.65 2.07 -1.05 -1.73 116.25 118.40 2jpr h VAL 24 Ca 0.13 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.66 2jpr h VAL 24 Cb -0.03 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.17 2jpr h VAL 24 CO -0.03 0.00 0.48 0.11 0.02 0.00 0.00 177.57 178.15 2jpr h LYS 25 N -0.53 0.93 0.03 1.57 1.57 -1.12 -0.49 116.57 118.54 2jpr h LYS 25 Ca -0.00 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.74 2jpr h LYS 25 Cb 0.49 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 2jpr h LYS 25 CO -0.06 0.62 -0.15 0.28 -0.57 0.00 0.00 179.45 179.57 2jpr h VAL 26 N 0.96 0.63 -0.40 0.50 2.07 -0.69 -3.01 116.25 116.31 2jpr h VAL 26 Ca 0.27 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.71 2jpr h VAL 26 Cb -0.08 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 2jpr h VAL 26 CO -0.06 0.00 -0.07 0.58 0.02 0.00 0.00 177.57 178.04 2jpr h VAL 27 N -0.27 1.24 -0.06 2.57 2.07 -0.45 -1.32 116.25 120.02 2jpr h VAL 27 Ca 0.04 -1.05 0.02 0.00 0.82 0.00 0.00 66.70 66.53 2jpr h VAL 27 Cb 0.32 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 2jpr h VAL 27 CO -0.12 0.36 0.09 -0.33 0.02 0.00 0.00 177.57 177.58 2jpr h GLU 28 N 0.64 0.00 0.00 1.57 5.08 -0.99 -1.94 114.58 118.93 2jpr h GLU 28 Ca 0.12 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.35 2jpr h GLU 28 Cb 0.50 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 2jpr h GLU 28 CO 0.03 0.00 -1.79 0.39 -1.00 0.00 0.00 179.01 176.64 2jpr n GLU 29 N -3.65 1.19 -0.24 2.33 -0.58 -0.96 -4.81 120.64 113.92 2jpr n GLU 29 Ca -0.01 -0.06 0.01 0.00 -0.42 0.00 0.00 57.16 56.67 2jpr n GLU 29 Cb 0.18 -1.34 0.01 0.00 -0.57 0.00 0.00 31.44 29.72 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 -2.26 0.37 -0.39 3.49 4.76 -0.54 -4.95 118.16 118.65 2jpr n LYS 30 Ca -0.13 -1.03 0.31 0.00 -2.87 0.00 0.00 58.31 54.59 2jpr n LYS 30 Cb 0.67 -0.64 0.58 0.00 -1.84 0.00 0.00 35.03 33.80 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 2.42 -0.10 7.82 0.00 -1.54 -2.13 119.26 125.73 2jpr h ALA 31 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2jpr h ALA 31 Cb 1.15 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 -4.82 0.18 -4.21 0.00 3.72 -1.26 -4.83 117.46 106.23 2jpr n PHE 32 Ca 0.34 -0.62 -0.28 0.00 -0.05 0.00 0.00 57.45 56.85 2jpr n PHE 32 Cb 1.22 -0.08 -0.08 0.00 -0.94 0.00 0.00 39.48 39.60 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 -1.40 4.64 0.51 4.37 1.04 -0.80 -4.55 113.70 117.51 2jpr s SER 33 Ca 0.14 -0.40 0.25 0.00 0.48 0.00 0.00 55.95 56.41 2jpr s SER 33 Cb 0.10 -0.95 1.35 0.00 0.10 0.00 0.00 66.02 66.62 2jpr s SER 33 CO 0.05 0.12 1.96 -0.65 0.98 0.00 0.00 173.24 175.69 2jpr h PRO 34 N 2.99 0.08 0.00 4.02 0.11 -1.94 -2.52 132.00 134.74 2jpr h PRO 34 Ca -0.47 -0.00 -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 0.56 0.05 -0.01 0.93 -0.21 0.00 0.00 178.00 179.33 2jpr h GLU 35 N 0.08 0.00 -0.48 1.05 3.07 -1.96 -2.78 114.58 113.56 2jpr h GLU 35 Ca 0.31 0.00 0.09 0.00 -0.50 0.00 0.00 59.36 59.27 2jpr h GLU 35 Cb 1.13 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.01 2jpr h GLU 35 CO -0.03 0.01 0.33 -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 -2.03 116.25 119.98 2jpr h VAL 36 Ca -0.00 -0.08 -0.02 0.00 -1.01 0.00 0.00 66.70 65.59 2jpr h VAL 36 Cb 0.11 0.61 0.00 0.00 -2.01 0.00 0.00 31.29 30.01 2jpr h VAL 36 CO 0.00 0.04 -0.17 0.40 -1.01 0.00 0.00 177.57 176.84 2jpr h ILE 37 N 0.24 0.40 0.00 3.17 2.04 -1.74 -0.14 117.51 121.48 2jpr h ILE 37 Ca 0.22 -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 37.27 2jpr h ILE 37 CO -0.04 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 -1.35 132.00 129.99 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 0.00 178.00 178.29 2jpr h MET 39 N 0.00 0.96 -0.39 0.86 2.86 -1.40 -0.14 114.93 117.68 2jpr h MET 39 Ca -0.00 -0.47 0.04 0.00 -2.06 0.00 0.00 59.70 57.21 2jpr h MET 39 Cb 0.42 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.04 2jpr h MET 39 CO 0.03 1.13 0.17 0.35 1.06 0.00 0.00 176.91 179.65 2jpr h PHE 40 N 0.80 0.30 -0.56 -0.22 3.57 -0.63 -2.01 116.94 118.18 2jpr h PHE 40 Ca 0.08 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 2jpr h PHE 40 Cb 0.90 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.54 2jpr h PHE 40 CO 0.06 0.14 0.34 0.77 -2.23 0.00 0.00 178.31 177.39 2jpr h SER 41 N 0.34 0.68 -0.11 0.41 0.02 -1.15 -2.57 113.55 111.16 2jpr h SER 41 Ca 0.17 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 2jpr h SER 41 Cb 0.12 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 2jpr h SER 41 CO -0.15 0.54 0.05 0.00 -1.14 0.00 0.00 176.83 176.13 2jpr h ALA 42 N 1.17 1.82 -0.29 3.77 0.00 -0.79 -2.64 119.26 122.30 2jpr h ALA 42 Ca 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2jpr h ALA 42 Cb -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2jpr h ALA 42 CO -0.04 0.15 0.00 1.28 0.00 0.00 0.00 179.25 180.64 2jpr n LEU 43 N -4.47 2.78 -0.59 0.00 4.77 -0.77 -4.39 117.00 114.33 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 0.11 -0.19 0.06 0.00 -2.33 0.00 0.00 43.42 41.07 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 1.06 0.92 -4.69 -1.43 3.41 -0.99 -5.00 113.62 106.90 2jpr n SER 44 Ca 0.18 -2.45 -0.50 0.00 -0.26 0.00 0.00 58.87 55.84 2jpr n SER 44 Cb 0.50 -0.31 -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 -0.37 1.96 -1.06 4.33 -0.58 -1.20 -1.82 120.64 121.89 2jpr n GLU 45 Ca 0.07 0.72 -0.02 0.00 -0.42 0.00 0.00 57.16 57.50 2jpr n GLU 45 Cb 0.77 -2.53 -0.01 0.00 -0.57 0.00 0.00 31.44 29.10 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 4.35 0.39 3.72 0.62 0.00 -1.26 -4.77 105.19 108.24 2jpr n GLY 46 Ca 0.23 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.57 3.82 0.71 4.61 0.00 -0.76 -0.73 121.76 127.86 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 3.79 0.42 0.00 -4.23 -1.26 -4.41 115.64 110.91 2jpr s THR 48 Ca 0.70 0.60 0.20 0.00 -1.18 0.00 0.00 61.69 62.01 2jpr s THR 48 Cb -0.46 -3.25 0.40 0.00 1.34 0.00 0.00 72.50 70.54 2jpr s THR 48 CO 0.34 -0.75 1.79 -0.65 -0.54 0.00 0.00 174.62 174.82 2jpr h PRO 49 N -0.78 0.35 -0.55 3.99 0.11 -1.86 -1.31 132.00 131.94 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 -0.08 0.37 -0.21 0.00 0.00 178.00 178.86 2jpr h GLN 50 N 0.36 1.02 -0.46 1.05 4.15 -1.90 -1.02 115.11 118.31 2jpr h GLN 50 Ca 0.57 -0.37 0.00 0.00 0.77 0.00 0.00 58.65 59.62 2jpr h GLN 50 Cb 1.51 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 29.10 2jpr h GLN 50 CO -0.24 1.06 0.30 -0.44 -1.93 0.00 0.00 178.83 177.57 2jpr h ASP 51 N 0.90 0.54 -0.45 -0.69 3.32 -1.64 -1.52 116.42 116.88 2jpr h ASP 51 Ca 0.15 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 2jpr h ASP 51 Cb 0.65 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 2jpr h ASP 51 CO 0.04 0.41 0.17 -0.07 -1.72 0.00 0.00 179.24 178.07 2jpr h LEU 52 N 0.62 0.64 -0.88 1.55 3.38 -1.19 -0.56 115.31 118.87 2jpr h LEU 52 Ca 0.17 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.98 2jpr h LEU 52 Cb -0.05 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.48 2jpr h LEU 52 CO -0.03 0.65 0.57 0.78 0.09 0.00 0.00 178.44 180.50 2jpr h ASN 53 N 0.59 0.97 -0.45 -0.43 2.35 -1.12 -1.43 115.58 116.06 2jpr h ASN 53 Ca 0.15 -0.02 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 38.34 2jpr h ASN 53 CO -0.01 0.68 0.29 0.74 -1.65 0.00 0.00 177.43 177.48 2jpr h THR 54 N 1.14 1.13 -0.23 2.81 2.02 -0.72 -0.21 112.91 118.85 2jpr h THR 54 Ca 0.34 -0.25 0.03 0.00 0.77 0.00 0.00 66.41 67.30 2jpr h THR 54 Cb -0.06 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 66.81 2jpr h THR 54 CO -0.10 0.12 0.03 0.24 0.37 0.00 0.00 175.52 176.19 2jpr h MET 55 N 0.61 0.11 -0.70 6.66 2.86 -0.76 -2.75 114.93 120.96 2jpr h MET 55 Ca 0.16 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.76 2jpr h MET 55 Cb -0.05 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.56 2jpr h MET 55 CO -0.03 0.07 0.27 -0.07 1.06 0.00 0.00 176.91 178.21 2jpr h LEU 56 N 0.12 0.96 -1.58 1.22 3.38 -1.03 -2.77 115.31 115.60 2jpr h LEU 56 Ca 0.10 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 57.96 2jpr h LEU 56 Cb 0.11 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 2jpr h LEU 56 CO -0.15 0.86 0.32 0.78 0.09 0.00 0.00 178.44 180.34 2jpr h ASN 57 N 1.02 0.47 0.81 -0.43 2.35 -0.76 -2.27 115.58 116.76 2jpr h ASN 57 Ca 0.24 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 2jpr h ASN 57 Cb 0.21 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.47 2jpr h ASN 57 CO -0.02 0.32 0.00 0.35 -1.65 0.00 0.00 177.43 176.44 2jpr n THR 58 N -4.47 0.74 -0.12 2.81 -2.24 -1.05 -3.62 114.28 106.33 2jpr n THR 58 Ca 0.05 0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 2jpr n THR 58 Cb 0.14 -0.93 0.00 0.00 -2.10 0.00 0.00 70.33 67.44 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 -1.90 0.66 0.03 2.28 0.24 -0.88 -4.81 118.33 113.95 2jpr n VAL 59 Ca 0.04 -0.77 0.00 0.00 -2.04 0.00 0.00 64.34 61.57 2jpr n VAL 59 Cb 0.26 0.70 0.02 0.00 -1.47 0.00 0.00 33.84 33.34 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 -0.33 -0.31 0.37 7.63 0.00 -1.08 -3.71 105.19 107.77 2jpr n GLY 60 Ca 0.00 -0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.17 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 0.11 0.49 -7.68 -0.02 0.00 -1.88 -3.22 103.07 90.86 2jpr h GLY 61 Ca 0.00 -0.13 -0.74 0.00 0.00 0.00 0.00 47.33 46.46 2jpr h GLY 61 CO 0.00 0.05 1.33 1.57 0.00 0.00 0.00 176.54 179.49 2jpr n HIS 62 N -4.45 4.95 -0.27 5.60 -0.00 -1.24 -4.90 115.22 114.90 2jpr n HIS 62 Ca 0.12 -3.38 0.17 0.00 -0.00 0.00 0.00 57.72 54.63 2jpr n HIS 62 Cb 0.51 -2.16 0.45 0.00 -0.00 0.00 0.00 29.99 28.80 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 7.07 0.51 -0.26 1.57 -0.00 -1.91 -1.38 115.11 120.71 2jpr h GLN 63 Ca 0.31 -0.03 -0.16 0.00 -0.00 0.00 0.00 58.65 58.77 2jpr h GLN 63 Cb 0.86 -0.11 0.00 0.00 -0.00 0.00 0.00 27.48 28.23 2jpr h GLN 63 CO 1.24 0.33 -0.47 0.00 -0.00 0.00 0.00 178.83 179.94 2jpr h ALA 64 N 1.61 0.40 -0.40 0.06 0.00 -1.92 0.62 119.26 119.65 2jpr h ALA 64 Ca 0.49 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2jpr h ALA 64 Cb 1.06 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2jpr h ALA 64 CO -0.22 0.56 0.00 0.00 0.00 0.00 0.00 179.25 179.59 2jpr h ALA 65 N 0.65 0.54 -0.81 0.00 0.00 -1.89 -2.27 119.26 115.48 2jpr h ALA 65 Ca 0.01 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 2jpr h ALA 65 Cb 1.08 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 2jpr h ALA 65 CO 0.11 0.32 0.33 1.98 0.00 0.00 0.00 179.25 181.98 2jpr h MET 66 N 0.54 1.20 -0.15 0.00 1.85 -1.20 -1.28 114.93 115.89 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 0.47 -0.20 -0.03 0.00 0.43 0.00 0.00 31.60 32.28 2jpr h MET 66 CO 0.02 0.97 -0.04 0.37 -0.40 0.00 0.00 176.91 177.83 2jpr h GLN 67 N 1.17 -0.01 -0.57 0.39 4.15 -0.81 0.24 115.11 119.68 2jpr h GLN 67 Ca 0.27 0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.75 2jpr h GLN 67 Cb 0.21 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.84 2jpr h GLN 67 CO -0.02 -0.01 0.27 1.98 -1.93 0.00 0.00 178.83 179.12 2jpr h MET 68 N -0.01 0.49 -0.11 1.69 4.05 -1.16 -0.40 114.93 119.49 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 30.80 2jpr h MET 68 CO -0.16 0.33 0.06 1.25 0.23 0.00 0.00 176.91 178.61 2jpr h LEU 69 N 0.51 0.14 -0.94 3.39 5.85 -0.90 -1.90 115.31 121.46 2jpr h LEU 69 Ca 0.27 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 2jpr h LEU 69 Cb 0.22 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 2jpr h LEU 69 CO -0.21 0.20 0.18 0.11 -0.34 0.00 0.00 178.44 178.38 2jpr h LYS 70 N 0.07 0.96 -0.45 1.25 1.79 -0.70 -0.41 116.57 119.08 2jpr h LYS 70 Ca 0.04 -0.19 0.00 0.00 -2.18 0.00 0.00 60.65 58.32 2jpr h LYS 70 Cb 0.09 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 30.58 2jpr h LYS 70 CO -0.01 0.83 0.30 0.93 -1.08 0.00 0.00 179.45 180.43 2jpr h GLU 71 N 0.93 0.59 -0.64 3.15 5.08 -1.01 -0.74 114.58 121.93 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 0.28 -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 0.29 1.15 -1.00 0.00 0.00 179.01 179.84 2jpr h THR 72 N 0.61 1.22 -0.43 1.13 2.02 -0.82 -0.69 112.91 115.95 2jpr h THR 72 Ca 0.16 -0.65 0.02 0.00 0.77 0.00 0.00 66.41 66.71 2jpr h THR 72 Cb -0.07 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 66.78 2jpr h THR 72 CO -0.04 0.26 0.25 0.40 0.37 0.00 0.00 175.52 176.77 2jpr h ILE 73 N 0.89 1.04 -0.70 3.11 2.04 -0.89 -1.15 117.51 121.84 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 36.68 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 0.51 1.04 -0.25 1.72 -0.26 -0.84 -0.36 115.58 117.15 2jpr h ASN 74 Ca 0.17 -0.20 -0.00 0.00 -0.56 0.00 0.00 56.30 55.71 2jpr h ASN 74 Cb 0.01 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 36.99 2jpr h ASN 74 CO -0.08 0.98 0.15 -0.33 -1.06 0.00 0.00 177.43 177.08 2jpr h GLU 75 N 1.05 0.33 -0.16 0.81 5.08 -0.86 -0.99 114.58 119.84 2jpr h GLU 75 Ca 0.23 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.42 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 0.26 -0.46 0.93 -1.00 0.00 0.00 179.01 178.73 2jpr h GLU 76 N 0.31 0.41 -0.52 2.33 4.39 -1.07 -1.47 114.58 118.96 2jpr h GLU 76 Ca 0.09 -0.22 -0.07 0.00 0.34 0.00 0.00 59.36 59.49 2jpr h GLU 76 Cb 0.02 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 2jpr h GLU 76 CO -0.02 0.79 0.05 0.00 -1.16 0.00 0.00 179.01 178.68 2jpr h ALA 77 N 1.17 0.70 -0.72 3.43 0.00 -0.98 -0.32 119.26 122.53 2jpr h ALA 77 Ca 0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2jpr h ALA 77 Cb 0.95 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 2jpr h ALA 77 CO 0.08 0.47 0.40 0.00 0.00 0.00 0.00 179.25 180.20 2jpr h ALA 78 N 0.97 0.93 -0.62 0.00 0.00 -1.06 -1.51 119.26 117.97 2jpr h ALA 78 Ca 0.15 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2jpr h ALA 78 Cb 0.46 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2jpr h ALA 78 CO 0.02 0.44 0.25 1.49 0.00 0.00 0.00 179.25 181.45 2jpr h GLU 79 N 1.00 0.92 -0.25 0.00 4.57 -1.09 -1.48 114.58 118.25 2jpr h GLU 79 Ca 0.26 -0.16 0.03 0.00 -1.18 0.00 0.00 59.36 58.30 2jpr h GLU 79 Cb 0.03 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.45 2jpr h GLU 79 CO -0.04 0.78 0.08 2.35 -1.18 0.00 0.00 179.01 180.99 2jpr h TRP 80 N 0.86 0.13 -0.03 0.92 2.91 -0.84 -1.95 115.95 117.96 2jpr h TRP 80 Ca 0.21 0.01 -0.03 0.00 1.13 0.00 0.00 58.89 60.21 2jpr h TRP 80 Cb 0.20 -0.02 -0.01 0.00 -0.51 0.00 0.00 29.16 28.82 2jpr h TRP 80 CO 0.01 0.06 -0.13 -0.44 -1.03 0.00 0.00 178.44 176.90 2jpr h ASP 81 N 0.18 0.04 -0.34 2.65 3.32 -1.06 0.14 116.42 121.36 2jpr h ASP 81 Ca 0.11 -0.01 -0.14 0.00 0.02 0.00 0.00 57.03 57.01 2jpr h ASP 81 Cb 0.09 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 2jpr h ASP 81 CO -0.12 0.19 -0.33 -0.09 -1.72 0.00 0.00 179.24 177.17 2jpr h ARG 82 N 0.05 0.87 0.00 3.56 2.43 -0.91 -2.18 114.38 118.19 2jpr h ARG 82 Ca 0.01 -0.42 -0.16 0.00 -0.81 0.00 0.00 59.98 58.60 2jpr h ARG 82 Cb 0.27 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 2jpr h ARG 82 CO 0.02 1.07 -0.74 -0.07 -1.51 0.00 0.00 179.97 178.74 2jpr h LEU 83 N 0.73 0.00 -5.78 3.80 3.38 -0.79 -3.39 115.31 113.26 2jpr h LEU 83 Ca 0.07 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.52 2jpr h LEU 83 Cb 0.89 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.24 2jpr h LEU 83 CO 0.08 0.74 -0.99 1.41 0.09 0.00 0.00 178.44 179.77 2jpr n HIS 84 N -3.32 1.53 -1.86 1.13 8.25 0.43 -5.10 115.22 116.29 2jpr n HIS 84 Ca 0.01 -3.87 -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 -2.69 4.16 0.32 -0.41 0.04 -0.82 -4.63 135.00 130.97 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 4.18 2.05 0.63 -0.36 1.01 -1.26 -5.03 120.40 121.61 2jpr s VAL 86 Ca 0.80 0.04 -0.11 0.00 0.00 0.00 0.00 61.98 62.71 2jpr s VAL 86 Cb -0.38 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 32.94 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 -0.32 3.60 0.49 5.22 3.76 -1.26 -4.98 115.29 121.79 2jpr s HIS 87 Ca 0.60 1.26 0.41 0.00 -0.15 0.00 0.00 55.06 57.18 2jpr s HIS 87 Cb -0.48 -2.75 2.11 0.00 1.11 0.00 0.00 32.58 32.57 2jpr s HIS 87 CO 0.52 -0.73 2.25 0.00 -0.85 0.00 0.00 174.74 175.93 2jpr h ALA 88 N -0.34 1.00 -2.55 -1.40 0.00 -2.04 -3.45 119.26 110.47 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 0.48 0.20 0.00 0.00 0.00 179.25 180.55 2jpr s GLY 89 N -4.15 -0.00 1.06 0.00 0.00 -1.26 -5.18 107.32 97.78 2jpr s GLY 89 Ca -0.03 -0.21 -0.12 0.00 0.00 0.00 0.00 44.72 44.36 2jpr s GLY 89 CO 0.45 0.88 1.07 2.56 0.00 0.00 0.00 173.10 178.05 2jpr s PRO 90 N -2.75 -0.06 0.28 2.90 0.04 -1.26 -4.95 135.00 129.20 2jpr s PRO 90 Ca 0.16 0.65 -0.01 0.00 0.04 0.00 0.00 61.00 61.84 2jpr s PRO 90 Cb -0.03 -1.67 0.46 0.00 0.04 0.00 0.00 34.50 33.30 2jpr s PRO 90 CO 0.05 -3.10 1.90 0.82 0.04 0.00 0.00 177.00 176.72 2jpr h ILE 91 N -2.16 1.10 -3.23 0.56 2.04 -1.89 -3.45 117.51 110.47 2jpr h ILE 91 Ca -0.57 -0.38 -0.03 0.00 1.00 0.00 0.00 64.86 64.88 2jpr h ILE 91 Cb 1.33 -0.12 -0.11 0.00 -0.74 0.00 0.00 36.82 37.17 2jpr h ILE 91 CO 0.55 0.20 0.06 0.00 0.00 0.00 0.00 178.15 178.96 2jpr s ALA 92 N -5.98 -1.14 0.15 1.87 0.00 -1.26 -5.10 121.76 110.29 2jpr s ALA 92 Ca -0.12 0.05 -0.34 0.00 0.00 0.00 0.00 51.96 51.55 2jpr s ALA 92 Cb 0.20 0.81 -0.16 0.00 0.00 0.00 0.00 23.12 23.97 2jpr s ALA 92 CO 0.81 -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 2.11 2.39 3.77 -1.23 0.00 -1.26 -5.05 105.19 105.91 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 -0.50 4.54 0.46 1.61 -1.52 -0.97 -5.05 119.66 118.23 2jpr s GLN 95 Ca 0.00 1.47 -0.23 0.00 -1.95 0.00 0.00 55.36 54.65 2jpr s GLN 95 Cb 0.00 -2.88 -0.07 0.00 -0.22 0.00 0.00 33.01 29.84 2jpr s GLN 95 CO 0.00 0.21 1.21 -1.64 -0.25 0.00 0.00 175.29 174.82 2jpr s MET 96 N -1.92 3.74 0.62 2.91 -1.94 -1.26 -4.85 119.30 116.60 2jpr s MET 96 Ca 0.50 1.89 -0.17 0.00 -1.71 0.00 0.00 55.69 56.20 2jpr s MET 96 Cb -0.23 -2.46 -0.02 0.00 2.01 0.00 0.00 34.83 34.13 2jpr s MET 96 CO 0.29 -0.60 1.14 -0.98 -0.01 0.00 0.00 175.02 174.85 2jpr s ARG 97 N -2.62 2.95 0.12 2.03 1.70 -1.26 -4.79 118.95 117.08 2jpr s ARG 97 Ca 0.63 1.55 -0.31 0.00 -0.47 0.00 0.00 55.73 57.13 2jpr s ARG 97 Cb -0.32 -1.96 -0.07 0.00 -0.57 0.00 0.00 34.95 32.04 2jpr s ARG 97 CO 0.39 -1.16 1.25 -2.00 -1.08 0.00 0.00 175.30 172.70 2jpr s GLU 98 N -3.72 4.42 0.32 3.89 2.12 -1.26 -5.01 118.70 119.47 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 -0.23 -3.28 -0.10 0.00 0.26 0.00 0.00 34.13 30.77 2jpr s GLU 98 CO 0.36 -0.25 1.23 -1.25 -0.54 0.00 0.00 175.26 174.81 2jpr s PRO 99 N 0.61 4.42 0.95 4.30 0.04 -1.26 -5.00 135.00 139.06 2jpr s PRO 99 Ca 0.58 2.07 -0.13 0.00 0.04 0.00 0.00 61.00 63.56 2jpr s PRO 99 Cb -0.33 -3.08 0.16 0.00 0.04 0.00 0.00 34.50 31.29 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 -1.72 0.83 0.20 4.56 0.52 -1.26 -4.90 118.95 117.18 2jpr s ARG 100 Ca 0.48 0.18 -0.10 0.00 -0.52 0.00 0.00 55.73 55.77 2jpr s ARG 100 Cb -0.37 -1.81 0.21 0.00 0.52 0.00 0.00 34.95 33.50 2jpr s ARG 100 CO 0.48 -2.39 1.82 0.78 0.02 0.00 0.00 175.30 176.02 2jpr h GLY 101 N -1.63 0.95 2.00 -3.53 0.00 -1.90 -1.58 103.07 97.38 2jpr h GLY 101 Ca -0.49 -0.27 -0.05 0.00 0.00 0.00 0.00 47.33 46.51 2jpr h GLY 101 CO 0.57 0.19 -0.26 1.48 0.00 0.00 0.00 176.54 178.52 2jpr h SER 102 N 0.72 0.00 -0.17 0.19 4.64 -1.95 -0.97 113.55 116.01 2jpr h SER 102 Ca 0.28 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.42 2jpr h SER 102 Cb 0.12 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.21 2jpr h SER 102 CO -0.15 0.26 -0.59 0.44 -0.87 0.00 0.00 176.83 175.92 2jpr h ASP 103 N 0.00 0.81 -0.62 4.97 3.32 -1.77 -0.58 116.42 122.55 2jpr h ASP 103 Ca -0.00 -0.60 -0.03 0.00 0.02 0.00 0.00 57.03 56.42 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 1.27 0.28 0.40 -1.72 0.00 0.00 179.24 179.51 2jpr h ILE 104 N 0.40 1.22 0.00 0.35 2.04 -1.10 -1.90 117.51 118.52 2jpr h ILE 104 Ca -0.02 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.19 2jpr h ILE 104 Cb 1.21 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 2jpr h ILE 104 CO 0.12 0.26 0.00 0.00 0.00 0.00 0.00 178.15 178.53 2jpr n ALA 105 N -2.35 2.16 -1.25 1.87 0.00 -0.39 -4.63 120.51 115.92 2jpr n ALA 105 Ca 0.04 -0.11 -0.09 0.00 0.00 0.00 0.00 53.44 53.28 2jpr n ALA 105 Cb 0.14 -1.31 -0.04 0.00 0.00 0.00 0.00 19.45 18.24 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 0.21 1.03 0.05 0.00 0.00 -0.71 -4.90 105.19 100.86 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 0.21 -0.26 2.61 -2.24 -0.28 -4.50 114.28 107.17 2jpr n THR 107 Ca -0.09 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 2jpr n THR 107 Cb 0.33 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 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 -0.34 -0.31 0.00 -2.27 0.00 0.00 64.05 61.11 2jpr n THR 108 Cb 0.55 1.26 -0.06 0.00 -2.10 0.00 0.00 70.33 69.99 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 5.84 0.63 3.42 1.04 -1.26 -4.87 113.70 118.39 2jpr s SER 109 Ca 0.00 0.09 -0.10 0.00 0.48 0.00 0.00 55.95 56.43 2jpr s SER 109 Cb 0.00 -1.66 -0.01 0.00 0.10 0.00 0.00 66.02 64.45 2jpr s SER 109 CO 0.00 0.17 1.00 0.42 0.98 0.00 0.00 173.24 175.81 2jpr s THR 110 N -1.44 4.11 0.28 2.02 -4.23 -1.26 -4.90 115.64 110.23 2jpr s THR 110 Ca 0.31 0.50 -0.00 0.00 -1.18 0.00 0.00 61.69 61.32 2jpr s THR 110 Cb -0.12 -3.66 0.28 0.00 1.34 0.00 0.00 72.50 70.34 2jpr s THR 110 CO 0.24 -0.81 1.89 0.25 -0.54 0.00 0.00 174.62 175.65 2jpr h LEU 111 N -0.35 0.97 -0.88 4.79 5.85 -1.99 -1.75 115.31 121.95 2jpr h LEU 111 Ca -0.45 0.01 -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 42.03 2jpr h LEU 111 CO 0.62 0.60 0.24 -0.61 -0.34 0.00 0.00 178.44 178.95 2jpr h GLN 112 N 1.09 1.06 -0.52 1.25 5.75 -1.99 0.44 115.11 122.19 2jpr h GLN 112 Ca 0.43 -0.21 -0.05 0.00 -0.15 0.00 0.00 58.65 58.67 2jpr h GLN 112 Cb 0.24 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.60 2jpr h GLN 112 CO -0.18 0.89 0.13 0.93 -2.65 0.00 0.00 178.83 177.95 2jpr h GLU 113 N 1.03 0.83 -0.36 1.69 5.08 -1.87 -0.71 114.58 120.27 2jpr h GLU 113 Ca 0.23 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2jpr h GLU 113 Cb 0.26 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2jpr h GLU 113 CO -0.01 0.79 0.22 1.96 -1.00 0.00 0.00 179.01 180.97 2jpr h GLN 114 N 0.72 0.48 -0.38 2.33 4.20 -0.85 -0.89 115.11 120.71 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 0.34 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 2jpr h GLN 114 CO 0.00 0.35 0.24 0.82 -0.67 0.00 0.00 178.83 179.57 2jpr h ILE 115 N 0.47 1.07 -0.20 2.54 2.04 -0.90 -0.79 117.51 121.74 2jpr h ILE 115 Ca 0.13 -0.17 0.05 0.00 1.00 0.00 0.00 64.86 65.87 2jpr h ILE 115 Cb -0.01 0.54 -0.05 0.00 -0.74 0.00 0.00 36.82 36.56 2jpr h ILE 115 CO -0.03 0.09 -0.12 1.23 0.00 0.00 0.00 178.15 179.33 2jpr h GLY 116 N 0.49 0.05 0.88 5.37 0.00 -0.71 -0.44 103.07 108.72 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 0.00 176.54 177.84 2jpr h TRP 117 N -0.10 -0.01 0.00 5.60 6.55 -1.08 -2.12 115.95 124.78 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 0.27 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.57 2jpr h TRP 117 CO -0.27 0.11 0.00 0.52 -1.05 0.00 0.00 178.44 177.74 2jpr h MET 118 N -0.13 0.00 -0.25 0.49 2.86 -0.89 0.16 114.93 117.17 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 -2.83 0.84 -0.71 2.22 -2.24 -0.19 -4.67 114.28 106.71 2jpr n THR 119 Ca 0.01 -0.92 -0.32 0.00 -2.27 0.00 0.00 64.05 60.55 2jpr n THR 119 Cb 0.25 0.61 0.16 0.00 -2.10 0.00 0.00 70.33 69.25 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 0.40 -0.74 -3.99 4.78 -0.00 -0.80 -4.89 115.22 109.97 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 -1.81 -0.14 0.00 -0.00 0.00 0.00 29.99 28.41 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 -2.22 4.77 0.76 0.26 3.04 -1.26 -1.73 114.94 118.55 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 -1.65 0.05 0.00 -1.54 0.00 0.00 41.25 37.90 2jpr s ASN 121 CO 0.64 -0.35 1.09 -2.16 -3.04 0.00 0.00 177.10 173.29 2jpr s PRO 122 N 1.01 2.41 0.33 0.43 0.04 -1.26 -5.09 135.00 132.87 2jpr s PRO 122 Ca 0.04 0.66 -0.27 0.00 0.04 0.00 0.00 61.00 61.47 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 -1.40 0.96 -2.30 0.04 0.00 0.00 177.00 174.24 2jpr n PRO 123 N -3.29 1.25 -3.17 0.56 -0.02 -0.71 -4.97 135.00 124.66 2jpr n PRO 123 Ca 0.07 0.44 -0.45 0.00 -2.02 0.00 0.00 63.50 61.54 2jpr n PRO 123 Cb 0.56 -1.84 -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 -1.14 5.05 -0.79 4.25 1.01 0.02 -4.98 121.20 124.62 2jpr s ILE 124 Ca 0.60 -1.49 -0.06 0.00 0.00 0.00 0.00 60.65 59.70 2jpr s ILE 124 Cb -0.67 -4.50 -0.03 0.00 0.01 0.00 0.00 42.46 37.27 2jpr s ILE 124 CO 0.59 -1.11 2.92 -0.81 0.00 0.00 0.00 174.94 176.53 2jpr n PRO 125 N 5.65 3.12 -0.20 2.79 -0.04 -1.26 -3.34 135.00 141.72 2jpr n PRO 125 Ca -0.01 -2.28 0.16 0.00 -0.04 0.00 0.00 63.50 61.34 2jpr n PRO 125 Cb 0.44 -2.36 0.49 0.00 -0.04 0.00 0.00 33.50 32.03 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 2.34 0.76 -0.32 0.52 -1.51 -1.92 -0.58 116.25 115.55 2jpr h VAL 126 Ca 0.52 -0.15 -0.01 0.00 -1.23 0.00 0.00 66.70 65.82 2jpr h VAL 126 Cb 0.73 0.27 -0.01 0.00 -2.13 0.00 0.00 31.29 30.14 2jpr h VAL 126 CO 1.05 0.08 0.15 1.23 -1.23 0.00 0.00 177.57 178.85 2jpr h GLY 127 N 0.45 0.50 1.41 5.19 0.00 -1.85 -1.18 103.07 107.58 2jpr h GLY 127 Ca 0.41 -0.25 -0.14 0.00 0.00 0.00 0.00 47.33 47.35 2jpr h GLY 127 CO -0.15 0.23 -0.43 0.83 0.00 0.00 0.00 176.54 177.03 2jpr h GLU 128 N 0.38 0.64 -0.44 4.80 4.39 -1.41 -0.54 114.58 122.40 2jpr h GLU 128 Ca 0.11 -0.35 -0.02 0.00 0.34 0.00 0.00 59.36 59.44 2jpr h GLU 128 Cb 0.12 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 2jpr h GLU 128 CO -0.01 0.95 0.19 0.82 -1.16 0.00 0.00 179.01 179.80 2jpr h ILE 129 N 0.52 1.20 -0.62 3.13 2.04 -1.16 -1.55 117.51 121.07 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 37.77 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 0.58 1.14 -0.85 1.37 3.20 -1.08 -2.80 116.97 118.54 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 0.99 0.50 0.87 -1.64 0.00 0.00 178.16 178.89 2jpr h LYS 131 N 0.97 0.84 -0.56 1.82 1.57 -0.93 -0.64 116.57 119.64 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 -0.52 3.15 2.43 -1.03 0.86 114.38 120.67 2jpr h ARG 132 Ca 0.40 -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 29.72 2jpr h ARG 132 CO -0.22 0.35 -0.11 -1.49 -1.51 0.00 0.00 179.97 176.99 2jpr h TRP 133 N 0.55 1.11 -0.21 2.20 6.55 -1.14 -0.68 115.95 124.32 2jpr h TRP 133 Ca 0.25 -0.23 -0.01 0.00 0.95 0.00 0.00 58.89 59.85 2jpr h TRP 133 Cb 0.17 -0.27 -0.01 0.00 -0.86 0.00 0.00 29.16 28.19 2jpr h TRP 133 CO -0.10 1.04 0.10 0.82 -1.05 0.00 0.00 178.44 179.25 2jpr h ILE 134 N 0.85 1.14 -0.63 1.49 2.04 -0.86 -1.87 117.51 119.67 2jpr h ILE 134 Ca 0.13 -0.40 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 2jpr h ILE 134 Cb 0.67 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 2jpr h ILE 134 CO 0.05 0.14 0.30 0.40 0.00 0.00 0.00 178.15 179.03 2jpr h ILE 135 N 0.21 1.21 -0.68 -0.67 2.04 -0.71 0.12 117.51 119.02 2jpr h ILE 135 Ca 0.07 -0.59 -0.00 0.00 1.00 0.00 0.00 64.86 65.34 2jpr h ILE 135 Cb 0.13 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 2jpr h ILE 135 CO -0.01 0.25 0.41 0.25 0.00 0.00 0.00 178.15 179.05 2jpr h LEU 136 N 0.89 0.82 -0.33 1.44 5.85 -0.98 -0.39 115.31 122.61 2jpr h LEU 136 Ca 0.22 -0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 2jpr h LEU 136 Cb 0.10 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 2jpr h LEU 136 CO -0.03 0.64 0.03 1.23 -0.34 0.00 0.00 178.44 179.97 2jpr h GLY 137 N 0.93 0.61 0.82 3.75 0.00 -0.45 -2.04 103.07 106.69 2jpr h GLY 137 Ca 0.25 -0.43 0.04 0.00 0.00 0.00 0.00 47.33 47.18 2jpr h GLY 137 CO -0.05 0.40 0.46 1.41 0.00 0.00 0.00 176.54 178.76 2jpr h LEU 138 N 0.39 0.74 -0.21 3.11 3.38 -0.73 -2.05 115.31 119.94 2jpr h LEU 138 Ca 0.10 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.12 2jpr h LEU 138 Cb 0.40 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 2jpr h LEU 138 CO 0.01 0.50 -0.07 0.78 0.09 0.00 0.00 178.44 179.75 2jpr h ASN 139 N 0.88 -0.24 -0.73 -0.43 2.35 -0.90 -1.34 115.58 115.17 2jpr h ASN 139 Ca 0.31 0.07 0.08 0.00 -0.55 0.00 0.00 56.30 56.21 2jpr h ASN 139 Cb 0.07 0.15 -0.07 0.00 0.05 0.00 0.00 38.32 38.52 2jpr h ASN 139 CO -0.13 -0.09 0.40 0.11 -1.65 0.00 0.00 177.43 176.07 2jpr h LYS 140 N -0.02 0.69 -0.18 0.81 1.57 -0.97 -1.24 116.57 117.23 2jpr h LYS 140 Ca 0.10 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 2jpr h LYS 140 Cb 0.18 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 2jpr h LYS 140 CO -0.23 0.45 0.04 0.82 -0.57 0.00 0.00 179.45 179.97 2jpr h ILE 141 N 0.71 1.20 -0.12 1.86 2.04 -0.92 -1.42 117.51 120.86 2jpr h ILE 141 Ca 0.35 -0.65 -0.12 0.00 1.00 0.00 0.00 64.86 65.44 2jpr h ILE 141 Cb 0.29 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 2jpr h ILE 141 CO -0.23 0.20 -0.45 -0.37 0.00 0.00 0.00 178.15 177.31 2jpr h VAL 142 N 0.10 1.32 -0.34 1.67 -1.51 -1.08 -0.27 116.25 116.16 2jpr h VAL 142 Ca 0.06 -1.62 -0.00 0.00 -1.23 0.00 0.00 66.70 63.91 2jpr h VAL 142 Cb 0.27 1.73 -0.02 0.00 -2.13 0.00 0.00 31.29 31.14 2jpr h VAL 142 CO 0.00 0.49 0.20 0.03 -1.23 0.00 0.00 177.57 177.06 2jpr h ARG 143 N 0.23 0.46 -0.20 5.19 3.08 -1.15 -3.24 114.38 118.76 2jpr h ARG 143 Ca 0.02 -0.04 -0.19 0.00 0.07 0.00 0.00 59.98 59.83 2jpr h ARG 143 Cb 0.88 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.84 2jpr h ARG 143 CO 0.07 0.35 -0.64 1.98 -1.07 0.00 0.00 179.97 180.66 2jpr h MET 144 N 0.44 0.71 0.00 0.04 4.05 -1.08 -3.51 114.93 115.58 2jpr h MET 144 Ca 0.12 -0.51 0.00 0.00 -0.28 0.00 0.00 59.70 59.03 2jpr h MET 144 Cb 0.01 0.08 0.00 0.00 -0.80 0.00 0.00 31.60 30.89 2jpr h MET 144 CO -0.02 1.13 0.00 0.98 0.23 0.00 0.00 176.91 179.23