#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmk s THR 2 N 0.00 4.41 -0.40 2.03 2.01 -1.26 -5.01 115.64 117.42 2jmk s THR 2 Ca 0.00 -0.70 -0.15 0.00 0.31 0.00 0.00 61.69 61.16 2jmk s THR 2 Cb 0.00 -3.07 0.02 0.00 0.01 0.00 0.00 72.50 69.46 2jmk s THR 2 CO 0.00 0.22 0.29 -0.76 -0.69 0.00 0.00 174.62 173.68 2jmk s LEU 3 N -2.08 5.05 0.28 4.42 1.43 -1.26 -1.01 118.68 125.52 2jmk s LEU 3 Ca 0.25 -0.89 0.08 0.00 -1.03 0.00 0.00 54.13 52.54 2jmk s LEU 3 Cb -0.12 -2.15 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 2jmk s LEU 3 CO 0.17 -0.44 0.12 0.00 0.23 0.00 0.00 176.35 176.44 2jmk s ALA 5 N -2.28 1.50 -0.25 0.00 0.00 0.87 -0.19 121.76 121.41 2jmk s ALA 5 Ca 0.34 -0.79 -0.12 0.00 0.00 0.00 0.00 51.96 51.39 2jmk s ALA 5 Cb -0.06 -0.37 -0.05 0.00 0.00 0.00 0.00 23.12 22.64 2jmk s ALA 5 CO 0.23 0.36 0.22 1.41 0.00 0.00 0.00 175.76 177.98 2jmk s MET 6 N -0.48 4.03 -0.29 0.00 1.75 -0.42 -1.21 119.30 122.68 2jmk s MET 6 Ca 0.07 -0.20 0.03 0.00 -1.25 0.00 0.00 55.69 54.34 2jmk s MET 6 Cb -0.07 -3.60 0.07 0.00 2.84 0.00 0.00 34.83 34.08 2jmk s MET 6 CO -0.00 -0.08 -0.05 -0.47 -0.65 0.00 0.00 175.02 173.77 2jmk s TYR 7 N 1.46 3.45 -0.56 4.11 6.14 0.22 -0.99 117.35 131.19 2jmk s TYR 7 Ca 0.10 -2.55 -0.18 0.00 0.64 0.00 0.00 57.07 55.07 2jmk s TYR 7 Cb -0.15 -2.30 0.09 0.00 0.42 0.00 0.00 41.96 40.02 2jmk s TYR 7 CO 0.08 -0.90 0.64 -0.80 0.64 0.00 0.00 175.55 175.20 2jmk s ASN 8 N 1.05 6.19 -0.15 4.32 0.01 -0.31 -0.10 114.94 125.94 2jmk s ASN 8 Ca -0.02 -1.36 -0.03 0.00 -0.71 0.00 0.00 52.86 50.75 2jmk s ASN 8 Cb -0.20 -2.28 -0.03 0.00 0.41 0.00 0.00 41.25 39.16 2jmk s ASN 8 CO -0.06 -1.00 -0.05 -0.51 -1.51 0.00 0.00 177.10 173.97 2jmk s ILE 9 N 2.46 3.78 -0.40 0.60 2.07 -0.38 -0.07 121.20 129.26 2jmk s ILE 9 Ca 0.11 -0.40 0.01 0.00 -1.41 0.00 0.00 60.65 58.96 2jmk s ILE 9 Cb -0.24 -2.65 0.14 0.00 0.13 0.00 0.00 42.46 39.84 2jmk s ILE 9 CO 0.07 0.50 0.22 -0.44 -1.91 0.00 0.00 174.94 173.38 2jmk s SER 10 N 0.36 3.44 1.26 4.50 0.01 0.27 -0.12 113.70 123.42 2jmk s SER 10 Ca -0.05 -2.43 -0.18 0.00 1.31 0.00 0.00 55.95 54.60 2jmk s SER 10 Cb -0.14 -0.81 0.28 0.00 0.21 0.00 0.00 66.02 65.55 2jmk s SER 10 CO 0.03 -0.29 0.67 0.80 0.41 0.00 0.00 173.24 174.86 2jmk n MET 11 N 3.77 -3.23 -1.52 12.44 1.56 -1.26 -0.61 117.12 128.28 2jmk n MET 11 Ca 0.09 -0.94 -0.41 0.00 -0.27 0.00 0.00 57.70 56.17 2jmk n MET 11 Cb 0.36 -1.87 -0.07 0.00 2.15 0.00 0.00 33.22 33.78 2jmk n MET 11 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2jmk n ALA 12 N -5.13 0.77 -3.62 -5.12 0.00 -1.26 -1.76 120.51 104.40 2jmk n ALA 12 Ca 0.07 -0.55 -0.20 0.00 0.00 0.00 0.00 53.44 52.76 2jmk n ALA 12 Cb 0.54 -2.81 0.05 0.00 0.00 0.00 0.00 19.45 17.23 2jmk n ALA 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jmk n GLY 13 N 6.24 -0.35 0.09 0.00 0.00 -1.26 -4.90 105.19 105.00 2jmk n GLY 13 Ca 0.45 0.14 0.03 0.00 0.00 0.00 0.00 46.02 46.64 2jmk n GLY 13 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jmk n SER 14 N -3.07 1.51 -1.31 1.61 2.88 -0.72 -5.12 113.62 109.40 2jmk n SER 14 Ca -0.29 -2.16 0.16 0.00 -1.33 0.00 0.00 58.87 55.25 2jmk n SER 14 Cb 0.67 -0.16 -0.09 0.00 -0.75 0.00 0.00 64.21 63.89 2jmk n SER 14 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2jmk n HIS 15 N -0.64 -3.51 -2.22 0.66 -0.00 -1.26 -4.73 115.22 103.52 2jmk n HIS 15 Ca 0.05 1.94 -0.42 0.00 -0.00 0.00 0.00 57.72 59.29 2jmk n HIS 15 Cb 0.47 -3.20 -0.03 0.00 -0.00 0.00 0.00 29.99 27.23 2jmk n HIS 15 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 2jmk s PRO 16 N -4.12 4.37 -0.22 -0.41 0.04 -1.26 -4.35 135.00 129.05 2jmk s PRO 16 Ca 0.00 2.04 0.02 0.00 0.04 0.00 0.00 61.00 63.10 2jmk s PRO 16 Cb 0.00 -3.22 0.04 0.00 0.04 0.00 0.00 34.50 31.36 2jmk s PRO 16 CO 0.00 -0.31 -0.15 0.99 0.04 0.00 0.00 177.00 177.58 2jmk s THR 17 N 0.47 2.17 -0.54 1.26 2.01 0.83 -4.96 115.64 116.89 2jmk s THR 17 Ca 0.59 -1.27 -0.26 0.00 0.31 0.00 0.00 61.69 61.06 2jmk s THR 17 Cb -0.36 -2.10 0.03 0.00 0.01 0.00 0.00 72.50 70.08 2jmk s THR 17 CO 0.35 0.25 1.02 -0.89 -0.69 0.00 0.00 174.62 174.66 2jmk s THR 18 N 1.21 4.29 -0.29 -0.82 2.01 -1.26 -1.25 115.64 119.52 2jmk s THR 18 Ca -0.02 0.59 -0.05 0.00 0.31 0.00 0.00 61.69 62.53 2jmk s THR 18 Cb -0.17 -4.58 0.02 0.00 0.01 0.00 0.00 72.50 67.79 2jmk s THR 18 CO -0.09 -1.12 0.04 -0.63 -0.69 0.00 0.00 174.62 172.13 2jmk s ILE 19 N 4.23 3.59 -0.34 1.82 1.01 0.86 -4.96 121.20 127.41 2jmk s ILE 19 Ca 0.36 -0.87 -0.21 0.00 0.00 0.00 0.00 60.65 59.93 2jmk s ILE 19 Cb -0.10 -2.87 0.00 0.00 0.01 0.00 0.00 42.46 39.50 2jmk s ILE 19 CO 0.23 0.08 0.68 0.00 0.00 0.00 0.00 174.94 175.93 2jmk s VAL 21 N 2.81 1.85 0.55 0.00 1.01 -0.35 -4.08 120.40 122.19 2jmk s VAL 21 Ca 0.27 -0.98 -0.19 0.00 0.00 0.00 0.00 61.98 61.08 2jmk s VAL 21 Cb -0.14 -1.55 -0.08 0.00 0.00 0.00 0.00 36.38 34.61 2jmk s VAL 21 CO 0.15 0.52 0.77 0.52 0.00 0.00 0.00 175.10 177.05 2jmk n VAL 22 N 2.78 2.84 -0.02 2.92 0.31 -1.26 -0.09 118.33 125.82 2jmk n VAL 22 Ca -0.17 -0.50 -0.09 0.00 -0.01 0.00 0.00 64.34 63.57 2jmk n VAL 22 Cb 0.52 -0.92 -0.03 0.00 -0.91 0.00 0.00 33.84 32.50 2jmk n VAL 22 CO 0.00 0.00 0.00 -0.03 -1.32 0.00 0.00 176.83 175.48 2jmk h MET 23 N 0.54 -0.24 0.00 5.55 4.05 -1.27 0.13 114.93 123.68 2jmk h MET 23 Ca -0.46 0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 58.94 2jmk h MET 23 Cb 1.38 0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 32.23 2jmk h MET 23 CO 0.50 -0.16 -0.14 0.38 0.23 0.00 0.00 176.91 177.72 2jmk h ASP 24 N -0.25 0.00 -0.33 1.39 3.04 -1.90 -1.03 116.42 117.33 2jmk h ASP 24 Ca 0.11 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.90 2jmk h ASP 24 Cb 0.42 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.71 2jmk h ASP 24 CO -0.31 0.14 0.00 -1.14 -2.04 0.00 0.00 179.24 175.89 2jmk n ARG 25 N -3.77 1.95 0.27 4.15 3.00 -0.05 -4.31 116.66 117.90 2jmk n ARG 25 Ca -0.02 -1.46 -0.15 0.00 -0.00 0.00 0.00 57.85 56.22 2jmk n ARG 25 Cb 0.25 -1.37 -0.08 0.00 0.00 0.00 0.00 32.46 31.25 2jmk n ARG 25 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.63 177.98 2jmk h PHE 26 N 2.59 -0.63 -0.94 -0.14 3.04 0.56 -1.12 116.94 120.30 2jmk h PHE 26 Ca 0.00 -0.01 0.10 0.00 3.98 0.00 0.00 57.97 62.04 2jmk h PHE 26 Cb 0.58 0.21 -0.07 0.00 2.56 0.00 0.00 35.95 39.23 2jmk h PHE 26 CO 0.22 -0.32 0.61 1.25 -2.02 0.00 0.00 178.31 178.04 2jmk h LEU 27 N -0.83 0.87 0.04 0.59 5.85 -1.77 -1.32 115.31 118.74 2jmk h LEU 27 Ca -0.07 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 2jmk h LEU 27 Cb 0.58 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.46 2jmk h LEU 27 CO 0.11 0.51 -0.02 -0.33 -0.34 0.00 0.00 178.44 178.37 2jmk h GLU 28 N 0.96 -0.05 -0.27 1.25 4.39 -1.77 -0.50 114.58 118.60 2jmk h GLU 28 Ca 0.44 0.00 0.04 0.00 0.34 0.00 0.00 59.36 60.19 2jmk h GLU 28 Cb 0.40 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.03 2jmk h GLU 28 CO -0.20 0.13 0.03 1.03 -1.16 0.00 0.00 179.01 178.84 2jmk h SER 29 N -0.22 -0.04 -0.74 1.42 0.87 -0.59 -1.30 113.55 112.96 2jmk h SER 29 Ca -0.00 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.60 2jmk h SER 29 Cb 0.20 0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.20 2jmk h SER 29 CO 0.01 0.01 0.44 0.15 -0.53 0.00 0.00 176.83 176.92 2jmk h PHE 30 N 0.12 0.98 -0.04 2.24 3.57 -1.20 0.53 116.94 123.14 2jmk h PHE 30 Ca 0.12 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.64 2jmk h PHE 30 Cb 0.14 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.54 2jmk h PHE 30 CO -0.18 0.66 -0.06 1.03 -2.23 0.00 0.00 178.31 177.53 2jmk h SER 31 N 1.01 -0.19 0.35 0.41 0.87 -0.50 -1.01 113.55 114.49 2jmk h SER 31 Ca 0.27 0.04 -0.09 0.00 -1.23 0.00 0.00 61.79 60.78 2jmk h SER 31 Cb -0.03 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 2jmk h SER 31 CO -0.05 -0.09 -0.38 -0.33 -0.53 0.00 0.00 176.83 175.45 2jmk h GLU 32 N -0.09 0.05 -0.34 2.24 4.39 -1.04 -3.02 114.58 116.77 2jmk h GLU 32 Ca 0.04 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.69 2jmk h GLU 32 Cb 0.15 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 2jmk h GLU 32 CO -0.10 0.43 0.10 1.25 -1.16 0.00 0.00 179.01 179.53 2jmk h LEU 33 N 0.04 0.50 -2.66 1.33 7.12 -0.23 -1.11 115.31 120.30 2jmk h LEU 33 Ca 0.00 -0.21 0.01 0.00 0.13 0.00 0.00 57.88 57.81 2jmk h LEU 33 Cb 0.70 -0.13 -0.00 0.00 -0.53 0.00 0.00 40.66 40.70 2jmk h LEU 33 CO 0.05 0.58 0.08 0.22 -0.13 0.00 0.00 178.44 179.24 2jmk h TYR 34 N 0.39 0.00 0.00 1.25 3.20 -1.08 0.23 116.97 120.97 2jmk h TYR 34 Ca 0.11 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.98 2jmk h TYR 34 Cb 0.26 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.53 2jmk h TYR 34 CO 0.01 0.00 -0.32 -0.44 -1.64 0.00 0.00 178.16 175.77 2jmk h ASP 35 N 0.00 0.00 -0.92 -2.11 3.32 -1.42 -3.35 116.42 111.94 2jmk h ASP 35 Ca 0.01 0.00 0.09 0.00 0.02 0.00 0.00 57.03 57.15 2jmk h ASP 35 Cb 0.16 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.65 2jmk h ASP 35 CO -0.00 0.59 0.59 -0.29 -1.72 0.00 0.00 179.24 178.41 2jmk h ILE 36 N -0.86 1.00 -0.43 0.35 2.10 -1.08 -0.20 117.51 118.38 2jmk h ILE 36 Ca 0.00 -0.33 0.12 0.00 1.08 0.00 0.00 64.86 65.73 2jmk h ILE 36 Cb 0.32 -0.05 -0.02 0.00 -1.09 0.00 0.00 36.82 35.98 2jmk h ILE 36 CO 0.00 0.18 0.32 -0.29 -1.08 0.00 0.00 178.15 177.28 2jmk h ILE 37 N 0.96 0.72 -0.78 2.19 6.09 -0.74 0.11 117.51 126.06 2jmk h ILE 37 Ca 0.42 0.00 -0.43 0.00 -1.37 0.00 0.00 64.86 63.48 2jmk h ILE 37 Cb 0.35 0.77 -0.24 0.00 0.47 0.00 0.00 36.82 38.17 2jmk h ILE 37 CO -0.18 0.00 0.55 0.47 -3.07 0.00 0.00 178.15 175.92 2jmk n ASP 38 N -4.31 4.22 -3.82 2.19 8.00 -0.09 -4.89 116.55 117.85 2jmk n ASP 38 Ca 0.07 -3.30 -0.12 0.00 0.71 0.00 0.00 54.79 52.15 2jmk n ASP 38 Cb 0.52 -0.81 -0.09 0.00 -0.02 0.00 0.00 41.12 40.72 2jmk n ASP 38 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2jmk s GLU 39 N -2.66 0.61 -0.81 -1.24 2.56 0.36 -5.05 118.70 112.46 2jmk s GLU 39 Ca 0.46 -0.36 -0.05 0.00 0.00 0.00 0.00 54.97 55.02 2jmk s GLU 39 Cb 0.38 0.26 0.02 0.00 2.00 0.00 0.00 34.13 36.79 2jmk s GLU 39 CO 0.07 -0.16 2.78 0.27 -0.56 0.00 0.00 175.26 177.66 2jmk n ASN 40 N 1.22 7.08 -4.26 -1.70 0.23 -1.26 -4.83 115.26 111.74 2jmk n ASN 40 Ca -0.22 -3.02 -0.43 0.00 -0.53 0.00 0.00 54.58 50.38 2jmk n ASN 40 Cb 0.56 -1.34 -0.04 0.00 -2.08 0.00 0.00 39.78 36.89 2jmk n ASN 40 CO 0.00 0.00 0.00 -1.81 -0.93 0.00 0.00 177.26 174.52 2jmk s ASP 41 N 0.78 6.49 -0.17 0.53 1.11 -1.26 -4.86 116.67 119.28 2jmk s ASP 41 Ca 0.60 -3.01 -0.23 0.00 0.18 0.00 0.00 52.55 50.08 2jmk s ASP 41 Cb 0.29 -2.11 -0.20 0.00 1.07 0.00 0.00 42.92 41.96 2jmk s ASP 41 CO -0.13 -0.44 0.43 0.71 1.18 0.00 0.00 175.17 176.93 2jmk h THR 42 N 4.58 1.22 -0.06 -1.27 1.35 -1.98 -3.22 112.91 113.53 2jmk h THR 42 Ca 0.10 -2.14 0.02 0.00 -0.55 0.00 0.00 66.41 63.84 2jmk h THR 42 Cb 0.97 2.53 -0.00 0.00 -1.73 0.00 0.00 68.15 69.92 2jmk h THR 42 CO 0.80 0.41 0.11 0.44 -0.25 0.00 0.00 175.52 177.03 2jmk h ASP 43 N -1.00 0.00 1.16 5.36 3.32 -2.03 0.24 116.42 123.47 2jmk h ASP 43 Ca -0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.89 2jmk h ASP 43 Cb 1.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.62 2jmk h ASP 43 CO -0.10 0.00 -0.43 0.58 -1.72 0.00 0.00 179.24 177.58 2jmk h VAL 44 N 0.00 0.00 -0.22 -1.35 2.07 -1.96 -3.36 116.25 111.43 2jmk h VAL 44 Ca 0.03 -0.59 0.06 0.00 0.82 0.00 0.00 66.70 67.02 2jmk h VAL 44 Cb 0.25 1.32 -0.06 0.00 -1.52 0.00 0.00 31.29 31.28 2jmk h VAL 44 CO -0.00 0.00 -0.18 -0.03 0.02 0.00 0.00 177.57 177.38 2jmk h MET 45 N 0.00 -0.18 -0.54 1.57 1.85 -0.52 0.26 114.93 117.37 2jmk h MET 45 Ca 0.00 0.01 0.07 0.00 -0.61 0.00 0.00 59.70 59.17 2jmk h MET 45 Cb 0.79 0.04 -0.06 0.00 0.43 0.00 0.00 31.60 32.81 2jmk h MET 45 CO 0.00 -0.12 0.23 0.00 -0.40 0.00 0.00 176.91 176.62 2jmk h MET 46 N -0.18 0.42 -0.44 0.39 -0.00 -1.71 -0.19 114.93 113.23 2jmk h MET 46 Ca 0.13 -0.03 -0.06 0.00 -0.00 0.00 0.00 59.70 59.74 2jmk h MET 46 Cb 0.37 -0.10 -0.02 0.00 -0.00 0.00 0.00 31.60 31.86 2jmk h MET 46 CO -0.33 0.28 0.02 0.22 -0.00 0.00 0.00 176.91 177.10 2jmk h ASP 47 N 0.44 0.66 -0.53 -0.10 1.82 -1.55 -0.63 116.42 116.54 2jmk h ASP 47 Ca 0.26 -0.14 -0.09 0.00 -0.39 0.00 0.00 57.03 56.66 2jmk h ASP 47 Cb 0.24 -0.17 -0.02 0.00 0.68 0.00 0.00 39.33 40.06 2jmk h ASP 47 CO -0.23 0.72 -0.04 0.15 -1.61 0.00 0.00 179.24 178.23 2jmk h PHE 48 N 0.66 1.05 -0.23 0.28 3.57 0.59 0.25 116.94 123.11 2jmk h PHE 48 Ca 0.14 -0.20 -0.18 0.00 3.53 0.00 0.00 57.97 61.26 2jmk h PHE 48 Cb 0.38 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 38.85 2jmk h PHE 48 CO 0.02 0.97 -0.56 0.82 -2.23 0.00 0.00 178.31 177.33 2jmk h ILE 49 N 0.83 1.30 0.00 1.41 2.04 -0.80 -1.09 117.51 121.19 2jmk h ILE 49 Ca 0.14 -1.78 -0.09 0.00 1.00 0.00 0.00 64.86 64.13 2jmk h ILE 49 Cb 0.58 1.72 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 2jmk h ILE 49 CO 0.03 0.57 -0.43 -1.28 0.00 0.00 0.00 178.15 177.04 2jmk h SER 50 N 0.55 0.00 0.04 1.72 0.87 -1.01 0.26 113.55 115.98 2jmk h SER 50 Ca 0.01 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 2jmk h SER 50 Cb 1.15 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.11 2jmk h SER 50 CO 0.12 0.43 -0.28 0.03 -0.53 0.00 0.00 176.83 176.60 2jmk h ARG 51 N 0.00 0.11 0.00 2.24 2.47 -0.41 -3.39 114.38 115.40 2jmk h ARG 51 Ca -0.00 -0.18 -0.03 0.00 -1.26 0.00 0.00 59.98 58.51 2jmk h ARG 51 Cb 1.16 0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 29.54 2jmk h ARG 51 CO 0.06 1.06 -0.14 0.74 0.56 0.00 0.00 179.97 182.24 2jmk h PHE 52 N -0.74 0.00 -2.75 3.04 0.04 -1.27 -3.47 116.94 111.78 2jmk h PHE 52 Ca -0.05 0.00 -0.44 0.00 2.80 0.00 0.00 57.97 60.28 2jmk h PHE 52 Cb 1.19 0.00 0.05 0.00 2.20 0.00 0.00 35.95 39.39 2jmk h PHE 52 CO 0.24 1.04 0.02 0.00 -0.60 0.00 0.00 178.31 179.01 2jmk s ALA 53 N -2.24 3.75 -1.00 2.45 0.00 0.90 -4.59 121.76 121.02 2jmk s ALA 53 Ca -0.20 -1.26 -0.03 0.00 0.00 0.00 0.00 51.96 50.47 2jmk s ALA 53 Cb -0.02 -2.18 -0.04 0.00 0.00 0.00 0.00 23.12 20.88 2jmk s ALA 53 CO 0.67 -0.88 0.86 -2.13 0.00 0.00 0.00 175.76 174.28 2jmk n ARG 54 N -2.47 -3.44 -0.05 0.00 0.63 -1.26 -4.30 116.66 105.77 2jmk n ARG 54 Ca 0.08 0.78 0.00 0.00 -0.92 0.00 0.00 57.85 57.80 2jmk n ARG 54 Cb 0.60 -5.47 -0.14 0.00 0.45 0.00 0.00 32.46 27.90 2jmk n ARG 54 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 2jmk n THR 55 N -3.34 0.59 -4.26 5.15 -2.24 -1.26 -4.95 114.28 103.97 2jmk n THR 55 Ca -0.13 -0.58 -0.17 0.00 -2.27 0.00 0.00 64.05 60.90 2jmk n THR 55 Cb 0.62 -0.23 -0.09 0.00 -2.10 0.00 0.00 70.33 68.53 2jmk n THR 55 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2jmk s ASP 56 N -4.62 1.09 -0.63 3.42 1.01 -1.26 -5.05 116.67 110.63 2jmk s ASP 56 Ca -0.08 -1.60 -0.01 0.00 0.71 0.00 0.00 52.55 51.57 2jmk s ASP 56 Cb 0.08 0.47 0.48 0.00 1.01 0.00 0.00 42.92 44.96 2jmk s ASP 56 CO 0.74 -0.96 2.02 -0.62 0.21 0.00 0.00 175.17 176.56 2jmk n GLU 57 N -0.49 2.60 -4.25 8.23 1.02 -1.26 -4.95 120.64 121.54 2jmk n GLU 57 Ca 0.05 -3.21 -0.28 0.00 -0.02 0.00 0.00 57.16 53.70 2jmk n GLU 57 Cb 0.64 -2.26 -0.09 0.00 -0.02 0.00 0.00 31.44 29.71 2jmk n GLU 57 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2jmk s ILE 58 N -4.54 3.32 0.01 -3.67 -1.09 -1.26 -4.95 121.20 109.02 2jmk s ILE 58 Ca 0.63 -1.45 0.00 0.00 -2.23 0.00 0.00 60.65 57.60 2jmk s ILE 58 Cb 0.50 -2.60 0.00 0.00 -1.58 0.00 0.00 42.46 38.78 2jmk s ILE 58 CO 0.01 -0.00 0.00 0.23 -1.23 0.00 0.00 174.94 173.95 2jmk n MET 59 N 0.35 0.00 0.00 2.79 2.81 -1.26 -4.94 117.12 116.86 2jmk n MET 59 Ca -0.12 0.00 0.07 0.00 -1.81 0.00 0.00 57.70 55.84 2jmk n MET 59 Cb 0.54 0.00 0.33 0.00 -0.71 0.00 0.00 33.22 33.38 2jmk n MET 59 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 2jmk n PRO 60 N -2.85 0.09 -0.10 0.03 -0.04 -1.26 -3.46 135.00 127.41 2jmk n PRO 60 Ca 0.00 0.21 -0.20 0.00 -0.04 0.00 0.00 63.50 63.47 2jmk n PRO 60 Cb 0.00 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.89 2jmk n PRO 60 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2jmk n GLU 61 N -1.41 0.48 -0.39 0.54 1.02 -1.26 -5.02 120.64 114.60 2jmk n GLU 61 Ca 0.05 0.21 -0.27 0.00 -0.02 0.00 0.00 57.16 57.13 2jmk n GLU 61 Cb 0.15 -1.32 0.24 0.00 -0.02 0.00 0.00 31.44 30.48 2jmk n GLU 61 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2jmk n ASP 62 N -4.14 -3.30 -4.23 1.62 5.68 -1.22 -4.70 116.55 106.25 2jmk n ASP 62 Ca -0.35 -0.56 -0.18 0.00 -0.50 0.00 0.00 54.79 53.20 2jmk n ASP 62 Cb 0.71 -0.98 -0.11 0.00 -1.14 0.00 0.00 41.12 39.60 2jmk n ASP 62 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 2jmk s LYS 63 N -4.35 0.98 -0.67 0.11 2.20 -0.18 -4.91 119.74 112.92 2jmk s LYS 63 Ca 0.58 -1.19 -0.27 0.00 -0.36 0.00 0.00 55.97 54.73 2jmk s LYS 63 Cb -0.13 -0.87 0.02 0.00 -1.51 0.00 0.00 37.83 35.35 2jmk s LYS 63 CO 0.53 0.17 1.33 0.95 -0.36 0.00 0.00 175.35 177.97 2jmk s THR 64 N -2.03 3.76 -0.62 3.43 -4.23 -1.26 -0.99 115.64 113.70 2jmk s THR 64 Ca 0.07 0.54 0.26 0.00 -1.18 0.00 0.00 61.69 61.38 2jmk s THR 64 Cb -0.06 -4.72 0.29 0.00 1.34 0.00 0.00 72.50 69.35 2jmk s THR 64 CO 0.03 -1.56 1.76 1.62 -0.54 0.00 0.00 174.62 175.92 2jmk h VAL 65 N 6.18 0.00 0.00 2.29 3.04 -0.92 -3.47 116.25 123.37 2jmk h VAL 65 Ca -0.27 -0.46 0.00 0.00 -1.01 0.00 0.00 66.70 64.97 2jmk h VAL 65 Cb 1.07 1.39 0.00 0.00 -2.01 0.00 0.00 31.29 31.74 2jmk h VAL 65 CO 1.24 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 178.41 2jmk n GLY 66 N 0.93 1.38 3.11 3.17 0.00 -1.26 -1.40 105.19 111.12 2jmk n GLY 66 Ca 0.04 -0.64 -0.18 0.00 0.00 0.00 0.00 46.02 45.24 2jmk n GLY 66 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2jmk s PHE 67 N -2.00 1.05 -0.09 1.61 -0.71 0.85 -1.30 117.98 117.39 2jmk s PHE 67 Ca 0.00 -0.36 -0.00 0.00 -1.04 0.00 0.00 56.93 55.53 2jmk s PHE 67 Cb 0.00 -0.62 0.02 0.00 -1.21 0.00 0.00 43.02 41.21 2jmk s PHE 67 CO 0.00 0.01 -0.06 0.08 -1.34 0.00 0.00 175.22 173.91 2jmk s VAL 68 N -0.90 0.86 -0.34 -2.49 1.01 -0.16 -1.09 120.40 117.28 2jmk s VAL 68 Ca -0.01 -0.20 -0.15 0.00 0.00 0.00 0.00 61.98 61.62 2jmk s VAL 68 Cb -0.08 -0.90 -0.01 0.00 0.00 0.00 0.00 36.38 35.39 2jmk s VAL 68 CO 0.01 0.33 0.36 -0.69 0.00 0.00 0.00 175.10 175.11 2jmk s VAL 69 N 1.61 5.17 -0.18 2.92 1.01 0.88 -1.17 120.40 130.65 2jmk s VAL 69 Ca 0.02 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.06 2jmk s VAL 69 Cb -0.13 -3.82 0.04 0.00 0.00 0.00 0.00 36.38 32.48 2jmk s VAL 69 CO -0.06 -0.08 -0.08 -0.69 0.00 0.00 0.00 175.10 174.19 2jmk s VAL 70 N 2.01 1.38 -0.13 2.92 1.01 0.90 -1.08 120.40 127.42 2jmk s VAL 70 Ca 0.12 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.29 2jmk s VAL 70 Cb -0.17 -1.50 0.03 0.00 0.00 0.00 0.00 36.38 34.75 2jmk s VAL 70 CO 0.12 0.17 -0.06 0.20 0.00 0.00 0.00 175.10 175.53 2jmk s ASN 71 N 1.51 2.34 -0.06 3.32 0.01 -0.10 -0.56 114.94 121.40 2jmk s ASN 71 Ca 0.00 -0.40 -0.19 0.00 -0.71 0.00 0.00 52.86 51.55 2jmk s ASN 71 Cb -0.16 -0.82 -0.14 0.00 0.41 0.00 0.00 41.25 40.54 2jmk s ASN 71 CO -0.08 -0.15 0.77 0.00 -1.51 0.00 0.00 177.10 176.13 2jmk h ALA 72 N 8.17 -0.21 -0.04 0.60 0.00 -1.09 0.29 119.26 126.98 2jmk h ALA 72 Ca -0.27 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.44 2jmk h ALA 72 Cb 1.12 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 2jmk h ALA 72 CO 0.39 -0.28 -0.09 0.22 0.00 0.00 0.00 179.25 179.50 2jmk h ASP 73 N -0.90 -0.27 1.42 0.00 3.58 -1.74 -1.85 116.42 116.66 2jmk h ASP 73 Ca -0.02 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 2jmk h ASP 73 Cb 0.51 0.12 -0.00 0.00 1.72 0.00 0.00 39.33 41.68 2jmk h ASP 73 CO 0.04 -0.13 -0.03 0.11 -2.88 0.00 0.00 179.24 176.35 2jmk h LYS 74 N -0.13 0.00 -5.28 0.28 1.79 -1.89 -3.48 116.57 107.85 2jmk h LYS 74 Ca 0.05 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 58.29 2jmk h LYS 74 Cb 0.20 0.00 0.18 0.00 -1.58 0.00 0.00 32.23 31.04 2jmk h LYS 74 CO -0.12 0.03 -0.79 1.63 -1.08 0.00 0.00 179.45 179.12 2jmk n LYS 75 N -3.12 -2.08 -4.26 3.15 4.76 0.86 -5.03 118.16 112.43 2jmk n LYS 75 Ca 0.02 0.82 -0.22 0.00 -2.87 0.00 0.00 58.31 56.06 2jmk n LYS 75 Cb 0.42 -5.54 -0.17 0.00 -1.84 0.00 0.00 35.03 27.90 2jmk n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2jmk s LEU 76 N -5.21 1.38 -0.14 -0.35 1.43 -0.17 -4.20 118.68 111.43 2jmk s LEU 76 Ca 0.42 -0.20 -0.01 0.00 -1.03 0.00 0.00 54.13 53.31 2jmk s LEU 76 Cb -0.06 -0.62 0.04 0.00 0.03 0.00 0.00 46.19 45.58 2jmk s LEU 76 CO 0.69 -0.04 -0.05 -0.04 0.23 0.00 0.00 176.35 177.14 2jmk s MET 77 N 0.97 1.33 -0.04 1.70 -1.94 0.84 -0.93 119.30 121.23 2jmk s MET 77 Ca -0.10 -0.36 -0.02 0.00 -1.71 0.00 0.00 55.69 53.51 2jmk s MET 77 Cb -0.15 -1.77 0.03 0.00 2.01 0.00 0.00 34.83 34.96 2jmk s MET 77 CO 0.00 -0.38 0.08 -1.12 -0.01 0.00 0.00 175.02 173.60 2jmk s SER 78 N 1.71 0.27 -0.16 3.03 0.01 -0.24 -0.11 113.70 118.21 2jmk s SER 78 Ca 0.02 0.16 0.01 0.00 1.31 0.00 0.00 55.95 57.46 2jmk s SER 78 Cb -0.14 0.04 0.02 0.00 0.21 0.00 0.00 66.02 66.14 2jmk s SER 78 CO -0.08 -0.17 -0.20 0.68 0.41 0.00 0.00 173.24 173.89 2jmk s VAL 79 N 1.43 1.97 -0.32 3.43 -7.23 -0.19 -0.08 120.40 119.41 2jmk s VAL 79 Ca -0.05 -0.90 -0.02 0.00 -1.81 0.00 0.00 61.98 59.20 2jmk s VAL 79 Cb -0.12 -1.77 0.11 0.00 0.56 0.00 0.00 36.38 35.16 2jmk s VAL 79 CO -0.04 0.53 0.15 -0.55 -0.31 0.00 0.00 175.10 174.87 2jmk s SER 80 N 1.13 3.57 0.03 4.85 0.15 -0.25 -1.09 113.70 122.09 2jmk s SER 80 Ca 0.00 -1.71 -0.02 0.00 0.70 0.00 0.00 55.95 54.93 2jmk s SER 80 Cb -0.14 -0.57 -0.02 0.00 -1.71 0.00 0.00 66.02 63.58 2jmk s SER 80 CO -0.08 -0.39 0.01 0.72 1.20 0.00 0.00 173.24 174.69 2jmk s PHE 81 N 1.58 0.28 0.28 3.44 -0.71 -1.26 -0.10 117.98 121.48 2jmk s PHE 81 Ca 0.12 -0.59 0.01 0.00 -1.04 0.00 0.00 56.93 55.42 2jmk s PHE 81 Cb -0.19 -0.21 -0.00 0.00 -1.21 0.00 0.00 43.02 41.41 2jmk s PHE 81 CO -0.22 -0.26 0.03 0.45 -1.34 0.00 0.00 175.22 173.87 2jmk n SER 82 N 1.16 2.30 -3.00 1.98 2.88 -0.49 -4.91 113.62 113.54 2jmk n SER 82 Ca -0.21 -2.28 -0.12 0.00 -1.33 0.00 0.00 58.87 54.93 2jmk n SER 82 Cb 0.57 0.32 0.05 0.00 -0.75 0.00 0.00 64.21 64.41 2jmk n SER 82 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2jmk n ASP 83 N -1.35 -6.12 -3.43 -3.46 9.92 -1.26 -4.85 116.55 105.99 2jmk n ASP 83 Ca -0.10 -0.56 -0.16 0.00 -0.53 0.00 0.00 54.79 53.44 2jmk n ASP 83 Cb 0.37 -4.60 -0.07 0.00 -0.64 0.00 0.00 41.12 36.19 2jmk n ASP 83 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 2jmk s ILE 84 N -3.30 0.00 0.43 0.53 -4.36 -1.26 -5.02 121.20 108.21 2jmk s ILE 84 Ca 0.36 -1.81 -0.01 0.00 -0.26 0.00 0.00 60.65 58.93 2jmk s ILE 84 Cb -0.05 -2.55 -0.02 0.00 1.25 0.00 0.00 42.46 41.09 2jmk s ILE 84 CO 0.64 0.00 0.66 -1.81 0.24 0.00 0.00 174.94 174.67 2jmk s ASP 85 N -3.28 6.09 0.07 4.36 1.01 -1.26 -5.02 116.67 118.64 2jmk s ASP 85 Ca 0.36 0.52 -0.15 0.00 0.71 0.00 0.00 52.55 53.98 2jmk s ASP 85 Cb 0.02 -1.89 -0.21 0.00 1.01 0.00 0.00 42.92 41.85 2jmk s ASP 85 CO 0.22 -0.54 1.21 1.05 0.21 0.00 0.00 175.17 177.32 2jmk h GLU 86 N 0.46 0.67 0.00 8.23 4.11 -2.02 -3.17 114.58 122.86 2jmk h GLU 86 Ca -0.48 -0.64 -0.04 0.00 0.07 0.00 0.00 59.36 58.27 2jmk h GLU 86 Cb 1.23 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.64 2jmk h GLU 86 CO 0.60 1.25 -0.17 -0.91 0.07 0.00 0.00 179.01 179.84 2jmk h ASN 87 N 0.33 0.00 0.66 3.06 4.21 -2.03 -2.07 115.58 119.73 2jmk h ASN 87 Ca -0.09 0.00 -0.09 0.00 1.21 0.00 0.00 56.30 57.33 2jmk h ASN 87 Cb 1.50 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.68 2jmk h ASN 87 CO 0.17 0.17 -0.43 -0.03 -1.29 0.00 0.00 177.43 176.02 2jmk h MET 88 N 0.00 0.00 0.00 0.81 4.05 -1.96 -2.82 114.93 115.01 2jmk h MET 88 Ca -0.00 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.41 2jmk h MET 88 Cb 0.41 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.21 2jmk h MET 88 CO 0.02 0.43 -0.02 0.87 0.23 0.00 0.00 176.91 178.44 2jmk h LYS 89 N 0.00 0.00 0.43 0.39 1.79 -1.39 -0.86 116.57 116.93 2jmk h LYS 89 Ca -0.00 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.44 2jmk h LYS 89 Cb 0.87 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.52 2jmk h LYS 89 CO 0.06 0.02 -0.21 0.87 -1.08 0.00 0.00 179.45 179.11 2jmk h LYS 90 N 0.00 -0.56 -0.31 3.15 6.56 -1.62 0.25 116.57 124.04 2jmk h LYS 90 Ca -0.00 0.04 -0.11 0.00 -1.06 0.00 0.00 60.65 59.52 2jmk h LYS 90 Cb 0.06 0.13 -0.01 0.00 -0.57 0.00 0.00 32.23 31.83 2jmk h LYS 90 CO 0.00 -0.26 -0.26 -0.24 -2.06 0.00 0.00 179.45 176.64 2jmk h VAL 91 N -0.84 1.27 -0.12 0.50 3.04 -1.63 -1.06 116.25 117.40 2jmk h VAL 91 Ca -0.06 -1.34 -0.03 0.00 -1.01 0.00 0.00 66.70 64.27 2jmk h VAL 91 Cb 0.56 1.31 -0.00 0.00 -2.01 0.00 0.00 31.29 31.14 2jmk h VAL 91 CO 0.10 0.43 -0.04 0.40 -1.01 0.00 0.00 177.57 177.45 2jmk h ILE 92 N 0.55 1.30 -0.47 3.17 2.04 -1.16 -1.17 117.51 121.77 2jmk h ILE 92 Ca 0.07 -1.01 -0.05 0.00 1.00 0.00 0.00 64.86 64.88 2jmk h ILE 92 Cb 0.73 1.73 -0.02 0.00 -0.74 0.00 0.00 36.82 38.51 2jmk h ILE 92 CO 0.06 0.29 0.12 0.50 0.00 0.00 0.00 178.15 179.11 2jmk h LYS 93 N -0.09 0.75 0.01 2.37 3.64 -0.47 -0.29 116.57 122.50 2jmk h LYS 93 Ca 0.03 -0.18 -0.00 0.00 -1.27 0.00 0.00 60.65 59.23 2jmk h LYS 93 Cb 0.47 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 2jmk h LYS 93 CO 0.01 0.74 -0.01 0.00 -2.27 0.00 0.00 179.45 177.92 2jmk h ALA 94 N 0.98 -0.02 -0.61 5.00 0.00 -1.19 0.24 119.26 123.66 2jmk h ALA 94 Ca 0.15 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2jmk h ALA 94 Cb 0.32 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2jmk h ALA 94 CO 0.00 -0.48 0.20 1.15 0.00 0.00 0.00 179.25 180.13 2jmk h THR 95 N -0.09 1.23 -0.04 0.00 2.02 -1.15 -0.56 112.91 114.32 2jmk h THR 95 Ca -0.00 -0.76 -0.14 0.00 0.77 0.00 0.00 66.41 66.27 2jmk h THR 95 Cb 0.08 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 2jmk h THR 95 CO 0.00 0.30 -0.63 0.00 0.37 0.00 0.00 175.52 175.56 2jmk h ALA 96 N 1.34 0.88 -0.05 6.16 0.00 -0.80 -3.16 119.26 123.62 2jmk h ALA 96 Ca 0.20 -0.57 -0.22 0.00 0.00 0.00 0.00 54.91 54.33 2jmk h ALA 96 Cb 0.23 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2jmk h ALA 96 CO -0.01 0.76 -0.87 1.49 0.00 0.00 0.00 179.25 180.62 2jmk h GLU 97 N 0.10 0.52 -0.52 0.00 4.81 -0.04 -3.14 114.58 116.31 2jmk h GLU 97 Ca -0.01 -0.49 0.15 0.00 -0.13 0.00 0.00 59.36 58.88 2jmk h GLU 97 Cb 1.13 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.62 2jmk h GLU 97 CO 0.09 1.13 0.42 0.87 -0.73 0.00 0.00 179.01 180.79 2jmk h LYS 98 N 0.32 0.00 -0.08 1.92 1.79 -1.08 0.18 116.57 119.62 2jmk h LYS 98 Ca -0.07 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.43 2jmk h LYS 98 Cb 1.49 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 32.14 2jmk h LYS 98 CO 0.16 0.00 0.13 0.74 -1.08 0.00 0.00 179.45 179.40 2jmk h PHE 99 N 0.00 0.00 -0.94 -1.35 -1.00 -1.61 -1.61 116.94 110.42 2jmk h PHE 99 Ca 0.25 0.00 0.26 0.00 2.81 0.00 0.00 57.97 61.29 2jmk h PHE 99 Cb 1.08 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.60 2jmk h PHE 99 CO 0.00 0.00 0.67 0.87 -1.61 0.00 0.00 178.31 178.24 2jmk h LYS 100 N 0.00 0.07 -0.96 1.51 1.79 -0.71 0.27 116.57 118.53 2jmk h LYS 100 Ca 0.04 -0.00 0.16 0.00 -2.18 0.00 0.00 60.65 58.67 2jmk h LYS 100 Cb 0.31 -0.02 -0.09 0.00 -1.58 0.00 0.00 32.23 30.86 2jmk h LYS 100 CO -0.00 0.05 0.61 -0.91 -1.08 0.00 0.00 179.45 178.11 2jmk h ASN 101 N 0.07 0.73 0.00 0.86 2.35 -1.50 -2.45 115.58 115.65 2jmk h ASN 101 Ca 0.46 0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 56.23 2jmk h ASN 101 Cb 1.71 -0.08 -0.08 0.00 0.05 0.00 0.00 38.32 39.92 2jmk h ASN 101 CO -0.04 0.33 -0.49 0.29 -1.65 0.00 0.00 177.43 175.87 2jmk n LYS 102 N -4.64 0.95 -2.68 0.81 4.76 0.42 -4.91 118.16 112.88 2jmk n LYS 102 Ca 0.20 -2.52 -0.03 0.00 -2.87 0.00 0.00 58.31 53.09 2jmk n LYS 102 Cb 0.51 -1.09 0.03 0.00 -1.84 0.00 0.00 35.03 32.64 2jmk n LYS 102 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2jmk s GLY 103 N -2.57 -1.88 0.53 0.72 0.00 0.65 -4.93 107.32 99.84 2jmk s GLY 103 Ca 0.30 0.57 0.30 0.00 0.00 0.00 0.00 44.72 45.89 2jmk s GLY 103 CO -0.06 4.28 1.90 0.74 0.00 0.00 0.00 173.10 179.97 2jmk h PHE 104 N 4.29 0.04 -0.79 1.90 -1.00 -1.79 -3.30 116.94 116.28 2jmk h PHE 104 Ca -0.00 0.00 -0.48 0.00 2.81 0.00 0.00 57.97 60.30 2jmk h PHE 104 Cb 1.17 -0.01 -0.07 0.00 3.61 0.00 0.00 35.95 40.65 2jmk h PHE 104 CO -0.07 0.01 1.39 0.21 -1.61 0.00 0.00 178.31 178.24 2jmk s LYS 105 N -5.01 3.18 -0.02 1.51 2.47 -1.26 -4.93 119.74 115.67 2jmk s LYS 105 Ca -0.05 -1.16 0.07 0.00 -1.56 0.00 0.00 55.97 53.27 2jmk s LYS 105 Cb 0.21 -5.31 -0.02 0.00 -1.46 0.00 0.00 37.83 31.26 2jmk s LYS 105 CO 0.77 -2.94 -0.23 0.08 0.16 0.00 0.00 175.35 173.19 2jmk s VAL 106 N 7.49 1.81 -0.10 4.02 1.01 -1.25 -0.11 120.40 133.27 2jmk s VAL 106 Ca 0.59 -0.97 -0.07 0.00 0.00 0.00 0.00 61.98 61.53 2jmk s VAL 106 Cb -0.01 -1.50 0.03 0.00 0.00 0.00 0.00 36.38 34.90 2jmk s VAL 106 CO 0.03 0.51 0.24 -1.61 0.00 0.00 0.00 175.10 174.27 2jmk s GLU 107 N -0.50 0.24 -0.08 2.72 0.41 0.85 -4.99 118.70 117.36 2jmk s GLU 107 Ca 0.08 0.42 -0.01 0.00 -0.41 0.00 0.00 54.97 55.05 2jmk s GLU 107 Cb -0.09 0.02 0.03 0.00 -1.78 0.00 0.00 34.13 32.30 2jmk s GLU 107 CO -0.01 -0.09 -0.02 0.95 -0.49 0.00 0.00 175.26 175.61 2jmk s THR 108 N 0.64 0.51 0.29 3.63 -4.23 -1.26 -1.02 115.64 114.20 2jmk s THR 108 Ca -0.04 0.03 -0.29 0.00 -1.18 0.00 0.00 61.69 60.21 2jmk s THR 108 Cb -0.06 -0.63 -0.10 0.00 1.34 0.00 0.00 72.50 73.05 2jmk s THR 108 CO -0.04 0.28 1.28 -0.62 -0.54 0.00 0.00 174.62 174.99 2jmk s ASP 109 N 1.86 6.87 0.00 3.99 2.15 -0.25 -5.00 116.67 126.30 2jmk s ASP 109 Ca 0.04 2.55 0.09 0.00 0.43 0.00 0.00 52.55 55.66 2jmk s ASP 109 Cb -0.12 -2.63 0.52 0.00 -0.30 0.00 0.00 42.92 40.38 2jmk s ASP 109 CO -0.06 -0.48 0.97 0.80 -0.17 0.00 0.00 175.17 176.23