#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 5.23 -0.45 1.12 2.01 -1.26 -5.05 115.64 117.25 2jmk s THR 2 Ca 0.00 0.22 -0.18 0.00 0.31 0.00 0.00 61.69 62.05 2jmk s THR 2 Cb 0.00 -3.67 0.04 0.00 0.01 0.00 0.00 72.50 68.88 2jmk s THR 2 CO 0.00 0.12 0.48 -0.76 -0.69 0.00 0.00 174.62 173.77 2jmk s LEU 3 N 1.91 4.98 0.33 4.42 2.01 -1.26 -1.17 118.68 129.89 2jmk s LEU 3 Ca 0.10 -0.81 0.08 0.00 0.01 0.00 0.00 54.13 53.52 2jmk s LEU 3 Cb -0.16 -2.38 -0.04 0.00 0.01 0.00 0.00 46.19 43.61 2jmk s LEU 3 CO 0.11 -0.67 0.13 0.00 1.01 0.00 0.00 176.35 176.93 2jmk s ALA 5 N -2.41 1.30 -0.31 0.00 0.00 0.86 -0.98 121.76 120.21 2jmk s ALA 5 Ca 0.37 -0.73 -0.12 0.00 0.00 0.00 0.00 51.96 51.48 2jmk s ALA 5 Cb -0.03 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 2jmk s ALA 5 CO 0.22 0.30 0.20 -1.64 0.00 0.00 0.00 175.76 174.85 2jmk s MET 6 N -0.59 3.65 -0.34 0.00 -1.94 0.81 -0.63 119.30 120.25 2jmk s MET 6 Ca 0.05 -0.53 -0.02 0.00 -1.71 0.00 0.00 55.69 53.48 2jmk s MET 6 Cb -0.07 -3.70 0.07 0.00 2.01 0.00 0.00 34.83 33.14 2jmk s MET 6 CO 0.00 -0.33 0.08 -0.47 -0.01 0.00 0.00 175.02 174.28 2jmk s TYR 7 N 1.72 3.39 -0.53 -0.03 6.14 0.04 -1.25 117.35 126.81 2jmk s TYR 7 Ca 0.06 -2.05 -0.19 0.00 0.64 0.00 0.00 57.07 55.54 2jmk s TYR 7 Cb -0.17 -2.51 0.07 0.00 0.42 0.00 0.00 41.96 39.78 2jmk s TYR 7 CO 0.10 -0.86 0.64 1.21 0.64 0.00 0.00 175.55 177.28 2jmk s ASN 8 N 1.43 6.21 -0.16 4.32 3.84 -0.46 -0.11 114.94 130.00 2jmk s ASN 8 Ca -0.00 -1.11 -0.03 0.00 0.21 0.00 0.00 52.86 51.93 2jmk s ASN 8 Cb -0.21 -2.29 -0.02 0.00 -0.55 0.00 0.00 41.25 38.18 2jmk s ASN 8 CO -0.02 -0.96 -0.06 -0.51 -2.79 0.00 0.00 177.10 172.76 2jmk s ILE 9 N 2.60 3.59 -0.35 -5.21 2.07 -0.34 -0.05 121.20 123.50 2jmk s ILE 9 Ca 0.13 -0.46 -0.00 0.00 -1.41 0.00 0.00 60.65 58.91 2jmk s ILE 9 Cb -0.21 -2.57 0.12 0.00 0.13 0.00 0.00 42.46 39.92 2jmk s ILE 9 CO 0.10 0.48 0.16 -0.44 -1.91 0.00 0.00 174.94 173.33 2jmk s SER 10 N 0.61 3.64 0.97 4.50 0.01 0.89 -0.34 113.70 123.99 2jmk s SER 10 Ca -0.04 -1.97 -0.14 0.00 1.31 0.00 0.00 55.95 55.12 2jmk s SER 10 Cb -0.15 -0.74 0.04 0.00 0.21 0.00 0.00 66.02 65.38 2jmk s SER 10 CO 0.03 -0.36 0.31 0.80 0.41 0.00 0.00 173.24 174.43 2jmk n MET 11 N 4.39 -0.45 -1.66 12.44 1.56 -1.26 -0.62 117.12 131.51 2jmk n MET 11 Ca 0.03 -0.09 -0.52 0.00 -0.27 0.00 0.00 57.70 56.84 2jmk n MET 11 Cb 0.39 -1.80 -0.06 0.00 2.15 0.00 0.00 33.22 33.89 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 -3.67 0.47 -3.20 -5.12 0.00 -1.26 -1.74 120.51 105.99 2jmk n ALA 12 Ca 0.06 0.27 -0.14 0.00 0.00 0.00 0.00 53.44 53.63 2jmk n ALA 12 Cb 0.55 -2.40 0.07 0.00 0.00 0.00 0.00 19.45 17.68 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 4.63 -0.46 3.39 0.00 0.00 -1.26 -4.88 105.19 106.61 2jmk n GLY 13 Ca 0.27 0.17 -0.14 0.00 0.00 0.00 0.00 46.02 46.32 2jmk n GLY 13 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jmk s SER 14 N -3.95 -0.51 0.84 1.61 1.04 -0.71 -5.09 113.70 106.93 2jmk s SER 14 Ca 0.12 0.94 -0.15 0.00 0.48 0.00 0.00 55.95 57.34 2jmk s SER 14 Cb -0.02 0.96 -0.00 0.00 0.10 0.00 0.00 66.02 67.06 2jmk s SER 14 CO 0.65 -0.21 0.46 0.00 0.98 0.00 0.00 173.24 175.11 2jmk n HIS 15 N 2.63 -1.15 -2.25 5.02 -0.00 -1.26 -4.36 115.22 113.84 2jmk n HIS 15 Ca -0.14 0.29 -0.41 0.00 -0.00 0.00 0.00 57.72 57.46 2jmk n HIS 15 Cb 0.57 -1.85 -0.03 0.00 -0.00 0.00 0.00 29.99 28.68 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 -3.19 4.46 -0.24 -1.40 0.04 -1.26 -4.58 135.00 128.84 2jmk s PRO 16 Ca 0.61 2.06 -0.00 0.00 0.04 0.00 0.00 61.00 63.70 2jmk s PRO 16 Cb -0.28 -3.12 0.03 0.00 0.04 0.00 0.00 34.50 31.17 2jmk s PRO 16 CO 0.63 -0.05 -0.10 0.99 0.04 0.00 0.00 177.00 178.52 2jmk s THR 17 N -1.08 2.62 -0.53 1.26 2.01 0.54 -4.97 115.64 115.49 2jmk s THR 17 Ca 0.48 -1.09 -0.25 0.00 0.31 0.00 0.00 61.69 61.14 2jmk s THR 17 Cb -0.37 -2.32 0.04 0.00 0.01 0.00 0.00 72.50 69.86 2jmk s THR 17 CO 0.48 0.24 0.99 -0.89 -0.69 0.00 0.00 174.62 174.74 2jmk s THR 18 N 1.29 4.34 -0.41 -0.82 2.01 -1.26 -1.20 115.64 119.58 2jmk s THR 18 Ca -0.00 0.52 -0.06 0.00 0.31 0.00 0.00 61.69 62.46 2jmk s THR 18 Cb -0.16 -4.55 0.09 0.00 0.01 0.00 0.00 72.50 67.89 2jmk s THR 18 CO -0.06 -1.09 0.22 -0.63 -0.69 0.00 0.00 174.62 172.37 2jmk s ILE 19 N 4.10 3.72 -0.56 1.82 1.01 0.84 -4.96 121.20 127.17 2jmk s ILE 19 Ca 0.35 -1.72 -0.26 0.00 0.00 0.00 0.00 60.65 59.02 2jmk s ILE 19 Cb -0.11 -3.39 0.04 0.00 0.01 0.00 0.00 42.46 39.01 2jmk s ILE 19 CO 0.22 -0.58 1.03 0.00 0.00 0.00 0.00 174.94 175.61 2jmk s VAL 21 N 4.30 2.69 0.83 0.00 1.01 0.20 -4.51 120.40 124.92 2jmk s VAL 21 Ca 0.35 -0.81 -0.15 0.00 0.00 0.00 0.00 61.98 61.38 2jmk s VAL 21 Cb -0.11 -2.08 -0.00 0.00 0.00 0.00 0.00 36.38 34.19 2jmk s VAL 21 CO 0.21 0.55 0.49 0.55 0.00 0.00 0.00 175.10 176.90 2jmk n VAL 22 N 3.31 1.03 -0.03 2.92 3.14 -1.26 -0.10 118.33 127.33 2jmk n VAL 22 Ca -0.18 -0.31 -0.04 0.00 -2.96 0.00 0.00 64.34 60.85 2jmk n VAL 22 Cb 0.53 -0.70 0.18 0.00 -1.06 0.00 0.00 33.84 32.79 2jmk n VAL 22 CO 0.00 0.00 0.00 -0.03 -6.46 0.00 0.00 176.83 170.34 2jmk h MET 23 N -0.90 0.61 0.00 1.45 4.05 -1.42 0.25 114.93 118.98 2jmk h MET 23 Ca -0.45 -0.21 -0.00 0.00 -0.28 0.00 0.00 59.70 58.77 2jmk h MET 23 Cb 1.32 -0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 32.07 2jmk h MET 23 CO 0.39 0.75 -0.00 -0.44 0.23 0.00 0.00 176.91 177.84 2jmk h ASP 24 N 0.55 0.00 0.00 1.39 3.32 -1.90 -1.81 116.42 117.97 2jmk h ASP 24 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 2jmk h ASP 24 Cb 0.60 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.15 2jmk h ASP 24 CO 0.04 0.00 -0.02 0.54 -1.72 0.00 0.00 179.24 178.08 2jmk n ARG 25 N -3.90 2.04 0.25 3.56 1.74 -0.93 -4.78 116.66 114.66 2jmk n ARG 25 Ca -0.03 -1.90 -0.14 0.00 -0.77 0.00 0.00 57.85 55.00 2jmk n ARG 25 Cb 0.08 -1.18 -0.08 0.00 -1.02 0.00 0.00 32.46 30.27 2jmk n ARG 25 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 2jmk h PHE 26 N 0.00 -0.61 -0.51 -1.55 3.57 0.41 -0.85 116.94 117.39 2jmk h PHE 26 Ca 0.00 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.55 2jmk h PHE 26 Cb 0.76 0.20 -0.05 0.00 2.79 0.00 0.00 35.95 39.65 2jmk h PHE 26 CO 0.00 -0.29 0.21 1.25 -2.23 0.00 0.00 178.31 177.26 2jmk h LEU 27 N -0.93 0.26 -0.28 0.59 6.46 -1.86 -1.52 115.31 118.03 2jmk h LEU 27 Ca -0.07 0.05 0.01 0.00 -0.12 0.00 0.00 57.88 57.75 2jmk h LEU 27 Cb 0.60 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.52 2jmk h LEU 27 CO 0.11 0.18 0.16 -0.08 -0.62 0.00 0.00 178.44 178.19 2jmk h GLU 28 N 0.42 0.32 -0.24 1.25 4.81 -1.87 -0.81 114.58 118.46 2jmk h GLU 28 Ca 0.24 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.50 2jmk h GLU 28 Cb 0.22 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.48 2jmk h GLU 28 CO -0.21 0.21 -0.03 1.03 -0.73 0.00 0.00 179.01 179.27 2jmk h SER 29 N 0.32 -0.16 -0.75 1.04 0.87 -0.60 -1.33 113.55 112.94 2jmk h SER 29 Ca 0.11 0.06 0.01 0.00 -1.23 0.00 0.00 61.79 60.74 2jmk h SER 29 Cb 0.01 0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.06 2jmk h SER 29 CO -0.06 -0.05 0.49 0.15 -0.53 0.00 0.00 176.83 176.83 2jmk h PHE 30 N 0.03 0.95 -0.11 2.24 3.04 -1.04 -0.23 116.94 121.83 2jmk h PHE 30 Ca 0.12 0.02 0.03 0.00 3.98 0.00 0.00 57.97 62.11 2jmk h PHE 30 Cb 0.17 -0.32 -0.03 0.00 2.56 0.00 0.00 35.95 38.33 2jmk h PHE 30 CO -0.22 0.61 -0.05 0.77 -2.02 0.00 0.00 178.31 177.39 2jmk h SER 31 N 1.02 -0.18 -0.07 0.41 0.02 -0.50 -1.10 113.55 113.15 2jmk h SER 31 Ca 0.27 0.04 -0.08 0.00 -0.84 0.00 0.00 61.79 61.19 2jmk h SER 31 Cb -0.10 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2jmk h SER 31 CO -0.06 -0.07 -0.17 -0.33 -1.14 0.00 0.00 176.83 175.06 2jmk h GLU 32 N -0.04 0.44 -0.58 3.45 4.39 -1.01 -2.90 114.58 118.32 2jmk h GLU 32 Ca 0.06 -0.14 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 2jmk h GLU 32 Cb 0.14 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.72 2jmk h GLU 32 CO -0.14 0.60 0.30 1.25 -1.16 0.00 0.00 179.01 179.86 2jmk h LEU 33 N 0.41 0.74 -2.58 1.33 7.12 -0.37 -1.08 115.31 120.87 2jmk h LEU 33 Ca 0.07 -0.11 0.01 0.00 0.13 0.00 0.00 57.88 57.98 2jmk h LEU 33 Cb 0.54 -0.19 -0.00 0.00 -0.53 0.00 0.00 40.66 40.48 2jmk h LEU 33 CO 0.03 0.64 0.10 0.22 -0.13 0.00 0.00 178.44 179.31 2jmk h TYR 34 N 0.79 0.00 0.00 1.25 3.20 -1.01 0.80 116.97 122.00 2jmk h TYR 34 Ca 0.20 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.07 2jmk h TYR 34 Cb 0.08 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.35 2jmk h TYR 34 CO -0.01 0.00 -0.38 -0.44 -1.64 0.00 0.00 178.16 175.70 2jmk h ASP 35 N 0.00 0.00 -0.81 -2.11 3.32 -1.33 -3.37 116.42 112.12 2jmk h ASP 35 Ca 0.02 0.00 0.19 0.00 0.02 0.00 0.00 57.03 57.26 2jmk h ASP 35 Cb 0.22 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.72 2jmk h ASP 35 CO -0.00 0.61 0.55 -0.29 -1.72 0.00 0.00 179.24 178.38 2jmk h ILE 36 N -0.84 0.70 -0.19 0.35 2.10 -1.11 0.21 117.51 118.74 2jmk h ILE 36 Ca 0.00 -0.10 0.05 0.00 1.08 0.00 0.00 64.86 65.90 2jmk h ILE 36 Cb 0.38 0.39 -0.01 0.00 -1.09 0.00 0.00 36.82 36.49 2jmk h ILE 36 CO 0.00 0.05 0.14 -0.29 -1.08 0.00 0.00 178.15 176.98 2jmk h ILE 37 N 0.28 0.81 -0.27 2.19 6.09 -1.02 -0.61 117.51 124.98 2jmk h ILE 37 Ca 0.40 0.00 0.08 0.00 -1.37 0.00 0.00 64.86 63.97 2jmk h ILE 37 Cb 1.15 0.90 -0.01 0.00 0.47 0.00 0.00 36.82 39.33 2jmk h ILE 37 CO -0.11 0.00 0.20 -0.78 -3.07 0.00 0.00 178.15 174.40 2jmk h ASP 38 N 0.00 0.00 -3.09 2.19 3.58 -0.74 -3.41 116.42 114.95 2jmk h ASP 38 Ca 0.09 0.00 -0.63 0.00 0.42 0.00 0.00 57.03 56.91 2jmk h ASP 38 Cb 0.38 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 41.35 2jmk h ASP 38 CO -0.00 0.00 -0.58 -1.61 -2.88 0.00 0.00 179.24 174.17 2jmk s GLU 39 N -4.99 3.00 -0.76 0.28 2.02 -0.24 -5.03 118.70 112.98 2jmk s GLU 39 Ca -0.05 -0.65 -0.00 0.00 0.02 0.00 0.00 54.97 54.29 2jmk s GLU 39 Cb 0.18 -2.79 0.36 0.00 0.10 0.00 0.00 34.13 31.99 2jmk s GLU 39 CO 0.68 0.57 1.81 0.27 0.02 0.00 0.00 175.26 178.61 2jmk n ASN 40 N 0.37 6.88 -4.52 -0.19 0.23 -1.26 -4.97 115.26 111.80 2jmk n ASN 40 Ca -0.08 -3.81 -0.40 0.00 -0.53 0.00 0.00 54.58 49.77 2jmk n ASN 40 Cb 0.52 -0.93 -0.11 0.00 -2.08 0.00 0.00 39.78 37.18 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 -1.66 5.97 0.15 0.53 1.11 -1.26 -4.94 116.67 116.57 2jmk s ASP 41 Ca 0.51 -0.40 0.15 0.00 0.18 0.00 0.00 52.55 52.98 2jmk s ASP 41 Cb 0.42 -2.11 -0.07 0.00 1.07 0.00 0.00 42.92 42.23 2jmk s ASP 41 CO -0.36 -0.21 1.11 0.74 1.18 0.00 0.00 175.17 177.64 2jmk h THR 42 N 5.51 0.77 -0.51 -1.27 2.02 -2.00 -3.11 112.91 114.32 2jmk h THR 42 Ca -0.32 -2.25 -0.00 0.00 0.77 0.00 0.00 66.41 64.61 2jmk h THR 42 Cb 1.16 2.28 -0.03 0.00 -1.74 0.00 0.00 68.15 69.83 2jmk h THR 42 CO 0.62 0.44 0.31 0.44 0.37 0.00 0.00 175.52 177.71 2jmk h ASP 43 N 0.00 0.60 0.91 4.18 5.19 -2.03 -2.18 116.42 123.09 2jmk h ASP 43 Ca -0.09 -0.03 -0.12 0.00 -0.62 0.00 0.00 57.03 56.18 2jmk h ASP 43 Cb 1.54 -0.15 -0.02 0.00 0.18 0.00 0.00 39.33 40.88 2jmk h ASP 43 CO 0.06 0.46 -1.16 1.62 -3.12 0.00 0.00 179.24 177.10 2jmk h VAL 44 N 0.70 0.42 -0.22 -1.35 3.04 -2.00 -3.37 116.25 113.47 2jmk h VAL 44 Ca 0.19 -1.78 0.06 0.00 -1.01 0.00 0.00 66.70 64.15 2jmk h VAL 44 Cb -0.04 1.97 -0.06 0.00 -2.01 0.00 0.00 31.29 31.15 2jmk h VAL 44 CO -0.04 0.24 -0.17 -0.03 -1.01 0.00 0.00 177.57 176.56 2jmk h MET 45 N 0.00 -0.17 -0.57 4.17 -1.53 -1.32 -1.33 114.93 114.18 2jmk h MET 45 Ca -0.10 0.01 0.11 0.00 -3.44 0.00 0.00 59.70 56.28 2jmk h MET 45 Cb 1.41 0.04 -0.08 0.00 -0.55 0.00 0.00 31.60 32.42 2jmk h MET 45 CO 0.04 -0.11 0.11 0.00 0.14 0.00 0.00 176.91 177.09 2jmk h MET 46 N -0.18 0.24 -0.76 0.39 -0.00 -1.71 0.36 114.93 113.27 2jmk h MET 46 Ca 0.13 -0.01 0.03 0.00 -0.00 0.00 0.00 59.70 59.84 2jmk h MET 46 Cb 0.37 -0.05 -0.04 0.00 -0.00 0.00 0.00 31.60 31.87 2jmk h MET 46 CO -0.33 0.16 0.50 0.22 -0.00 0.00 0.00 176.91 177.46 2jmk h ASP 47 N 0.24 0.81 0.23 -0.10 1.82 -1.54 -1.04 116.42 116.84 2jmk h ASP 47 Ca 0.30 -0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.91 2jmk h ASP 47 Cb 0.43 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 40.25 2jmk h ASP 47 CO -0.39 0.57 -0.11 0.15 -1.61 0.00 0.00 179.24 177.85 2jmk h PHE 48 N 0.95 -0.28 -0.68 0.28 3.57 0.09 0.24 116.94 121.10 2jmk h PHE 48 Ca 0.30 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.88 2jmk h PHE 48 Cb 0.02 0.09 -0.07 0.00 2.79 0.00 0.00 35.95 38.79 2jmk h PHE 48 CO -0.00 0.06 0.34 0.82 -2.23 0.00 0.00 178.31 177.30 2jmk h ILE 49 N -0.66 0.87 0.00 1.41 2.04 -0.88 -0.74 117.51 119.55 2jmk h ILE 49 Ca -0.03 -0.21 -0.14 0.00 1.00 0.00 0.00 64.86 65.48 2jmk h ILE 49 Cb 0.47 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 2jmk h ILE 49 CO 0.05 0.11 -0.66 0.28 0.00 0.00 0.00 178.15 177.93 2jmk h SER 50 N 0.60 0.00 -0.15 1.72 0.02 -1.19 0.24 113.55 114.79 2jmk h SER 50 Ca 0.33 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.26 2jmk h SER 50 Cb 0.32 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 2jmk h SER 50 CO -0.25 0.66 0.03 -0.09 -1.14 0.00 0.00 176.83 176.04 2jmk h ARG 51 N 0.00 0.25 0.00 3.45 2.43 0.78 -3.36 114.38 117.93 2jmk h ARG 51 Ca -0.01 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.07 2jmk h ARG 51 Cb 1.18 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.69 2jmk h ARG 51 CO 0.09 0.42 -0.36 0.74 -1.51 0.00 0.00 179.97 179.34 2jmk h PHE 52 N 0.04 0.00 -3.07 2.20 -1.00 -1.21 -3.44 116.94 110.46 2jmk h PHE 52 Ca 0.05 0.00 -0.57 0.00 2.81 0.00 0.00 57.97 60.26 2jmk h PHE 52 Cb 0.28 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.80 2jmk h PHE 52 CO 0.01 0.29 1.12 0.00 -1.61 0.00 0.00 178.31 178.12 2jmk s ALA 53 N -2.56 3.06 0.08 2.45 0.00 0.85 -4.90 121.76 120.73 2jmk s ALA 53 Ca -0.12 0.03 -0.31 0.00 0.00 0.00 0.00 51.96 51.57 2jmk s ALA 53 Cb 0.01 -3.93 -0.06 0.00 0.00 0.00 0.00 23.12 19.14 2jmk s ALA 53 CO 0.24 -2.35 1.24 0.50 0.00 0.00 0.00 175.76 175.39 2jmk s ARG 54 N 5.01 4.41 -1.15 0.00 3.52 -1.26 -4.31 118.95 125.17 2jmk s ARG 54 Ca 0.66 1.84 -0.17 0.00 -0.13 0.00 0.00 55.73 57.93 2jmk s ARG 54 Cb -0.17 -3.32 -0.05 0.00 -1.56 0.00 0.00 34.95 29.85 2jmk s ARG 54 CO 0.32 -0.28 2.11 0.25 -0.81 0.00 0.00 175.30 176.89 2jmk n THR 55 N 3.83 2.73 -4.15 4.11 -2.24 -1.26 -4.86 114.28 112.44 2jmk n THR 55 Ca 0.09 -2.34 -0.11 0.00 -2.27 0.00 0.00 64.05 59.42 2jmk n THR 55 Cb 0.45 -2.47 -0.10 0.00 -2.10 0.00 0.00 70.33 66.11 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 3.97 1.07 0.53 3.42 1.11 -1.26 -5.13 116.67 120.37 2jmk s ASP 56 Ca 0.52 -0.96 -0.21 0.00 0.18 0.00 0.00 52.55 52.07 2jmk s ASP 56 Cb 0.14 0.10 -0.06 0.00 1.07 0.00 0.00 42.92 44.17 2jmk s ASP 56 CO 0.00 -0.45 1.17 -1.84 1.18 0.00 0.00 175.17 175.23 2jmk n GLU 57 N 0.12 1.40 -4.23 8.23 0.00 -1.26 -5.00 120.64 119.90 2jmk n GLU 57 Ca -0.13 0.52 -0.33 0.00 0.00 0.00 0.00 57.16 57.21 2jmk n GLU 57 Cb 0.60 -2.34 -0.08 0.00 0.00 0.00 0.00 31.44 29.62 2jmk n GLU 57 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 2jmk s ILE 58 N -1.35 4.40 0.19 3.84 -1.09 -1.26 -5.12 121.20 120.82 2jmk s ILE 58 Ca 0.71 -0.46 0.07 0.00 -2.23 0.00 0.00 60.65 58.74 2jmk s ILE 58 Cb -0.45 -2.96 -0.05 0.00 -1.58 0.00 0.00 42.46 37.42 2jmk s ILE 58 CO 0.50 0.41 -0.12 -0.04 -1.23 0.00 0.00 174.94 174.47 2jmk s MET 59 N -1.49 1.27 0.27 2.79 -1.94 -1.26 -5.03 119.30 113.91 2jmk s MET 59 Ca 0.19 -1.57 0.24 0.00 -1.71 0.00 0.00 55.69 52.85 2jmk s MET 59 Cb -0.12 -0.96 1.00 0.00 2.01 0.00 0.00 34.83 36.76 2jmk s MET 59 CO 0.10 0.13 1.72 -0.35 -0.01 0.00 0.00 175.02 176.61 2jmk n PRO 60 N -0.34 0.20 -0.27 2.03 -0.04 -1.26 -3.14 135.00 132.18 2jmk n PRO 60 Ca -0.08 0.43 0.17 0.00 -0.04 0.00 0.00 63.50 63.99 2jmk n PRO 60 Cb 0.61 -1.89 0.47 0.00 -0.04 0.00 0.00 33.50 32.64 2jmk n PRO 60 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2jmk h GLU 61 N 0.00 0.48 -7.01 0.54 4.81 -1.96 -3.40 114.58 108.04 2jmk h GLU 61 Ca 0.00 -0.03 -0.45 0.00 -0.13 0.00 0.00 59.36 58.75 2jmk h GLU 61 Cb 0.36 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 2jmk h GLU 61 CO 0.00 0.32 0.35 0.16 -0.73 0.00 0.00 179.01 179.11 2jmk s ASP 62 N -5.61 6.97 0.15 1.04 1.47 -1.19 -4.00 116.67 115.50 2jmk s ASP 62 Ca -0.09 1.78 0.08 0.00 1.18 0.00 0.00 52.55 55.50 2jmk s ASP 62 Cb 0.23 -2.56 -0.04 0.00 -0.34 0.00 0.00 42.92 40.21 2jmk s ASP 62 CO 0.79 -0.34 -0.18 -0.54 0.68 0.00 0.00 175.17 175.58 2jmk s LYS 63 N -2.84 1.20 -0.26 2.11 1.02 -0.32 -4.95 119.74 115.70 2jmk s LYS 63 Ca 0.59 -1.33 -0.28 0.00 0.02 0.00 0.00 55.97 54.96 2jmk s LYS 63 Cb -0.13 -1.25 0.01 0.00 -0.52 0.00 0.00 37.83 35.94 2jmk s LYS 63 CO 0.18 0.26 1.02 0.99 -0.92 0.00 0.00 175.35 176.87 2jmk s THR 64 N -1.94 4.65 -0.02 2.17 2.01 -1.26 -1.12 115.64 120.14 2jmk s THR 64 Ca 0.13 1.87 0.03 0.00 0.31 0.00 0.00 61.69 64.03 2jmk s THR 64 Cb -0.06 -4.32 -0.05 0.00 0.01 0.00 0.00 72.50 68.08 2jmk s THR 64 CO 0.05 -0.26 0.05 0.55 -0.69 0.00 0.00 174.62 174.33 2jmk n VAL 65 N 5.48 0.09 -3.60 3.82 3.14 -0.16 -4.96 118.33 122.14 2jmk n VAL 65 Ca 0.11 -0.10 -0.19 0.00 -2.96 0.00 0.00 64.34 61.20 2jmk n VAL 65 Cb 0.47 -0.10 -0.15 0.00 -1.06 0.00 0.00 33.84 32.99 2jmk n VAL 65 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 2jmk s GLY 66 N -2.80 0.08 -0.11 7.55 0.00 -1.24 -0.76 107.32 110.05 2jmk s GLY 66 Ca -0.01 0.32 0.02 0.00 0.00 0.00 0.00 44.72 45.04 2jmk s GLY 66 CO 0.14 1.84 -0.16 -0.12 0.00 0.00 0.00 173.10 174.80 2jmk s PHE 67 N 2.28 2.72 -0.05 1.90 2.19 -0.35 -0.14 117.98 126.54 2jmk s PHE 67 Ca 0.04 -0.66 0.02 0.00 0.33 0.00 0.00 56.93 56.66 2jmk s PHE 67 Cb -0.14 -1.77 0.01 0.00 -1.31 0.00 0.00 43.02 39.81 2jmk s PHE 67 CO -0.08 -0.20 -0.10 0.08 1.83 0.00 0.00 175.22 176.75 2jmk s VAL 68 N 0.17 0.89 -0.22 3.12 1.01 -0.38 -1.11 120.40 123.88 2jmk s VAL 68 Ca -0.09 -0.37 -0.06 0.00 0.00 0.00 0.00 61.98 61.46 2jmk s VAL 68 Cb -0.15 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.38 2jmk s VAL 68 CO 0.06 0.29 0.03 -0.69 0.00 0.00 0.00 175.10 174.78 2jmk s VAL 69 N 0.53 4.08 -0.19 2.92 1.01 0.60 -1.36 120.40 127.98 2jmk s VAL 69 Ca -0.10 -0.26 -0.03 0.00 0.00 0.00 0.00 61.98 61.59 2jmk s VAL 69 Cb -0.13 -2.87 0.06 0.00 0.00 0.00 0.00 36.38 33.44 2jmk s VAL 69 CO 0.02 0.40 0.04 -0.69 0.00 0.00 0.00 175.10 174.87 2jmk s VAL 70 N 1.24 0.43 -0.35 2.92 1.01 0.92 -0.21 120.40 126.37 2jmk s VAL 70 Ca 0.04 -0.51 -0.00 0.00 0.00 0.00 0.00 61.98 61.51 2jmk s VAL 70 Cb -0.15 -0.97 0.11 0.00 0.00 0.00 0.00 36.38 35.38 2jmk s VAL 70 CO 0.02 -0.23 0.15 0.20 0.00 0.00 0.00 175.10 175.25 2jmk s ASN 71 N 1.90 3.74 0.55 3.32 0.01 0.04 -0.08 114.94 124.42 2jmk s ASN 71 Ca -0.00 -1.94 0.31 0.00 -0.71 0.00 0.00 52.86 50.52 2jmk s ASN 71 Cb -0.17 -0.79 1.59 0.00 0.41 0.00 0.00 41.25 42.29 2jmk s ASN 71 CO -0.08 -0.36 2.10 0.00 -1.51 0.00 0.00 177.10 177.24 2jmk h ALA 72 N 7.61 1.17 0.22 0.60 0.00 -1.09 0.23 119.26 128.00 2jmk h ALA 72 Ca -0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2jmk h ALA 72 Cb 0.98 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2jmk h ALA 72 CO 0.44 0.10 -0.10 0.38 0.00 0.00 0.00 179.25 180.07 2jmk h ASP 73 N 0.00 -0.25 -0.65 0.00 2.03 -1.71 -3.10 116.42 112.74 2jmk h ASP 73 Ca -0.00 -0.15 0.00 0.00 -0.73 0.00 0.00 57.03 56.14 2jmk h ASP 73 Cb 0.32 0.06 0.00 0.00 -0.83 0.00 0.00 39.33 38.89 2jmk h ASP 73 CO 0.01 0.02 0.00 0.29 -1.03 0.00 0.00 179.24 178.53 2jmk n LYS 74 N -5.12 2.54 -3.93 4.15 4.76 -1.12 -4.84 118.16 114.60 2jmk n LYS 74 Ca -0.09 -2.40 -0.29 0.00 -2.87 0.00 0.00 58.31 52.67 2jmk n LYS 74 Cb 0.21 -1.52 0.01 0.00 -1.84 0.00 0.00 35.03 31.89 2jmk n LYS 74 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2jmk n LYS 75 N 1.46 -4.70 -3.85 1.97 5.02 0.64 -4.95 118.16 113.74 2jmk n LYS 75 Ca 0.22 0.54 -0.36 0.00 -2.02 0.00 0.00 58.31 56.69 2jmk n LYS 75 Cb 0.57 -5.23 -0.13 0.00 -0.02 0.00 0.00 35.03 30.22 2jmk n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2jmk s LEU 76 N -7.11 3.50 -0.11 -0.35 1.43 -0.19 -3.02 118.68 112.83 2jmk s LEU 76 Ca 0.45 -0.74 0.01 0.00 -1.03 0.00 0.00 54.13 52.81 2jmk s LEU 76 Cb -0.23 -1.78 0.02 0.00 0.03 0.00 0.00 46.19 44.23 2jmk s LEU 76 CO 0.85 -0.15 -0.13 -0.04 0.23 0.00 0.00 176.35 177.11 2jmk s MET 77 N 1.43 2.05 0.03 1.70 -1.94 0.39 -0.78 119.30 122.17 2jmk s MET 77 Ca 0.02 -0.49 -0.02 0.00 -1.71 0.00 0.00 55.69 53.49 2jmk s MET 77 Cb -0.17 -1.81 -0.02 0.00 2.01 0.00 0.00 34.83 34.84 2jmk s MET 77 CO -0.01 -0.11 0.01 -1.12 -0.01 0.00 0.00 175.02 173.78 2jmk s SER 78 N 1.15 0.26 -0.08 3.03 0.01 0.71 -0.73 113.70 118.05 2jmk s SER 78 Ca -0.04 -0.57 -0.03 0.00 1.31 0.00 0.00 55.95 56.62 2jmk s SER 78 Cb -0.14 0.15 0.04 0.00 0.21 0.00 0.00 66.02 66.28 2jmk s SER 78 CO -0.03 -0.40 0.17 -0.69 0.41 0.00 0.00 173.24 172.70 2jmk s VAL 79 N -2.09 -0.10 -0.26 3.43 1.01 -0.22 -0.29 120.40 121.87 2jmk s VAL 79 Ca -0.10 0.21 -0.01 0.00 0.00 0.00 0.00 61.98 62.08 2jmk s VAL 79 Cb -0.05 -0.28 0.14 0.00 0.00 0.00 0.00 36.38 36.19 2jmk s VAL 79 CO -0.03 0.09 0.35 -0.55 0.00 0.00 0.00 175.10 174.96 2jmk s SER 80 N 1.42 0.67 0.29 3.32 0.15 -0.27 -0.15 113.70 119.15 2jmk s SER 80 Ca -0.07 -0.16 0.03 0.00 0.70 0.00 0.00 55.95 56.45 2jmk s SER 80 Cb -0.12 0.92 -0.06 0.00 -1.71 0.00 0.00 66.02 65.06 2jmk s SER 80 CO -0.06 -0.33 0.08 0.72 1.20 0.00 0.00 173.24 174.84 2jmk s PHE 81 N 2.49 1.75 0.08 3.44 -0.12 -1.26 -1.21 117.98 123.14 2jmk s PHE 81 Ca 0.11 -1.08 -0.36 0.00 -0.05 0.00 0.00 56.93 55.55 2jmk s PHE 81 Cb -0.14 -1.09 -0.15 0.00 -0.63 0.00 0.00 43.02 41.01 2jmk s PHE 81 CO -0.22 -0.17 1.51 0.45 -0.05 0.00 0.00 175.22 176.73 2jmk n SER 82 N -0.59 2.44 -4.51 1.98 2.88 0.06 -4.77 113.62 111.11 2jmk n SER 82 Ca -0.01 1.09 -0.45 0.00 -1.33 0.00 0.00 58.87 58.17 2jmk n SER 82 Cb 0.66 -1.30 -0.06 0.00 -0.75 0.00 0.00 64.21 62.76 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 3.39 2.22 -3.62 -3.46 9.92 -1.26 -4.93 116.55 118.82 2jmk n ASP 83 Ca 0.19 0.13 -0.12 0.00 -0.53 0.00 0.00 54.79 54.46 2jmk n ASP 83 Cb 0.23 -1.36 0.02 0.00 -0.64 0.00 0.00 41.12 39.38 2jmk n ASP 83 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 2jmk n ILE 84 N 7.53 0.00 -1.55 0.53 -5.35 -1.26 -5.07 119.36 114.20 2jmk n ILE 84 Ca 0.40 -1.13 -0.39 0.00 -0.27 0.00 0.00 62.75 61.36 2jmk n ILE 84 Cb 0.33 -0.55 0.03 0.00 -1.74 0.00 0.00 39.64 37.71 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 -2.36 0.17 -0.20 7.28 8.00 -1.26 -4.80 116.55 123.38 2jmk n ASP 85 Ca 0.05 0.86 -0.08 0.00 0.71 0.00 0.00 54.79 56.33 2jmk n ASP 85 Cb 0.34 -1.28 0.05 0.00 -0.02 0.00 0.00 41.12 40.21 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 0.76 1.04 -0.65 -1.24 4.11 -1.98 -1.67 114.58 114.94 2jmk h GLU 86 Ca -0.45 -0.33 0.12 0.00 0.07 0.00 0.00 59.36 58.77 2jmk h GLU 86 Cb 1.37 -0.10 -0.09 0.00 0.50 0.00 0.00 28.75 30.44 2jmk h GLU 86 CO 0.51 1.02 0.19 -0.91 0.07 0.00 0.00 179.01 179.89 2jmk h ASN 87 N 0.95 0.10 1.02 3.06 4.21 -2.02 -0.06 115.58 122.83 2jmk h ASN 87 Ca 0.17 0.11 -0.14 0.00 1.21 0.00 0.00 56.30 57.65 2jmk h ASN 87 Cb 0.56 0.13 -0.02 0.00 -1.12 0.00 0.00 38.32 37.86 2jmk h ASN 87 CO 0.03 0.04 -0.67 -0.03 -1.29 0.00 0.00 177.43 175.51 2jmk h MET 88 N 0.32 0.00 -0.85 0.81 4.05 -1.90 -3.25 114.93 114.12 2jmk h MET 88 Ca 0.35 0.00 0.07 0.00 -0.28 0.00 0.00 59.70 59.83 2jmk h MET 88 Cb 0.51 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 31.25 2jmk h MET 88 CO -0.40 0.67 0.52 -0.22 0.23 0.00 0.00 176.91 177.72 2jmk h LYS 89 N 0.00 0.91 -0.28 0.39 3.11 -0.05 -1.30 116.57 119.36 2jmk h LYS 89 Ca -0.01 -0.05 0.01 0.00 -2.81 0.00 0.00 60.65 57.79 2jmk h LYS 89 Cb 1.36 -0.21 -0.02 0.00 -1.00 0.00 0.00 32.23 32.37 2jmk h LYS 89 CO 0.09 0.60 0.17 -0.22 -2.81 0.00 0.00 179.45 177.28 2jmk h LYS 90 N 0.94 0.34 0.60 1.90 1.63 -1.45 0.24 116.57 120.77 2jmk h LYS 90 Ca 0.38 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 60.13 2jmk h LYS 90 Cb 0.21 -0.08 0.01 0.00 -0.60 0.00 0.00 32.23 31.77 2jmk h LYS 90 CO -0.19 0.22 -0.29 0.28 -3.45 0.00 0.00 179.45 176.03 2jmk h VAL 91 N 0.35 0.41 0.36 2.00 2.07 -1.53 0.94 116.25 120.85 2jmk h VAL 91 Ca 0.11 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 2jmk h VAL 91 Cb -0.01 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 2jmk h VAL 91 CO -0.04 0.00 -0.28 0.40 0.02 0.00 0.00 177.57 177.67 2jmk h ILE 92 N -0.82 0.41 -0.75 4.57 2.04 -1.18 -0.25 117.51 121.53 2jmk h ILE 92 Ca -0.08 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.91 2jmk h ILE 92 Cb 0.62 0.41 -0.05 0.00 -0.74 0.00 0.00 36.82 37.06 2jmk h ILE 92 CO 0.13 0.00 0.50 0.50 0.00 0.00 0.00 178.15 179.29 2jmk h LYS 93 N -0.65 0.47 -0.02 2.37 3.64 -0.51 -0.70 116.57 121.18 2jmk h LYS 93 Ca -0.03 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2jmk h LYS 93 Cb 0.56 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2jmk h LYS 93 CO -0.01 0.31 -0.01 0.00 -2.27 0.00 0.00 179.45 177.47 2jmk h ALA 94 N 1.64 0.02 -0.50 5.00 0.00 -0.16 0.23 119.26 125.50 2jmk h ALA 94 Ca 0.37 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2jmk h ALA 94 Cb 0.75 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2jmk h ALA 94 CO -0.13 -0.26 0.30 1.15 0.00 0.00 0.00 179.25 180.32 2jmk h THR 95 N -0.38 1.14 0.03 0.00 2.02 -0.26 0.25 112.91 115.72 2jmk h THR 95 Ca 0.00 -0.31 -0.07 0.00 0.77 0.00 0.00 66.41 66.80 2jmk h THR 95 Cb 0.43 0.44 0.01 0.00 -1.74 0.00 0.00 68.15 67.28 2jmk h THR 95 CO 0.00 0.15 -0.31 0.00 0.37 0.00 0.00 175.52 175.73 2jmk h ALA 96 N 1.65 -0.00 0.00 6.16 0.00 -1.10 -3.28 119.26 122.69 2jmk h ALA 96 Ca 0.18 -0.53 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 2jmk h ALA 96 Cb -0.03 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2jmk h ALA 96 CO -0.03 0.13 -0.13 0.93 0.00 0.00 0.00 179.25 180.14 2jmk h GLU 97 N -0.61 0.00 0.00 0.00 5.08 -0.33 -2.24 114.58 116.48 2jmk h GLU 97 Ca -0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2jmk h GLU 97 Cb 1.15 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 2jmk h GLU 97 CO 0.06 0.13 -0.04 0.87 -1.00 0.00 0.00 179.01 179.03 2jmk h LYS 98 N 0.00 0.00 -0.27 2.33 1.79 -0.56 -1.70 116.57 118.16 2jmk h LYS 98 Ca -0.00 0.00 0.08 0.00 -2.18 0.00 0.00 60.65 58.55 2jmk h LYS 98 Cb 0.39 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.03 2jmk h LYS 98 CO 0.02 0.04 0.29 0.74 -1.08 0.00 0.00 179.45 179.46 2jmk h PHE 99 N 0.00 0.00 0.00 -1.35 -1.00 -1.52 0.16 116.94 113.23 2jmk h PHE 99 Ca -0.00 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.75 2jmk h PHE 99 Cb 0.10 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.66 2jmk h PHE 99 CO 0.00 0.00 -0.12 1.57 -1.61 0.00 0.00 178.31 178.15 2jmk h LYS 100 N 0.00 0.00 -0.93 1.51 5.09 -1.42 -2.49 116.57 118.33 2jmk h LYS 100 Ca 0.13 0.00 0.17 0.00 0.09 0.00 0.00 60.65 61.04 2jmk h LYS 100 Cb 0.71 0.00 -0.08 0.00 0.10 0.00 0.00 32.23 32.96 2jmk h LYS 100 CO -0.00 0.12 0.59 -0.91 -2.09 0.00 0.00 179.45 177.16 2jmk h ASN 101 N 0.00 0.64 1.67 7.07 -0.26 -0.86 0.24 115.58 124.08 2jmk h ASN 101 Ca -0.00 0.05 -0.05 0.00 -0.56 0.00 0.00 56.30 55.74 2jmk h ASN 101 Cb 0.27 -0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 37.45 2jmk h ASN 101 CO 0.02 0.29 -0.33 0.50 -1.06 0.00 0.00 177.43 176.84 2jmk h LYS 102 N 0.66 0.00 0.00 0.81 3.11 -1.62 -3.47 116.57 116.06 2jmk h LYS 102 Ca 0.48 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.32 2jmk h LYS 102 Cb 0.86 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.09 2jmk h LYS 102 CO -0.24 0.20 0.00 0.41 -2.81 0.00 0.00 179.45 177.01 2jmk n GLY 103 N 1.17 0.69 3.04 5.01 0.00 0.83 -5.14 105.19 110.79 2jmk n GLY 103 Ca 0.02 -0.07 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 2jmk n GLY 103 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jmk s PHE 104 N -0.68 1.17 -0.30 1.61 0.08 -1.23 -5.02 117.98 113.61 2jmk s PHE 104 Ca 0.00 -0.30 -0.28 0.00 0.12 0.00 0.00 56.93 56.47 2jmk s PHE 104 Cb 0.00 -0.81 -0.04 0.00 -0.57 0.00 0.00 43.02 41.60 2jmk s PHE 104 CO 0.00 -0.11 2.03 0.21 -0.10 0.00 0.00 175.22 177.25 2jmk s LYS 105 N 0.12 3.12 -0.14 0.44 2.47 -1.17 -3.93 119.74 120.65 2jmk s LYS 105 Ca -0.03 1.66 -0.01 0.00 -1.56 0.00 0.00 55.97 56.03 2jmk s LYS 105 Cb -0.09 -4.31 -0.02 0.00 -1.46 0.00 0.00 37.83 31.95 2jmk s LYS 105 CO 0.01 -2.11 -0.10 0.54 0.16 0.00 0.00 175.35 173.85 2jmk s VAL 106 N 7.99 3.30 -0.19 4.02 0.11 -1.25 -0.46 120.40 133.92 2jmk s VAL 106 Ca 0.90 -0.57 -0.03 0.00 -2.93 0.00 0.00 61.98 59.35 2jmk s VAL 106 Cb -0.26 -2.41 0.06 0.00 -1.53 0.00 0.00 36.38 32.24 2jmk s VAL 106 CO 0.33 0.51 0.04 -0.70 -3.33 0.00 0.00 175.10 171.95 2jmk s GLU 107 N 0.43 0.58 0.13 1.54 2.12 0.09 -4.98 118.70 118.60 2jmk s GLU 107 Ca -0.08 -0.39 0.02 0.00 0.36 0.00 0.00 54.97 54.89 2jmk s GLU 107 Cb -0.15 -2.08 -0.04 0.00 0.26 0.00 0.00 34.13 32.12 2jmk s GLU 107 CO 0.04 -0.65 0.23 0.95 -0.54 0.00 0.00 175.26 175.30 2jmk s THR 108 N 1.89 5.17 -0.24 -1.70 -4.23 -1.26 -1.06 115.64 114.21 2jmk s THR 108 Ca -0.01 -0.69 -0.28 0.00 -1.18 0.00 0.00 61.69 59.53 2jmk s THR 108 Cb -0.17 -3.62 -0.04 0.00 1.34 0.00 0.00 72.50 70.01 2jmk s THR 108 CO -0.08 -0.03 2.02 -0.62 -0.54 0.00 0.00 174.62 175.36 2jmk s ASP 109 N -3.02 5.74 0.00 3.99 -1.08 0.79 -4.92 116.67 118.18 2jmk s ASP 109 Ca 0.34 1.74 0.05 0.00 -0.52 0.00 0.00 52.55 54.16 2jmk s ASP 109 Cb -0.11 -2.52 0.33 0.00 -1.46 0.00 0.00 42.92 39.15 2jmk s ASP 109 CO 0.27 -1.76 0.79 0.23 0.52 0.00 0.00 175.17 175.23