#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 5.27 -0.46 3.17 2.01 -1.17 -4.99 115.64 119.48 2jmk s THR 2 Ca 0.00 0.41 -0.18 0.00 0.31 0.00 0.00 61.69 62.23 2jmk s THR 2 Cb 0.00 -3.61 0.04 0.00 0.01 0.00 0.00 72.50 68.95 2jmk s THR 2 CO 0.00 0.28 0.50 -0.76 -0.69 0.00 0.00 174.62 173.95 2jmk s LEU 3 N 1.37 5.02 0.11 4.42 2.01 -1.26 -1.03 118.68 129.32 2jmk s LEU 3 Ca 0.12 -0.86 0.07 0.00 0.01 0.00 0.00 54.13 53.47 2jmk s LEU 3 Cb -0.14 -2.39 -0.04 0.00 0.01 0.00 0.00 46.19 43.63 2jmk s LEU 3 CO 0.07 -0.71 -0.08 0.00 1.01 0.00 0.00 176.35 176.64 2jmk s ALA 5 N -1.28 2.54 -0.19 0.00 0.00 0.79 -0.02 121.76 123.60 2jmk s ALA 5 Ca 0.23 -1.21 -0.12 0.00 0.00 0.00 0.00 51.96 50.86 2jmk s ALA 5 Cb -0.11 -0.69 -0.05 0.00 0.00 0.00 0.00 23.12 22.27 2jmk s ALA 5 CO 0.15 0.57 0.20 -1.64 0.00 0.00 0.00 175.76 175.03 2jmk s MET 6 N -1.41 4.21 -0.27 0.00 -1.94 -0.13 -1.35 119.30 118.41 2jmk s MET 6 Ca 0.14 -0.10 0.01 0.00 -1.71 0.00 0.00 55.69 54.04 2jmk s MET 6 Cb -0.10 -3.43 0.08 0.00 2.01 0.00 0.00 34.83 33.38 2jmk s MET 6 CO 0.05 0.26 -0.01 -0.47 -0.01 0.00 0.00 175.02 174.84 2jmk s TYR 7 N 0.44 2.68 -0.60 -0.03 6.14 0.68 -1.00 117.35 125.67 2jmk s TYR 7 Ca 0.11 -2.09 -0.19 0.00 0.64 0.00 0.00 57.07 55.54 2jmk s TYR 7 Cb -0.12 -1.94 0.10 0.00 0.42 0.00 0.00 41.96 40.42 2jmk s TYR 7 CO 0.00 -0.84 0.73 -0.80 0.64 0.00 0.00 175.55 175.28 2jmk s ASN 8 N 1.29 6.18 -0.16 4.32 0.01 -0.05 -0.19 114.94 126.34 2jmk s ASN 8 Ca 0.00 -1.37 -0.03 0.00 -0.71 0.00 0.00 52.86 50.75 2jmk s ASN 8 Cb -0.19 -2.31 -0.02 0.00 0.41 0.00 0.00 41.25 39.14 2jmk s ASN 8 CO -0.09 -1.14 -0.06 -0.51 -1.51 0.00 0.00 177.10 173.78 2jmk s ILE 9 N 2.82 3.56 -0.34 0.60 2.07 -0.41 -0.06 121.20 129.43 2jmk s ILE 9 Ca 0.13 -0.47 -0.00 0.00 -1.41 0.00 0.00 60.65 58.89 2jmk s ILE 9 Cb -0.23 -2.56 0.12 0.00 0.13 0.00 0.00 42.46 39.92 2jmk s ILE 9 CO 0.07 0.49 0.16 -0.94 -1.91 0.00 0.00 174.94 172.80 2jmk s SER 10 N 0.59 3.67 1.25 4.50 1.04 0.09 -0.50 113.70 124.35 2jmk s SER 10 Ca -0.04 -1.92 -0.17 0.00 0.48 0.00 0.00 55.95 54.30 2jmk s SER 10 Cb -0.15 -0.74 0.31 0.00 0.10 0.00 0.00 66.02 65.54 2jmk s SER 10 CO 0.03 -0.36 1.01 -0.32 0.98 0.00 0.00 173.24 174.57 2jmk s MET 11 N 1.29 -1.61 -0.58 4.02 1.75 -1.26 -0.87 119.30 122.04 2jmk s MET 11 Ca 0.13 0.39 -0.28 0.00 -1.25 0.00 0.00 55.69 54.67 2jmk s MET 11 Cb -0.20 -1.51 -0.11 0.00 2.84 0.00 0.00 34.83 35.85 2jmk s MET 11 CO -0.16 -4.07 2.45 0.00 -0.65 0.00 0.00 175.02 172.59 2jmk n ALA 12 N -5.09 0.75 -3.34 4.11 0.00 -1.26 -2.02 120.51 113.65 2jmk n ALA 12 Ca 0.08 -0.65 -0.16 0.00 0.00 0.00 0.00 53.44 52.71 2jmk n ALA 12 Cb 0.58 -2.90 0.08 0.00 0.00 0.00 0.00 19.45 17.21 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 6.18 -0.77 0.06 0.00 0.00 -1.26 -4.93 105.19 104.46 2jmk n GLY 13 Ca 0.44 0.35 0.01 0.00 0.00 0.00 0.00 46.02 46.82 2jmk n GLY 13 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jmk n SER 14 N -3.18 0.72 -1.26 1.61 3.41 -0.86 -5.14 113.62 108.92 2jmk n SER 14 Ca -0.18 -1.53 0.15 0.00 -0.26 0.00 0.00 58.87 57.05 2jmk n SER 14 Cb 0.64 -0.05 -0.08 0.00 -0.26 0.00 0.00 64.21 64.46 2jmk n SER 14 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2jmk n HIS 15 N -0.23 -3.40 -2.20 7.33 -0.00 -1.26 -4.76 115.22 110.70 2jmk n HIS 15 Ca 0.01 1.88 -0.42 0.00 -0.00 0.00 0.00 57.72 59.19 2jmk n HIS 15 Cb 0.46 -3.09 -0.03 0.00 -0.00 0.00 0.00 29.99 27.33 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 4.31 -0.25 -0.41 0.04 -1.26 -4.40 135.00 128.92 2jmk s PRO 16 Ca 0.00 2.03 -0.01 0.00 0.04 0.00 0.00 61.00 63.06 2jmk s PRO 16 Cb 0.00 -3.36 0.03 0.00 0.04 0.00 0.00 34.50 31.21 2jmk s PRO 16 CO 0.00 -0.47 -0.07 0.99 0.04 0.00 0.00 177.00 177.49 2jmk s THR 17 N 1.50 2.76 -0.53 1.26 2.01 0.34 -4.97 115.64 118.02 2jmk s THR 17 Ca 0.64 -1.07 -0.24 0.00 0.31 0.00 0.00 61.69 61.32 2jmk s THR 17 Cb -0.35 -2.41 0.04 0.00 0.01 0.00 0.00 72.50 69.79 2jmk s THR 17 CO 0.29 0.20 0.94 -0.89 -0.69 0.00 0.00 174.62 174.47 2jmk s THR 18 N 1.30 4.41 -0.24 -0.82 2.01 -1.26 -1.29 115.64 119.74 2jmk s THR 18 Ca -0.00 0.40 -0.05 0.00 0.31 0.00 0.00 61.69 62.35 2jmk s THR 18 Cb -0.17 -4.51 -0.00 0.00 0.01 0.00 0.00 72.50 67.82 2jmk s THR 18 CO -0.05 -1.05 -0.00 -0.63 -0.69 0.00 0.00 174.62 172.20 2jmk s ILE 19 N 3.91 3.59 -0.15 1.82 1.01 0.73 -4.94 121.20 127.17 2jmk s ILE 19 Ca 0.32 -0.54 -0.14 0.00 0.00 0.00 0.00 60.65 60.29 2jmk s ILE 19 Cb -0.12 -2.71 -0.05 0.00 0.01 0.00 0.00 42.46 39.60 2jmk s ILE 19 CO 0.21 0.32 0.32 0.00 0.00 0.00 0.00 174.94 175.78 2jmk s VAL 21 N 0.46 -0.03 0.56 0.00 1.01 -0.46 -4.22 120.40 117.73 2jmk s VAL 21 Ca 0.18 0.11 -0.20 0.00 0.00 0.00 0.00 61.98 62.07 2jmk s VAL 21 Cb -0.13 -0.08 -0.06 0.00 0.00 0.00 0.00 36.38 36.12 2jmk s VAL 21 CO 0.05 0.05 1.07 0.52 0.00 0.00 0.00 175.10 176.78 2jmk n VAL 22 N 3.66 3.58 -0.18 2.92 0.31 -1.26 -0.15 118.33 127.21 2jmk n VAL 22 Ca -0.20 -0.50 0.19 0.00 -0.01 0.00 0.00 64.34 63.82 2jmk n VAL 22 Cb 0.55 -1.27 0.56 0.00 -0.91 0.00 0.00 33.84 32.77 2jmk n VAL 22 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jmk h MET 23 N 0.85 0.29 0.00 5.55 -0.00 -1.52 0.35 114.93 120.45 2jmk h MET 23 Ca -0.48 -0.02 -0.17 0.00 -0.00 0.00 0.00 59.70 59.03 2jmk h MET 23 Cb 1.35 -0.07 -0.02 0.00 -0.00 0.00 0.00 31.60 32.86 2jmk h MET 23 CO 0.53 0.19 -0.79 0.22 -0.00 0.00 0.00 176.91 177.06 2jmk h ASP 24 N 0.30 0.00 -0.59 -0.10 3.58 -1.89 -3.08 116.42 114.64 2jmk h ASP 24 Ca 0.40 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.85 2jmk h ASP 24 Cb 1.13 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.18 2jmk h ASP 24 CO -0.11 0.79 0.00 0.54 -2.88 0.00 0.00 179.24 177.58 2jmk n ARG 25 N -3.55 2.45 0.21 0.28 5.12 0.86 -4.42 116.66 117.61 2jmk n ARG 25 Ca -0.00 -2.24 -0.13 0.00 -1.93 0.00 0.00 57.85 53.54 2jmk n ARG 25 Cb 0.77 -1.49 -0.08 0.00 -1.16 0.00 0.00 32.46 30.51 2jmk n ARG 25 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 2jmk h PHE 26 N 3.74 -0.52 -0.82 -1.55 3.04 -0.45 -0.93 116.94 119.46 2jmk h PHE 26 Ca 0.00 -0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.02 2jmk h PHE 26 Cb 0.85 0.17 -0.07 0.00 2.56 0.00 0.00 35.95 39.46 2jmk h PHE 26 CO 0.39 -0.19 0.48 1.25 -2.02 0.00 0.00 178.31 178.22 2jmk h LEU 27 N -0.90 0.71 -0.03 0.59 5.85 -1.78 -1.37 115.31 118.37 2jmk h LEU 27 Ca -0.06 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 2jmk h LEU 27 Cb 0.56 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 2jmk h LEU 27 CO 0.09 0.42 0.01 -0.33 -0.34 0.00 0.00 178.44 178.30 2jmk h GLU 28 N 0.83 0.04 -0.54 1.25 4.39 -1.80 -0.68 114.58 118.06 2jmk h GLU 28 Ca 0.38 -0.01 0.08 0.00 0.34 0.00 0.00 59.36 60.16 2jmk h GLU 28 Cb 0.30 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.88 2jmk h GLU 28 CO -0.22 0.18 0.19 1.03 -1.16 0.00 0.00 179.01 179.03 2jmk h SER 29 N -0.10 0.19 -0.54 1.42 0.87 -0.63 -1.32 113.55 113.43 2jmk h SER 29 Ca 0.01 0.07 -0.05 0.00 -1.23 0.00 0.00 61.79 60.59 2jmk h SER 29 Cb 0.15 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.14 2jmk h SER 29 CO -0.00 0.13 0.15 0.15 -0.53 0.00 0.00 176.83 176.72 2jmk h PHE 30 N 0.37 0.90 -0.12 2.24 3.57 -1.14 0.22 116.94 122.99 2jmk h PHE 30 Ca 0.27 -0.10 0.03 0.00 3.53 0.00 0.00 57.97 61.70 2jmk h PHE 30 Cb 0.30 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 38.75 2jmk h PHE 30 CO -0.17 0.78 -0.10 1.03 -2.23 0.00 0.00 178.31 177.62 2jmk h SER 31 N 0.76 -0.31 -0.20 0.41 0.87 -0.31 -1.08 113.55 113.69 2jmk h SER 31 Ca 0.17 0.07 -0.18 0.00 -1.23 0.00 0.00 61.79 60.62 2jmk h SER 31 Cb 0.32 0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.44 2jmk h SER 31 CO -0.00 -0.13 -0.55 -0.08 -0.53 0.00 0.00 176.83 175.54 2jmk h GLU 32 N -0.11 0.80 -0.96 2.24 4.57 -1.19 -3.14 114.58 116.79 2jmk h GLU 32 Ca 0.08 -0.50 0.12 0.00 -1.18 0.00 0.00 59.36 57.88 2jmk h GLU 32 Cb 0.23 0.06 -0.09 0.00 -0.16 0.00 0.00 28.75 28.79 2jmk h GLU 32 CO -0.19 1.13 0.59 1.25 -1.18 0.00 0.00 179.01 180.61 2jmk h LEU 33 N 0.61 0.84 -1.79 1.64 5.85 -0.18 0.29 115.31 122.57 2jmk h LEU 33 Ca 0.01 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 2jmk h LEU 33 Cb 1.14 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.06 2jmk h LEU 33 CO 0.12 0.44 -0.03 0.22 -0.34 0.00 0.00 178.44 178.84 2jmk h TYR 34 N 0.91 0.00 0.00 1.25 3.20 -1.16 0.37 116.97 121.55 2jmk h TYR 34 Ca 0.48 0.00 -0.23 0.00 3.14 0.00 0.00 58.73 62.12 2jmk h TYR 34 Cb 0.51 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.75 2jmk h TYR 34 CO -0.02 0.03 -1.26 -0.44 -1.64 0.00 0.00 178.16 174.83 2jmk h ASP 35 N 0.00 0.00 0.35 -2.11 3.32 -0.49 -3.32 116.42 114.17 2jmk h ASP 35 Ca -0.00 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.73 2jmk h ASP 35 Cb 0.41 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.92 2jmk h ASP 35 CO 0.00 0.94 -1.87 0.00 -1.72 0.00 0.00 179.24 176.60 2jmk n ILE 36 N -3.19 1.62 0.31 0.35 3.06 -0.59 -4.01 119.36 116.91 2jmk n ILE 36 Ca -0.07 -0.77 0.17 0.00 -2.50 0.00 0.00 62.75 59.59 2jmk n ILE 36 Cb 0.96 -1.14 1.00 0.00 0.54 0.00 0.00 39.64 41.00 2jmk n ILE 36 CO 0.00 0.00 0.00 -0.29 -2.50 0.00 0.00 176.55 173.76 2jmk h ILE 37 N 0.02 0.37 0.00 9.51 6.09 -0.41 -0.19 117.51 132.89 2jmk h ILE 37 Ca -0.35 -0.02 -0.06 0.00 -1.37 0.00 0.00 64.86 63.05 2jmk h ILE 37 Cb 2.04 1.01 -0.01 0.00 0.47 0.00 0.00 36.82 40.33 2jmk h ILE 37 CO 0.07 0.00 -0.30 0.44 -3.07 0.00 0.00 178.15 175.29 2jmk h ASP 38 N 0.00 0.00 -3.85 2.19 5.19 -1.70 -3.44 116.42 114.81 2jmk h ASP 38 Ca -0.00 0.00 -0.44 0.00 -0.62 0.00 0.00 57.03 55.97 2jmk h ASP 38 Cb 0.01 0.00 0.18 0.00 0.18 0.00 0.00 39.33 39.70 2jmk h ASP 38 CO 0.00 0.30 0.39 -1.61 -3.12 0.00 0.00 179.24 175.20 2jmk s GLU 39 N -3.71 0.13 0.00 3.56 8.01 -0.08 -5.04 118.70 121.56 2jmk s GLU 39 Ca -0.00 -0.48 0.00 0.00 0.01 0.00 0.00 54.97 54.50 2jmk s GLU 39 Cb 0.11 -1.79 0.00 0.00 -4.31 0.00 0.00 34.13 28.14 2jmk s GLU 39 CO 0.66 -2.75 0.00 0.27 0.01 0.00 0.00 175.26 173.45 2jmk n ASN 40 N -3.99 3.74 -4.64 -0.19 6.94 -1.26 -5.04 115.26 110.82 2jmk n ASN 40 Ca 0.16 0.00 -0.49 0.00 -0.02 0.00 0.00 54.58 54.23 2jmk n ASN 40 Cb 0.59 0.18 -0.05 0.00 -2.36 0.00 0.00 39.78 38.14 2jmk n ASN 40 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 2jmk n ASP 41 N -2.10 2.43 0.14 0.53 5.75 -1.26 -4.87 116.55 117.18 2jmk n ASP 41 Ca 0.00 1.09 0.12 0.00 -0.01 0.00 0.00 54.79 55.99 2jmk n ASP 41 Cb 0.42 -1.31 0.13 0.00 -1.03 0.00 0.00 41.12 39.34 2jmk n ASP 41 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 2jmk h THR 42 N 3.64 0.00 -0.04 2.12 2.02 -2.01 -3.30 112.91 115.34 2jmk h THR 42 Ca -0.46 -0.86 0.01 0.00 0.77 0.00 0.00 66.41 65.87 2jmk h THR 42 Cb 1.29 1.60 -0.00 0.00 -1.74 0.00 0.00 68.15 69.31 2jmk h THR 42 CO 0.84 0.00 0.09 -0.78 0.37 0.00 0.00 175.52 176.05 2jmk h ASP 43 N 0.00 0.00 0.62 4.18 3.58 -2.03 -0.22 116.42 122.56 2jmk h ASP 43 Ca 0.00 0.00 -0.22 0.00 0.42 0.00 0.00 57.03 57.23 2jmk h ASP 43 Cb 0.93 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.94 2jmk h ASP 43 CO 0.00 0.00 -1.52 1.62 -2.88 0.00 0.00 179.24 176.46 2jmk h VAL 44 N 0.00 0.68 0.00 2.25 3.04 -1.96 -3.35 116.25 116.91 2jmk h VAL 44 Ca 0.02 -2.35 0.02 0.00 -1.01 0.00 0.00 66.70 63.39 2jmk h VAL 44 Cb 0.21 2.23 -0.03 0.00 -2.01 0.00 0.00 31.29 31.69 2jmk h VAL 44 CO -0.00 0.39 -0.14 0.24 -1.01 0.00 0.00 177.57 177.04 2jmk h MET 45 N 0.00 -0.23 0.54 4.17 2.86 -1.19 0.39 114.93 121.48 2jmk h MET 45 Ca -0.21 0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.43 2jmk h MET 45 Cb 1.78 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 33.48 2jmk h MET 45 CO 0.06 -0.16 -0.45 1.98 1.06 0.00 0.00 176.91 179.41 2jmk h MET 46 N -0.24 -0.94 -0.93 1.72 -1.53 -1.72 -0.04 114.93 111.25 2jmk h MET 46 Ca 0.05 0.06 0.20 0.00 -3.44 0.00 0.00 59.70 56.58 2jmk h MET 46 Cb 0.30 0.21 -0.07 0.00 -0.55 0.00 0.00 31.60 31.49 2jmk h MET 46 CO -0.14 -0.63 0.61 0.22 0.14 0.00 0.00 176.91 177.11 2jmk h ASP 47 N -0.98 0.48 0.14 1.39 3.58 -1.67 -1.05 116.42 118.31 2jmk h ASP 47 Ca -0.06 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.43 2jmk h ASP 47 Cb 0.83 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.85 2jmk h ASP 47 CO -0.01 0.19 -0.07 0.15 -2.88 0.00 0.00 179.24 176.62 2jmk h PHE 48 N 0.48 -0.17 -0.61 0.28 3.57 -0.23 0.25 116.94 120.51 2jmk h PHE 48 Ca 0.49 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 62.07 2jmk h PHE 48 Cb 1.13 0.06 -0.06 0.00 2.79 0.00 0.00 35.95 39.86 2jmk h PHE 48 CO -0.00 0.17 0.28 0.82 -2.23 0.00 0.00 178.31 177.34 2jmk h ILE 49 N -0.53 0.86 0.00 1.41 2.04 0.04 -0.79 117.51 120.53 2jmk h ILE 49 Ca -0.02 -0.17 -0.12 0.00 1.00 0.00 0.00 64.86 65.54 2jmk h ILE 49 Cb 0.41 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 2jmk h ILE 49 CO 0.03 0.09 -0.58 -1.28 0.00 0.00 0.00 178.15 176.41 2jmk h SER 50 N 0.51 0.00 -0.14 1.72 0.87 -1.22 0.26 113.55 115.55 2jmk h SER 50 Ca 0.30 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.84 2jmk h SER 50 Cb 0.29 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 2jmk h SER 50 CO -0.25 0.58 0.02 -0.09 -0.53 0.00 0.00 176.83 176.57 2jmk h ARG 51 N 0.00 0.23 0.00 2.24 9.65 0.80 -3.37 114.38 123.93 2jmk h ARG 51 Ca -0.01 -0.06 -0.06 0.00 -1.10 0.00 0.00 59.98 58.75 2jmk h ARG 51 Cb 1.15 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.69 2jmk h ARG 51 CO 0.08 0.42 -0.57 0.74 2.80 0.00 0.00 179.97 183.44 2jmk h PHE 52 N 0.01 0.00 -3.02 2.20 0.04 -1.22 -3.45 116.94 111.49 2jmk h PHE 52 Ca 0.04 0.00 -0.57 0.00 2.80 0.00 0.00 57.97 60.24 2jmk h PHE 52 Cb 0.30 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.41 2jmk h PHE 52 CO 0.02 0.47 0.95 0.00 -0.60 0.00 0.00 178.31 179.14 2jmk s ALA 53 N -2.56 3.49 -0.14 2.45 0.00 0.93 -4.93 121.76 120.99 2jmk s ALA 53 Ca -0.16 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.08 2jmk s ALA 53 Cb 0.02 -3.71 0.02 0.00 0.00 0.00 0.00 23.12 19.45 2jmk s ALA 53 CO 0.31 -1.52 -0.14 0.50 0.00 0.00 0.00 175.76 174.92 2jmk s ARG 54 N 3.90 2.25 -1.16 0.00 3.52 -1.26 -4.20 118.95 121.99 2jmk s ARG 54 Ca 0.56 -0.54 -0.17 0.00 -0.13 0.00 0.00 55.73 55.45 2jmk s ARG 54 Cb -0.19 -2.06 -0.05 0.00 -1.56 0.00 0.00 34.95 31.09 2jmk s ARG 54 CO 0.20 -0.22 2.13 0.25 -0.81 0.00 0.00 175.30 176.85 2jmk n THR 55 N 4.73 2.77 -3.55 4.11 -2.24 -1.26 -4.80 114.28 114.04 2jmk n THR 55 Ca -0.17 -2.34 -0.08 0.00 -2.27 0.00 0.00 64.05 59.19 2jmk n THR 55 Cb 0.50 -2.47 -0.02 0.00 -2.10 0.00 0.00 70.33 66.24 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 3.91 -0.37 -1.18 3.42 1.01 -1.26 -4.97 116.67 117.22 2jmk s ASP 56 Ca 0.52 -0.11 -0.06 0.00 0.71 0.00 0.00 52.55 53.61 2jmk s ASP 56 Cb 0.14 0.46 0.01 0.00 1.01 0.00 0.00 42.92 44.54 2jmk s ASP 56 CO -0.00 -0.78 0.85 1.21 0.21 0.00 0.00 175.17 176.66 2jmk n GLU 57 N -0.33 -5.94 -4.22 8.23 2.13 -1.26 -5.00 120.64 114.26 2jmk n GLU 57 Ca -0.10 0.71 -0.34 0.00 0.66 0.00 0.00 57.16 58.09 2jmk n GLU 57 Cb 0.62 -5.32 -0.13 0.00 0.27 0.00 0.00 31.44 26.88 2jmk n GLU 57 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2jmk s ILE 58 N -3.21 3.80 0.25 6.31 1.01 -1.26 -5.11 121.20 123.00 2jmk s ILE 58 Ca 0.42 -0.37 0.08 0.00 0.00 0.00 0.00 60.65 60.78 2jmk s ILE 58 Cb -0.19 -2.69 -0.04 0.00 0.01 0.00 0.00 42.46 39.55 2jmk s ILE 58 CO 0.52 0.46 0.15 -0.04 0.00 0.00 0.00 174.94 176.03 2jmk s MET 59 N 0.78 2.77 0.33 2.79 -1.94 -1.26 -5.01 119.30 117.76 2jmk s MET 59 Ca -0.01 -1.14 0.26 0.00 -1.71 0.00 0.00 55.69 53.09 2jmk s MET 59 Cb -0.14 -2.47 1.08 0.00 2.01 0.00 0.00 34.83 35.31 2jmk s MET 59 CO 0.02 0.39 1.78 -1.00 -0.01 0.00 0.00 175.02 176.20 2jmk h PRO 60 N 1.60 0.00 -1.05 2.03 0.13 -2.01 -2.91 132.00 129.79 2jmk h PRO 60 Ca -0.47 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.21 2jmk h PRO 60 Cb 1.24 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.13 2jmk h PRO 60 CO 0.61 0.00 0.57 0.39 -0.23 0.00 0.00 178.00 179.34 2jmk n GLU 61 N -2.44 2.09 -3.43 0.86 4.71 -1.26 -4.95 120.64 116.22 2jmk n GLU 61 Ca 0.02 -2.47 -0.33 0.00 -0.01 0.00 0.00 57.16 54.36 2jmk n GLU 61 Cb 0.24 -1.97 -0.05 0.00 -1.01 0.00 0.00 31.44 28.65 2jmk n GLU 61 CO 0.00 0.00 0.00 0.16 0.09 0.00 0.00 177.13 177.38 2jmk s ASP 62 N -0.90 6.68 0.25 1.62 -4.77 -1.10 -1.42 116.67 117.01 2jmk s ASP 62 Ca 0.47 0.93 0.01 0.00 -3.30 0.00 0.00 52.55 50.66 2jmk s ASP 62 Cb 0.39 -2.23 -0.05 0.00 -1.09 0.00 0.00 42.92 39.94 2jmk s ASP 62 CO 0.06 0.02 0.11 -1.59 0.70 0.00 0.00 175.17 174.47 2jmk s LYS 63 N -2.44 1.37 -0.07 2.11 -2.85 -0.19 -4.93 119.74 112.73 2jmk s LYS 63 Ca 0.42 -1.74 -0.24 0.00 -1.00 0.00 0.00 55.97 53.42 2jmk s LYS 63 Cb -0.13 -0.09 -0.03 0.00 -2.06 0.00 0.00 37.83 35.52 2jmk s LYS 63 CO 0.20 -0.34 0.73 0.99 0.10 0.00 0.00 175.35 177.04 2jmk s THR 64 N -3.86 5.02 -0.04 3.79 2.01 -1.26 -1.18 115.64 120.11 2jmk s THR 64 Ca 0.38 1.51 0.19 0.00 0.31 0.00 0.00 61.69 64.08 2jmk s THR 64 Cb 0.07 -4.07 -0.28 0.00 0.01 0.00 0.00 72.50 68.23 2jmk s THR 64 CO 0.14 0.23 0.37 0.55 -0.69 0.00 0.00 174.62 175.22 2jmk n VAL 65 N 3.87 0.13 0.00 3.82 3.14 0.96 -4.86 118.33 125.39 2jmk n VAL 65 Ca -0.00 -0.46 0.00 0.00 -2.96 0.00 0.00 64.34 60.91 2jmk n VAL 65 Cb 0.51 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.29 2jmk n VAL 65 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2jmk n GLY 66 N 1.49 0.69 2.96 7.55 0.00 -1.26 -0.51 105.19 116.11 2jmk n GLY 66 Ca -0.06 -0.71 -0.16 0.00 0.00 0.00 0.00 46.02 45.09 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 0.46 -0.07 1.61 -0.71 0.81 -0.96 117.98 117.12 2jmk s PHE 67 Ca 0.00 -0.10 0.01 0.00 -1.04 0.00 0.00 56.93 55.80 2jmk s PHE 67 Cb 0.00 -0.30 0.02 0.00 -1.21 0.00 0.00 43.02 41.53 2jmk s PHE 67 CO 0.00 -0.01 -0.08 0.08 -1.34 0.00 0.00 175.22 173.87 2jmk s VAL 68 N -0.16 0.87 -0.29 -2.49 1.01 -0.17 -1.18 120.40 117.99 2jmk s VAL 68 Ca 0.02 -0.28 -0.08 0.00 0.00 0.00 0.00 61.98 61.63 2jmk s VAL 68 Cb -0.02 -0.85 -0.00 0.00 0.00 0.00 0.00 36.38 35.50 2jmk s VAL 68 CO -0.00 0.31 0.11 -0.69 0.00 0.00 0.00 175.10 174.83 2jmk s VAL 69 N 1.05 4.27 -0.16 2.92 1.01 0.93 -0.87 120.40 129.56 2jmk s VAL 69 Ca -0.08 -0.50 -0.00 0.00 0.00 0.00 0.00 61.98 61.40 2jmk s VAL 69 Cb -0.14 -3.16 0.03 0.00 0.00 0.00 0.00 36.38 33.11 2jmk s VAL 69 CO -0.01 0.12 -0.08 -0.69 0.00 0.00 0.00 175.10 174.44 2jmk s VAL 70 N 1.56 1.28 -0.26 2.92 1.01 0.92 -1.16 120.40 126.67 2jmk s VAL 70 Ca 0.04 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.38 2jmk s VAL 70 Cb -0.17 -1.35 0.08 0.00 0.00 0.00 0.00 36.38 34.95 2jmk s VAL 70 CO 0.04 0.25 0.05 0.20 0.00 0.00 0.00 175.10 175.65 2jmk s ASN 71 N 1.58 3.61 0.52 3.32 0.01 0.17 -0.73 114.94 123.41 2jmk s ASN 71 Ca 0.02 -1.28 0.29 0.00 -0.71 0.00 0.00 52.86 51.18 2jmk s ASN 71 Cb -0.14 -0.82 1.39 0.00 0.41 0.00 0.00 41.25 42.09 2jmk s ASN 71 CO -0.08 -0.35 2.02 0.00 -1.51 0.00 0.00 177.10 177.18 2jmk h ALA 72 N 8.12 1.16 0.03 0.60 0.00 -1.27 0.23 119.26 128.14 2jmk h ALA 72 Ca -0.15 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 2jmk h ALA 72 Cb 1.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2jmk h ALA 72 CO 0.41 0.15 -0.02 0.38 0.00 0.00 0.00 179.25 180.18 2jmk h ASP 73 N 0.00 -0.04 -0.54 0.00 2.03 -1.79 -3.25 116.42 112.83 2jmk h ASP 73 Ca -0.00 -0.55 0.00 0.00 -0.73 0.00 0.00 57.03 55.75 2jmk h ASP 73 Cb 0.43 0.01 0.00 0.00 -0.83 0.00 0.00 39.33 38.94 2jmk h ASP 73 CO 0.02 0.55 0.00 0.29 -1.03 0.00 0.00 179.24 179.07 2jmk n LYS 74 N -4.83 4.60 -4.23 4.15 5.02 -1.15 -4.93 118.16 116.79 2jmk n LYS 74 Ca -0.09 -2.94 -0.31 0.00 -2.02 0.00 0.00 58.31 52.95 2jmk n LYS 74 Cb 0.29 -2.20 -0.09 0.00 -0.02 0.00 0.00 35.03 33.01 2jmk n LYS 74 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2jmk n LYS 75 N 0.62 -0.90 -3.93 1.97 2.85 0.62 -4.89 118.16 114.50 2jmk n LYS 75 Ca 0.26 0.09 -0.35 0.00 -1.05 0.00 0.00 58.31 57.26 2jmk n LYS 75 Cb 1.12 -3.57 -0.10 0.00 -0.65 0.00 0.00 35.03 31.84 2jmk n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2jmk s LEU 76 N -7.05 3.79 -0.16 -5.58 1.43 -0.08 -3.74 118.68 107.29 2jmk s LEU 76 Ca 0.16 0.04 -0.04 0.00 -1.03 0.00 0.00 54.13 53.26 2jmk s LEU 76 Cb -0.09 -1.98 0.05 0.00 0.03 0.00 0.00 46.19 44.21 2jmk s LEU 76 CO 0.94 0.12 0.06 -0.04 0.23 0.00 0.00 176.35 177.67 2jmk s MET 77 N 0.67 0.29 -0.05 1.70 -1.94 0.88 -0.66 119.30 120.19 2jmk s MET 77 Ca 0.04 -0.14 -0.02 0.00 -1.71 0.00 0.00 55.69 53.86 2jmk s MET 77 Cb -0.13 -1.75 0.03 0.00 2.01 0.00 0.00 34.83 35.00 2jmk s MET 77 CO 0.02 -0.60 0.09 -1.12 -0.01 0.00 0.00 175.02 173.39 2jmk s SER 78 N 2.04 0.27 -0.13 3.03 0.01 -0.30 -0.27 113.70 118.34 2jmk s SER 78 Ca 0.02 0.17 0.01 0.00 1.31 0.00 0.00 55.95 57.45 2jmk s SER 78 Cb -0.16 0.04 0.02 0.00 0.21 0.00 0.00 66.02 66.13 2jmk s SER 78 CO -0.08 -0.17 -0.16 0.68 0.41 0.00 0.00 173.24 173.92 2jmk s VAL 79 N 1.44 1.63 -0.26 3.43 -7.23 0.80 -0.05 120.40 120.16 2jmk s VAL 79 Ca -0.05 -0.71 -0.04 0.00 -1.81 0.00 0.00 61.98 59.37 2jmk s VAL 79 Cb -0.12 -1.49 0.09 0.00 0.56 0.00 0.00 36.38 35.41 2jmk s VAL 79 CO -0.04 0.47 0.12 -0.94 -0.31 0.00 0.00 175.10 174.39 2jmk s SER 80 N 1.10 3.25 0.38 4.85 1.04 -0.32 -0.18 113.70 123.82 2jmk s SER 80 Ca -0.03 -1.13 0.04 0.00 0.48 0.00 0.00 55.95 55.31 2jmk s SER 80 Cb -0.14 -0.34 -0.05 0.00 0.10 0.00 0.00 66.02 65.58 2jmk s SER 80 CO -0.05 -0.42 0.07 0.72 0.98 0.00 0.00 173.24 174.55 2jmk s PHE 81 N 2.09 1.96 0.66 5.02 -0.71 -1.26 -0.13 117.98 125.60 2jmk s PHE 81 Ca 0.07 -1.02 -0.17 0.00 -1.04 0.00 0.00 56.93 54.77 2jmk s PHE 81 Cb -0.16 -1.33 -0.05 0.00 -1.21 0.00 0.00 43.02 40.27 2jmk s PHE 81 CO -0.29 -0.01 0.63 0.45 -1.34 0.00 0.00 175.22 174.66 2jmk n SER 82 N -0.94 -0.70 -4.56 1.98 2.88 0.34 -4.81 113.62 107.81 2jmk n SER 82 Ca -0.05 0.67 -0.39 0.00 -1.33 0.00 0.00 58.87 57.77 2jmk n SER 82 Cb 0.66 -1.25 -0.03 0.00 -0.75 0.00 0.00 64.21 62.85 2jmk n SER 82 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2jmk s ASP 83 N -1.36 5.39 0.54 -3.46 1.11 -1.26 -4.97 116.67 112.65 2jmk s ASP 83 Ca 0.69 0.51 0.05 0.00 0.18 0.00 0.00 52.55 53.98 2jmk s ASP 83 Cb -0.39 -2.53 0.09 0.00 1.07 0.00 0.00 42.92 41.16 2jmk s ASP 83 CO 0.54 -2.25 0.70 2.30 1.18 0.00 0.00 175.17 177.64 2jmk n ILE 84 N 7.25 0.00 -0.59 0.77 -5.35 -1.26 -5.08 119.36 115.09 2jmk n ILE 84 Ca 0.21 -1.48 -0.30 0.00 -0.27 0.00 0.00 62.75 60.91 2jmk n ILE 84 Cb 0.51 -0.73 0.21 0.00 -1.74 0.00 0.00 39.64 37.89 2jmk n ILE 84 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 2jmk n ASP 85 N -2.61 -0.91 0.09 7.28 8.00 -1.26 -4.89 116.55 122.25 2jmk n ASP 85 Ca 0.13 0.12 -0.07 0.00 0.71 0.00 0.00 54.79 55.68 2jmk n ASP 85 Cb 0.48 -1.33 0.03 0.00 -0.02 0.00 0.00 41.12 40.28 2jmk n ASP 85 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 2jmk h GLU 86 N -2.26 0.19 -1.00 -1.24 4.11 -1.99 -3.06 114.58 109.33 2jmk h GLU 86 Ca -0.52 -0.19 0.13 0.00 0.07 0.00 0.00 59.36 58.85 2jmk h GLU 86 Cb 1.30 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 30.52 2jmk h GLU 86 CO 0.44 0.90 0.62 -0.97 0.07 0.00 0.00 179.01 180.07 2jmk h ASN 87 N 0.12 0.89 0.61 3.06 -0.73 -2.02 -0.72 115.58 116.79 2jmk h ASN 87 Ca -0.03 0.06 -0.21 0.00 1.87 0.00 0.00 56.30 57.98 2jmk h ASN 87 Cb 1.40 -0.12 -0.01 0.00 0.27 0.00 0.00 38.32 39.86 2jmk h ASN 87 CO 0.12 0.45 -0.95 0.24 -0.37 0.00 0.00 177.43 176.93 2jmk h MET 88 N 0.95 0.21 -0.67 6.67 2.86 -1.93 -3.22 114.93 119.79 2jmk h MET 88 Ca 0.51 -0.25 0.08 0.00 -2.06 0.00 0.00 59.70 57.98 2jmk h MET 88 Cb 0.55 0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.24 2jmk h MET 88 CO -0.28 1.01 0.44 0.87 1.06 0.00 0.00 176.91 180.01 2jmk h LYS 89 N 0.10 0.59 0.41 1.72 1.57 -1.04 -1.20 116.57 118.72 2jmk h LYS 89 Ca -0.06 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 2jmk h LYS 89 Cb 1.61 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.78 2jmk h LYS 89 CO 0.15 0.39 -0.26 -0.22 -0.57 0.00 0.00 179.45 178.93 2jmk h LYS 90 N 0.60 -0.62 0.18 3.15 3.64 -1.45 0.24 116.57 122.32 2jmk h LYS 90 Ca 0.30 0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.71 2jmk h LYS 90 Cb 0.39 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 2jmk h LYS 90 CO -0.10 -0.41 -0.09 0.28 -2.27 0.00 0.00 179.45 176.86 2jmk h VAL 91 N -0.65 0.86 -1.00 2.00 2.07 -1.58 -0.96 116.25 116.99 2jmk h VAL 91 Ca -0.04 -0.18 0.11 0.00 0.82 0.00 0.00 66.70 67.40 2jmk h VAL 91 Cb 0.53 0.97 -0.08 0.00 -1.52 0.00 0.00 31.29 31.19 2jmk h VAL 91 CO 0.04 0.04 0.64 0.40 0.02 0.00 0.00 177.57 178.71 2jmk h ILE 92 N -0.33 0.96 -0.25 4.57 2.04 -1.19 0.49 117.51 123.80 2jmk h ILE 92 Ca -0.03 -0.36 -0.04 0.00 1.00 0.00 0.00 64.86 65.44 2jmk h ILE 92 Cb 0.26 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.16 2jmk h ILE 92 CO 0.04 0.19 0.00 0.50 0.00 0.00 0.00 178.15 178.88 2jmk h LYS 93 N 1.04 0.45 -0.00 2.37 3.64 -0.27 -0.89 116.57 122.90 2jmk h LYS 93 Ca 0.48 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 59.72 2jmk h LYS 93 Cb 0.41 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.19 2jmk h LYS 93 CO -0.24 0.61 0.00 0.00 -2.27 0.00 0.00 179.45 177.55 2jmk h ALA 94 N 0.82 0.00 -0.05 5.00 0.00 -0.39 -0.00 119.26 124.64 2jmk h ALA 94 Ca 0.07 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2jmk h ALA 94 Cb 0.41 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2jmk h ALA 94 CO 0.01 -0.45 -0.00 1.15 0.00 0.00 0.00 179.25 179.96 2jmk h THR 95 N -0.09 0.96 -0.77 0.00 2.02 -0.93 -0.01 112.91 114.10 2jmk h THR 95 Ca 0.00 -0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.18 2jmk h THR 95 Cb 0.10 0.95 -0.04 0.00 -1.74 0.00 0.00 68.15 67.42 2jmk h THR 95 CO -0.00 0.00 0.50 0.00 0.37 0.00 0.00 175.52 176.39 2jmk h ALA 96 N 1.04 1.44 -0.30 6.16 0.00 -1.09 -2.08 119.26 124.43 2jmk h ALA 96 Ca 0.02 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 2jmk h ALA 96 Cb 0.03 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2jmk h ALA 96 CO -0.04 0.52 -0.33 1.49 0.00 0.00 0.00 179.25 180.88 2jmk h GLU 97 N 1.04 0.65 -0.20 0.00 4.22 -0.53 -2.89 114.58 116.87 2jmk h GLU 97 Ca 0.28 -0.30 -0.04 0.00 0.08 0.00 0.00 59.36 59.38 2jmk h GLU 97 Cb -0.11 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 2jmk h GLU 97 CO -0.06 0.89 -0.05 0.87 -2.18 0.00 0.00 179.01 178.48 2jmk h LYS 98 N 0.55 0.30 -0.11 1.92 1.79 -0.32 -1.86 116.57 118.84 2jmk h LYS 98 Ca 0.06 -0.06 0.03 0.00 -2.18 0.00 0.00 60.65 58.51 2jmk h LYS 98 Cb 0.84 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 31.44 2jmk h LYS 98 CO 0.07 0.37 0.16 0.74 -1.08 0.00 0.00 179.45 179.71 2jmk h PHE 99 N 0.29 0.00 -0.92 -1.35 0.04 -1.24 -1.46 116.94 112.30 2jmk h PHE 99 Ca 0.06 0.00 0.26 0.00 2.80 0.00 0.00 57.97 61.10 2jmk h PHE 99 Cb 0.28 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.39 2jmk h PHE 99 CO 0.01 0.00 0.66 0.87 -0.60 0.00 0.00 178.31 179.24 2jmk h LYS 100 N 0.00 0.05 -0.94 1.51 1.57 -1.43 0.16 116.57 117.50 2jmk h LYS 100 Ca 0.05 -0.00 0.20 0.00 -1.87 0.00 0.00 60.65 59.02 2jmk h LYS 100 Cb 0.38 -0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.60 2jmk h LYS 100 CO -0.00 0.04 0.61 -0.91 -0.57 0.00 0.00 179.45 178.61 2jmk h ASN 101 N 0.06 0.56 0.00 0.86 2.35 -1.48 -2.02 115.58 115.90 2jmk h ASN 101 Ca 0.45 0.06 -0.03 0.00 -0.55 0.00 0.00 56.30 56.22 2jmk h ASN 101 Cb 1.69 -0.04 -0.07 0.00 0.05 0.00 0.00 38.32 39.94 2jmk h ASN 101 CO -0.03 0.22 -0.46 2.29 -1.65 0.00 0.00 177.43 177.80 2jmk n LYS 102 N -4.59 0.93 -2.66 0.81 2.85 0.36 -4.91 118.16 110.95 2jmk n LYS 102 Ca 0.21 -2.47 -0.03 0.00 -1.05 0.00 0.00 58.31 54.97 2jmk n LYS 102 Cb 0.64 -1.09 0.04 0.00 -0.65 0.00 0.00 35.03 33.97 2jmk n LYS 102 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2jmk n GLY 103 N -0.72 -1.82 0.45 2.58 0.00 -0.01 -4.83 105.19 100.84 2jmk n GLY 103 Ca 0.13 1.34 0.27 0.00 0.00 0.00 0.00 46.02 47.75 2jmk n GLY 103 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2jmk h PHE 104 N 4.00 0.00 -0.46 1.61 0.04 -1.77 -3.30 116.94 117.05 2jmk h PHE 104 Ca -0.04 0.00 -0.49 0.00 2.80 0.00 0.00 57.97 60.25 2jmk h PHE 104 Cb 1.18 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.29 2jmk h PHE 104 CO -0.10 0.00 1.66 1.17 -0.60 0.00 0.00 178.31 180.44 2jmk n LYS 105 N -4.28 2.05 -4.59 1.51 3.00 -1.25 -4.91 118.16 109.70 2jmk n LYS 105 Ca 0.17 -2.59 -0.33 0.00 -0.00 0.00 0.00 58.31 55.56 2jmk n LYS 105 Cb 0.89 -3.53 -0.14 0.00 0.00 0.00 0.00 35.03 32.25 2jmk n LYS 105 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2jmk s VAL 106 N 8.01 3.28 -0.16 3.15 1.01 -1.24 -0.08 120.40 134.35 2jmk s VAL 106 Ca 0.62 -0.57 -0.04 0.00 0.00 0.00 0.00 61.98 61.99 2jmk s VAL 106 Cb 0.04 -2.40 0.06 0.00 0.00 0.00 0.00 36.38 34.07 2jmk s VAL 106 CO 0.11 0.51 0.07 -1.61 0.00 0.00 0.00 175.10 174.17 2jmk s GLU 107 N 0.47 0.27 -0.22 2.72 2.02 0.62 -4.99 118.70 119.60 2jmk s GLU 107 Ca -0.07 -0.15 -0.05 0.00 0.02 0.00 0.00 54.97 54.72 2jmk s GLU 107 Cb -0.15 -1.79 -0.02 0.00 0.10 0.00 0.00 34.13 32.27 2jmk s GLU 107 CO 0.04 -0.62 -0.00 0.95 0.02 0.00 0.00 175.26 175.65 2jmk s THR 108 N 2.04 3.80 0.63 3.63 -4.23 -1.26 -0.14 115.64 120.11 2jmk s THR 108 Ca 0.01 -0.35 -0.09 0.00 -1.18 0.00 0.00 61.69 60.08 2jmk s THR 108 Cb -0.16 -2.73 -0.01 0.00 1.34 0.00 0.00 72.50 70.94 2jmk s THR 108 CO -0.08 0.41 0.99 -0.62 -0.54 0.00 0.00 174.62 174.78 2jmk s ASP 109 N 1.30 5.83 0.00 3.99 -1.08 0.75 -4.99 116.67 122.47 2jmk s ASP 109 Ca 0.04 1.11 0.11 0.00 -0.52 0.00 0.00 52.55 53.29 2jmk s ASP 109 Cb -0.15 -2.09 0.67 0.00 -1.46 0.00 0.00 42.92 39.89 2jmk s ASP 109 CO 0.00 -1.04 1.11 0.23 0.52 0.00 0.00 175.17 175.99