#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 4.91 -0.35 3.17 2.01 -1.26 -4.99 115.64 119.13 2jmk s THR 2 Ca 0.00 1.62 -0.04 0.00 0.31 0.00 0.00 61.69 63.58 2jmk s THR 2 Cb 0.00 -4.12 0.06 0.00 0.01 0.00 0.00 72.50 68.45 2jmk s THR 2 CO 0.00 0.27 0.10 -0.76 -0.69 0.00 0.00 174.62 173.54 2jmk s LEU 3 N 0.57 4.43 0.04 4.42 2.01 -1.26 -1.17 118.68 127.71 2jmk s LEU 3 Ca 0.41 -1.40 0.09 0.00 0.01 0.00 0.00 54.13 53.23 2jmk s LEU 3 Cb -0.19 -1.81 -0.03 0.00 0.01 0.00 0.00 46.19 44.16 2jmk s LEU 3 CO 0.21 -0.36 -0.25 0.00 1.01 0.00 0.00 176.35 176.96 2jmk s ALA 5 N -0.83 3.24 -0.15 0.00 0.00 0.72 -0.08 121.76 124.66 2jmk s ALA 5 Ca 0.12 -0.97 -0.16 0.00 0.00 0.00 0.00 51.96 50.96 2jmk s ALA 5 Cb -0.10 -1.30 -0.04 0.00 0.00 0.00 0.00 23.12 21.67 2jmk s ALA 5 CO 0.03 0.64 0.38 -1.64 0.00 0.00 0.00 175.76 175.17 2jmk s MET 6 N -1.57 4.29 -0.28 0.00 -1.94 -0.24 -1.35 119.30 118.20 2jmk s MET 6 Ca 0.19 0.26 0.02 0.00 -1.71 0.00 0.00 55.69 54.45 2jmk s MET 6 Cb -0.11 -3.44 0.07 0.00 2.01 0.00 0.00 34.83 33.36 2jmk s MET 6 CO 0.10 0.17 -0.03 -0.47 -0.01 0.00 0.00 175.02 174.79 2jmk s TYR 7 N 0.64 2.92 -0.65 -0.03 6.14 0.38 -0.88 117.35 125.87 2jmk s TYR 7 Ca 0.21 -2.24 -0.19 0.00 0.64 0.00 0.00 57.07 55.50 2jmk s TYR 7 Cb -0.14 -2.04 0.12 0.00 0.42 0.00 0.00 41.96 40.31 2jmk s TYR 7 CO 0.07 -0.86 0.76 -0.80 0.64 0.00 0.00 175.55 175.36 2jmk s ASN 8 N 1.21 6.28 -0.18 4.32 0.01 -0.31 -0.06 114.94 126.20 2jmk s ASN 8 Ca -0.01 -1.60 -0.06 0.00 -0.71 0.00 0.00 52.86 50.48 2jmk s ASN 8 Cb -0.19 -2.31 -0.04 0.00 0.41 0.00 0.00 41.25 39.13 2jmk s ASN 8 CO -0.08 -1.07 0.03 -0.51 -1.51 0.00 0.00 177.10 173.96 2jmk s ILE 9 N 2.49 4.49 -0.12 0.60 2.07 -0.25 -0.11 121.20 130.36 2jmk s ILE 9 Ca 0.14 -0.14 -0.02 0.00 -1.41 0.00 0.00 60.65 59.22 2jmk s ILE 9 Cb -0.21 -3.01 0.04 0.00 0.13 0.00 0.00 42.46 39.41 2jmk s ILE 9 CO 0.03 0.46 0.00 -0.94 -1.91 0.00 0.00 174.94 172.58 2jmk s SER 10 N 0.47 2.12 0.84 4.50 1.04 0.24 -0.08 113.70 122.84 2jmk s SER 10 Ca 0.01 -0.36 -0.12 0.00 0.48 0.00 0.00 55.95 55.96 2jmk s SER 10 Cb -0.13 -0.56 0.10 0.00 0.10 0.00 0.00 66.02 65.53 2jmk s SER 10 CO 0.01 -0.22 1.12 -0.32 0.98 0.00 0.00 173.24 174.82 2jmk s MET 11 N 1.89 1.70 -0.18 4.02 1.75 -1.26 -1.16 119.30 126.06 2jmk s MET 11 Ca 0.03 0.41 -0.37 0.00 -1.25 0.00 0.00 55.69 54.51 2jmk s MET 11 Cb -0.14 -1.89 -0.14 0.00 2.84 0.00 0.00 34.83 35.50 2jmk s MET 11 CO -0.07 -1.84 1.81 0.00 -0.65 0.00 0.00 175.02 174.27 2jmk n ALA 12 N -3.54 0.35 -3.09 4.11 0.00 -1.26 -1.86 120.51 115.22 2jmk n ALA 12 Ca 0.07 0.34 -0.13 0.00 0.00 0.00 0.00 53.44 53.71 2jmk n ALA 12 Cb 0.58 -2.36 0.07 0.00 0.00 0.00 0.00 19.45 17.74 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 4.29 -0.41 3.52 0.00 0.00 -1.26 -4.95 105.19 106.37 2jmk n GLY 13 Ca 0.24 0.14 -0.12 0.00 0.00 0.00 0.00 46.02 46.28 2jmk n GLY 13 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jmk s SER 14 N -3.84 0.51 0.40 1.61 0.01 -0.78 -5.16 113.70 106.46 2jmk s SER 14 Ca 0.13 -1.30 -0.01 0.00 1.31 0.00 0.00 55.95 56.08 2jmk s SER 14 Cb -0.02 0.64 -0.03 0.00 0.21 0.00 0.00 66.02 66.82 2jmk s SER 14 CO 0.60 -1.25 0.63 -1.00 0.41 0.00 0.00 173.24 172.63 2jmk s HIS 15 N -3.35 3.47 -0.40 2.43 3.76 -1.26 -4.75 115.29 115.20 2jmk s HIS 15 Ca 0.28 0.44 -0.28 0.00 -0.15 0.00 0.00 55.06 55.35 2jmk s HIS 15 Cb -0.00 -2.06 -0.01 0.00 1.11 0.00 0.00 32.58 31.61 2jmk s HIS 15 CO 0.16 -0.06 1.73 -1.25 -0.85 0.00 0.00 174.74 174.47 2jmk s PRO 16 N -4.46 3.26 -0.31 8.40 0.04 -1.26 -4.44 135.00 136.23 2jmk s PRO 16 Ca 0.43 1.18 -0.26 0.00 0.04 0.00 0.00 61.00 62.39 2jmk s PRO 16 Cb -0.10 -4.19 0.01 0.00 0.04 0.00 0.00 34.50 30.26 2jmk s PRO 16 CO 0.39 -1.95 0.93 0.99 0.04 0.00 0.00 177.00 177.40 2jmk s THR 17 N 6.95 4.65 -0.54 1.26 2.01 0.88 -4.86 115.64 126.00 2jmk s THR 17 Ca 0.74 1.48 -0.26 0.00 0.31 0.00 0.00 61.69 63.96 2jmk s THR 17 Cb -0.19 -4.28 0.03 0.00 0.01 0.00 0.00 72.50 68.07 2jmk s THR 17 CO 0.31 -0.36 1.04 -0.89 -0.69 0.00 0.00 174.62 174.03 2jmk s THR 18 N 3.29 4.26 -0.28 -0.82 2.01 -1.26 -1.09 115.64 121.75 2jmk s THR 18 Ca 0.39 0.63 -0.04 0.00 0.31 0.00 0.00 61.69 62.98 2jmk s THR 18 Cb -0.13 -4.59 0.02 0.00 0.01 0.00 0.00 72.50 67.81 2jmk s THR 18 CO 0.13 -1.14 0.02 -0.63 -0.69 0.00 0.00 174.62 172.32 2jmk s ILE 19 N 4.30 3.44 -0.31 1.82 1.01 0.91 -4.95 121.20 127.42 2jmk s ILE 19 Ca 0.37 -0.94 -0.20 0.00 0.00 0.00 0.00 60.65 59.88 2jmk s ILE 19 Cb -0.10 -2.81 -0.01 0.00 0.01 0.00 0.00 42.46 39.55 2jmk s ILE 19 CO 0.23 0.07 0.63 0.00 0.00 0.00 0.00 174.94 175.87 2jmk s VAL 21 N 2.61 1.15 0.57 0.00 1.01 -0.46 -4.31 120.40 120.97 2jmk s VAL 21 Ca 0.25 -0.50 -0.20 0.00 0.00 0.00 0.00 61.98 61.52 2jmk s VAL 21 Cb -0.15 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 2jmk s VAL 21 CO 0.12 0.35 1.21 1.33 0.00 0.00 0.00 175.10 178.11 2jmk n VAL 22 N 3.68 3.93 0.16 2.92 0.24 -1.26 -0.20 118.33 127.79 2jmk n VAL 22 Ca -0.22 -0.50 0.17 0.00 -2.04 0.00 0.00 64.34 61.75 2jmk n VAL 22 Cb 0.52 -1.44 0.77 0.00 -1.47 0.00 0.00 33.84 32.22 2jmk n VAL 22 CO 0.00 0.00 0.00 -0.03 -2.14 0.00 0.00 176.83 174.66 2jmk h MET 23 N 0.98 0.00 0.00 7.34 4.05 -1.57 0.35 114.93 126.09 2jmk h MET 23 Ca -0.50 0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 58.85 2jmk h MET 23 Cb 1.33 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.12 2jmk h MET 23 CO 0.54 0.00 -0.33 -0.44 0.23 0.00 0.00 176.91 176.91 2jmk h ASP 24 N 0.00 0.00 -0.22 1.39 3.32 -1.89 -3.12 116.42 115.90 2jmk h ASP 24 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 2jmk h ASP 24 Cb 0.61 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.16 2jmk h ASP 24 CO -0.00 0.33 0.00 -1.14 -1.72 0.00 0.00 179.24 176.71 2jmk n ARG 25 N -3.34 2.80 0.19 3.56 3.00 0.84 -4.69 116.66 119.02 2jmk n ARG 25 Ca 0.01 -2.08 -0.13 0.00 -0.00 0.00 0.00 57.85 55.66 2jmk n ARG 25 Cb 0.55 -1.31 -0.07 0.00 0.00 0.00 0.00 32.46 31.63 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 1.33 -0.48 -0.58 -0.14 3.04 -0.44 -0.78 116.94 118.89 2jmk h PHE 26 Ca 0.00 -0.01 0.05 0.00 3.98 0.00 0.00 57.97 61.99 2jmk h PHE 26 Cb 0.81 0.16 -0.05 0.00 2.56 0.00 0.00 35.95 39.43 2jmk h PHE 26 CO 0.20 -0.15 0.30 1.25 -2.02 0.00 0.00 178.31 177.89 2jmk h LEU 27 N -0.92 0.44 -0.08 0.59 5.85 -1.84 -1.37 115.31 117.98 2jmk h LEU 27 Ca -0.05 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 2jmk h LEU 27 Cb 0.55 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 2jmk h LEU 27 CO 0.09 0.29 0.05 -0.33 -0.34 0.00 0.00 178.44 178.20 2jmk h GLU 28 N 0.58 0.11 -0.56 1.25 5.08 -1.85 -0.79 114.58 118.40 2jmk h GLU 28 Ca 0.26 -0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.69 2jmk h GLU 28 Cb 0.16 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.33 2jmk h GLU 28 CO -0.17 0.14 0.21 0.66 -1.00 0.00 0.00 179.01 178.85 2jmk h SER 29 N 0.05 0.22 -0.56 1.42 4.64 -0.73 -1.23 113.55 117.35 2jmk h SER 29 Ca 0.03 0.07 -0.04 0.00 -0.47 0.00 0.00 61.79 61.37 2jmk h SER 29 Cb 0.06 0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 2jmk h SER 29 CO -0.00 0.14 0.19 0.15 -0.87 0.00 0.00 176.83 176.44 2jmk h PHE 30 N 0.40 0.90 -0.15 4.77 3.57 -1.05 0.24 116.94 125.61 2jmk h PHE 30 Ca 0.27 -0.09 0.03 0.00 3.53 0.00 0.00 57.97 61.72 2jmk h PHE 30 Cb 0.31 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 2jmk h PHE 30 CO -0.16 0.75 -0.05 0.77 -2.23 0.00 0.00 178.31 177.39 2jmk h SER 31 N 0.79 -0.17 -0.30 0.41 0.02 -0.30 -1.19 113.55 112.80 2jmk h SER 31 Ca 0.18 0.05 -0.18 0.00 -0.84 0.00 0.00 61.79 61.00 2jmk h SER 31 Cb 0.26 0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.91 2jmk h SER 31 CO -0.01 -0.07 -0.51 -0.08 -1.14 0.00 0.00 176.83 175.02 2jmk h GLU 32 N -0.02 0.89 -0.90 3.45 4.81 -1.14 -3.15 114.58 118.51 2jmk h GLU 32 Ca 0.08 -0.54 0.12 0.00 -0.13 0.00 0.00 59.36 58.88 2jmk h GLU 32 Cb 0.14 0.06 -0.08 0.00 0.63 0.00 0.00 28.75 29.49 2jmk h GLU 32 CO -0.16 1.18 0.53 1.25 -0.73 0.00 0.00 179.01 181.08 2jmk h LEU 33 N 0.69 0.74 -1.89 1.64 5.85 -0.19 0.29 115.31 122.44 2jmk h LEU 33 Ca 0.02 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 2jmk h LEU 33 Cb 1.12 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.07 2jmk h LEU 33 CO 0.12 0.38 -0.03 0.22 -0.34 0.00 0.00 178.44 178.79 2jmk h TYR 34 N 0.82 0.00 0.00 1.25 3.20 -1.18 0.38 116.97 121.44 2jmk h TYR 34 Ca 0.46 0.00 -0.24 0.00 3.14 0.00 0.00 58.73 62.09 2jmk h TYR 34 Cb 0.50 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.74 2jmk h TYR 34 CO -0.04 0.03 -1.29 0.22 -1.64 0.00 0.00 178.16 175.44 2jmk h ASP 35 N 0.00 0.00 0.38 -2.11 1.82 -0.47 -3.32 116.42 112.71 2jmk h ASP 35 Ca -0.00 0.00 -0.31 0.00 -0.39 0.00 0.00 57.03 56.33 2jmk h ASP 35 Cb 0.37 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.34 2jmk h ASP 35 CO 0.00 0.98 -1.83 0.00 -1.61 0.00 0.00 179.24 176.79 2jmk n ILE 36 N -3.22 1.63 0.30 2.25 3.06 -0.59 -3.99 119.36 118.81 2jmk n ILE 36 Ca -0.07 -0.77 0.17 0.00 -2.50 0.00 0.00 62.75 59.58 2jmk n ILE 36 Cb 0.98 -1.13 0.97 0.00 0.54 0.00 0.00 39.64 40.99 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 0.01 0.38 -0.77 9.51 6.09 -0.40 -2.05 117.51 130.29 2jmk h ILE 37 Ca -0.34 -0.09 0.22 0.00 -1.37 0.00 0.00 64.86 63.29 2jmk h ILE 37 Cb 2.03 1.06 -0.03 0.00 0.47 0.00 0.00 36.82 40.35 2jmk h ILE 37 CO 0.07 0.02 0.56 -0.78 -3.07 0.00 0.00 178.15 174.95 2jmk h ASP 38 N 0.00 0.00 -1.99 2.19 1.82 -1.69 -3.41 116.42 113.34 2jmk h ASP 38 Ca -0.00 0.00 -0.50 0.00 -0.39 0.00 0.00 57.03 56.14 2jmk h ASP 38 Cb 0.06 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.02 2jmk h ASP 38 CO 0.00 0.00 -0.49 -1.83 -1.61 0.00 0.00 179.24 175.31 2jmk s GLU 39 N -4.98 2.76 -0.62 0.28 -1.05 -0.77 -5.04 118.70 109.28 2jmk s GLU 39 Ca -0.05 -1.23 0.01 0.00 -0.15 0.00 0.00 54.97 53.56 2jmk s GLU 39 Cb 0.21 -2.48 0.41 0.00 -0.44 0.00 0.00 34.13 31.82 2jmk s GLU 39 CO 0.75 0.22 1.67 0.27 0.95 0.00 0.00 175.26 179.12 2jmk n ASN 40 N -1.27 6.46 -4.55 0.83 6.94 -1.26 -4.98 115.26 117.43 2jmk n ASN 40 Ca -0.04 -3.78 -0.41 0.00 -0.02 0.00 0.00 54.58 50.32 2jmk n ASN 40 Cb 0.59 -0.79 -0.08 0.00 -2.36 0.00 0.00 39.78 37.14 2jmk n ASN 40 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 2jmk s ASP 41 N -2.25 6.27 0.21 0.53 1.11 -1.26 -4.92 116.67 116.36 2jmk s ASP 41 Ca 0.54 -0.12 0.18 0.00 0.18 0.00 0.00 52.55 53.33 2jmk s ASP 41 Cb 0.44 -2.25 0.02 0.00 1.07 0.00 0.00 42.92 42.20 2jmk s ASP 41 CO -0.20 -0.45 1.19 0.74 1.18 0.00 0.00 175.17 177.63 2jmk h THR 42 N 5.60 0.50 0.00 -1.27 2.02 -2.00 -3.18 112.91 114.58 2jmk h THR 42 Ca -0.28 -1.81 -0.05 0.00 0.77 0.00 0.00 66.41 65.04 2jmk h THR 42 Cb 1.13 2.09 -0.01 0.00 -1.74 0.00 0.00 68.15 69.63 2jmk h THR 42 CO 0.75 0.29 -0.24 0.44 0.37 0.00 0.00 175.52 177.13 2jmk h ASP 43 N 0.00 0.00 0.78 4.18 3.32 -2.03 -2.55 116.42 120.12 2jmk h ASP 43 Ca -0.06 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.91 2jmk h ASP 43 Cb 1.35 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.88 2jmk h ASP 43 CO 0.04 0.24 -1.28 0.55 -1.72 0.00 0.00 179.24 177.07 2jmk n VAL 44 N -4.03 0.86 -0.04 -1.35 3.14 -1.24 -4.25 118.33 111.42 2jmk n VAL 44 Ca -0.02 -0.62 -0.08 0.00 -2.96 0.00 0.00 64.34 60.66 2jmk n VAL 44 Cb 0.31 -0.51 -0.02 0.00 -1.06 0.00 0.00 33.84 32.57 2jmk n VAL 44 CO 0.00 0.00 0.00 0.24 -6.46 0.00 0.00 176.83 170.61 2jmk h MET 45 N 0.00 -0.17 -0.53 1.45 2.86 -1.43 -0.72 114.93 116.39 2jmk h MET 45 Ca -0.09 0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.65 2jmk h MET 45 Cb 1.30 0.04 -0.07 0.00 0.06 0.00 0.00 31.60 32.93 2jmk h MET 45 CO 0.02 -0.12 0.15 0.00 1.06 0.00 0.00 176.91 178.03 2jmk h MET 46 N -0.18 0.30 -0.92 1.72 -0.00 -1.73 0.69 114.93 114.80 2jmk h MET 46 Ca 0.13 -0.02 0.04 0.00 -0.00 0.00 0.00 59.70 59.85 2jmk h MET 46 Cb 0.37 -0.07 -0.05 0.00 -0.00 0.00 0.00 31.60 31.85 2jmk h MET 46 CO -0.33 0.20 0.60 0.22 -0.00 0.00 0.00 176.91 177.60 2jmk h ASP 47 N 0.31 1.00 -0.03 -0.10 3.58 -1.55 -1.16 116.42 118.47 2jmk h ASP 47 Ca 0.26 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.70 2jmk h ASP 47 Cb 0.33 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 41.16 2jmk h ASP 47 CO -0.30 0.68 -0.00 0.15 -2.88 0.00 0.00 179.24 176.89 2jmk h PHE 48 N 1.16 0.06 -0.51 0.28 3.57 0.05 0.26 116.94 121.81 2jmk h PHE 48 Ca 0.37 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.93 2jmk h PHE 48 Cb 0.00 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 38.67 2jmk h PHE 48 CO -0.01 0.37 0.18 0.82 -2.23 0.00 0.00 178.31 177.44 2jmk h ILE 49 N -0.27 0.82 0.00 1.41 2.04 -0.63 -0.79 117.51 120.09 2jmk h ILE 49 Ca 0.01 -0.12 -0.11 0.00 1.00 0.00 0.00 64.86 65.63 2jmk h ILE 49 Cb 0.35 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 2jmk h ILE 49 CO 0.00 0.06 -0.54 -1.28 0.00 0.00 0.00 178.15 176.39 2jmk h SER 50 N 0.35 0.00 -0.14 1.72 0.87 -1.20 0.26 113.55 115.42 2jmk h SER 50 Ca 0.25 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.79 2jmk h SER 50 Cb 0.27 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 2jmk h SER 50 CO -0.26 0.54 0.03 -0.09 -0.53 0.00 0.00 176.83 176.53 2jmk h ARG 51 N 0.00 0.23 0.00 2.24 9.65 0.71 -3.37 114.38 123.84 2jmk h ARG 51 Ca -0.01 -0.06 -0.12 0.00 -1.10 0.00 0.00 59.98 58.70 2jmk h ARG 51 Cb 1.16 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.70 2jmk h ARG 51 CO 0.07 0.39 -0.86 0.74 2.80 0.00 0.00 179.97 183.12 2jmk h PHE 52 N 0.02 0.00 -3.52 2.20 0.04 -1.23 -3.45 116.94 111.00 2jmk h PHE 52 Ca 0.04 0.00 -0.56 0.00 2.80 0.00 0.00 57.97 60.25 2jmk h PHE 52 Cb 0.27 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.36 2jmk h PHE 52 CO 0.01 0.79 0.95 0.00 -0.60 0.00 0.00 178.31 179.46 2jmk s ALA 53 N -2.52 3.21 0.26 2.45 0.00 0.91 -4.92 121.76 121.16 2jmk s ALA 53 Ca -0.21 -0.30 -0.29 0.00 0.00 0.00 0.00 51.96 51.15 2jmk s ALA 53 Cb 0.04 -3.86 -0.09 0.00 0.00 0.00 0.00 23.12 19.20 2jmk s ALA 53 CO 0.41 -2.12 1.20 0.50 0.00 0.00 0.00 175.76 175.75 2jmk s ARG 54 N 4.40 4.50 -1.29 0.00 6.06 -1.26 -4.13 118.95 127.23 2jmk s ARG 54 Ca 0.51 1.96 -0.12 0.00 -2.50 0.00 0.00 55.73 55.57 2jmk s ARG 54 Cb -0.10 -3.17 0.14 0.00 0.06 0.00 0.00 34.95 31.88 2jmk s ARG 54 CO 0.29 -0.01 1.81 0.25 -2.50 0.00 0.00 175.30 175.13 2jmk n THR 55 N 1.56 4.16 -4.55 4.11 -2.24 -1.26 -4.93 114.28 111.12 2jmk n THR 55 Ca 0.01 -4.25 -0.26 0.00 -2.27 0.00 0.00 64.05 57.29 2jmk n THR 55 Cb 0.44 -2.42 -0.09 0.00 -2.10 0.00 0.00 70.33 66.15 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 1.98 3.02 -0.33 3.42 1.11 -1.26 -5.11 116.67 119.51 2jmk s ASP 56 Ca 0.43 -1.51 -0.28 0.00 0.18 0.00 0.00 52.55 51.37 2jmk s ASP 56 Cb 0.07 0.14 0.02 0.00 1.07 0.00 0.00 42.92 44.21 2jmk s ASP 56 CO -0.00 -0.72 1.03 -0.70 1.18 0.00 0.00 175.17 175.95 2jmk s GLU 57 N -3.81 4.01 0.15 8.23 -6.30 -1.26 -5.01 118.70 114.71 2jmk s GLU 57 Ca 0.27 0.93 -0.30 0.00 -2.50 0.00 0.00 54.97 53.37 2jmk s GLU 57 Cb 0.06 -3.75 -0.08 0.00 0.00 0.00 0.00 34.13 30.36 2jmk s GLU 57 CO 0.13 -0.91 1.28 -1.50 0.02 0.00 0.00 175.26 174.29 2jmk s ILE 58 N 3.59 3.46 0.25 -3.70 1.10 -1.26 -5.03 121.20 119.61 2jmk s ILE 58 Ca 0.43 1.14 0.06 0.00 -0.51 0.00 0.00 60.65 61.77 2jmk s ILE 58 Cb -0.12 -3.73 -0.03 0.00 0.15 0.00 0.00 42.46 38.73 2jmk s ILE 58 CO 0.16 0.14 0.34 -0.04 -2.11 0.00 0.00 174.94 173.43 2jmk s MET 59 N 0.33 3.29 0.47 3.50 -1.94 -1.26 -5.01 119.30 118.67 2jmk s MET 59 Ca 0.58 -0.86 0.25 0.00 -1.71 0.00 0.00 55.69 53.96 2jmk s MET 59 Cb -0.34 -2.81 1.08 0.00 2.01 0.00 0.00 34.83 34.77 2jmk s MET 59 CO 0.34 0.38 1.89 -1.00 -0.01 0.00 0.00 175.02 176.63 2jmk h PRO 60 N 1.21 0.00 -0.76 2.03 0.13 -2.05 -3.03 132.00 129.53 2jmk h PRO 60 Ca -0.51 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.58 2jmk h PRO 60 Cb 1.23 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.33 2jmk h PRO 60 CO 0.60 0.19 0.31 0.93 -0.23 0.00 0.00 178.00 179.80 2jmk h GLU 61 N 0.00 1.12 -6.54 0.86 5.08 -1.99 -3.43 114.58 109.69 2jmk h GLU 61 Ca -0.00 -0.19 -0.58 0.00 -1.00 0.00 0.00 59.36 57.58 2jmk h GLU 61 Cb 0.64 -0.19 0.06 0.00 0.50 0.00 0.00 28.75 29.76 2jmk h GLU 61 CO 0.03 0.90 0.76 -0.25 -1.00 0.00 0.00 179.01 179.45 2jmk n ASP 62 N -4.29 3.04 -4.58 1.42 9.92 -1.15 -4.59 116.55 116.33 2jmk n ASP 62 Ca 0.07 1.10 -0.26 0.00 -0.53 0.00 0.00 54.79 55.16 2jmk n ASP 62 Cb 0.18 -1.43 -0.09 0.00 -0.64 0.00 0.00 41.12 39.13 2jmk n ASP 62 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 2jmk s LYS 63 N 0.55 2.08 0.31 -1.24 2.20 -0.32 -5.00 119.74 118.33 2jmk s LYS 63 Ca 0.76 -1.29 -0.27 0.00 -0.36 0.00 0.00 55.97 54.80 2jmk s LYS 63 Cb -0.66 -2.15 -0.09 0.00 -1.51 0.00 0.00 37.83 33.41 2jmk s LYS 63 CO 0.41 0.43 1.04 0.99 -0.36 0.00 0.00 175.35 177.85 2jmk s THR 64 N -1.78 3.75 -0.05 3.43 2.01 -1.26 -1.36 115.64 120.39 2jmk s THR 64 Ca 0.26 1.59 0.03 0.00 0.31 0.00 0.00 61.69 63.88 2jmk s THR 64 Cb -0.08 -3.95 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 2jmk s THR 64 CO 0.16 0.25 0.09 0.55 -0.69 0.00 0.00 174.62 174.97 2jmk n VAL 65 N 0.79 0.00 0.00 3.82 3.14 0.88 -4.75 118.33 122.21 2jmk n VAL 65 Ca 0.01 -0.18 0.00 0.00 -2.96 0.00 0.00 64.34 61.21 2jmk n VAL 65 Cb 0.47 0.60 0.00 0.00 -1.06 0.00 0.00 33.84 33.86 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 1.94 0.83 3.08 7.55 0.00 -1.26 -0.87 105.19 116.46 2jmk n GLY 66 Ca -0.00 -0.67 -0.25 0.00 0.00 0.00 0.00 46.02 45.10 2jmk n GLY 66 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jmk s PHE 67 N -2.00 1.59 -0.04 1.61 0.40 0.78 -1.08 117.98 119.23 2jmk s PHE 67 Ca 0.00 -0.52 0.02 0.00 -0.60 0.00 0.00 56.93 55.83 2jmk s PHE 67 Cb 0.00 -1.11 0.01 0.00 0.51 0.00 0.00 43.02 42.43 2jmk s PHE 67 CO 0.00 -0.22 -0.10 0.08 0.70 0.00 0.00 175.22 175.68 2jmk s VAL 68 N 0.33 0.89 -0.22 -0.44 1.01 -0.06 -0.90 120.40 121.01 2jmk s VAL 68 Ca -0.09 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.52 2jmk s VAL 68 Cb -0.13 -0.81 0.04 0.00 0.00 0.00 0.00 36.38 35.48 2jmk s VAL 68 CO 0.03 0.28 -0.15 -0.69 0.00 0.00 0.00 175.10 174.58 2jmk s VAL 69 N 0.43 2.21 -0.22 2.92 1.01 -0.24 -1.16 120.40 125.34 2jmk s VAL 69 Ca -0.08 -1.22 0.01 0.00 0.00 0.00 0.00 61.98 60.69 2jmk s VAL 69 Cb -0.12 -2.10 0.05 0.00 0.00 0.00 0.00 36.38 34.21 2jmk s VAL 69 CO 0.01 0.27 -0.10 -0.69 0.00 0.00 0.00 175.10 174.60 2jmk s VAL 70 N 1.22 1.75 -0.22 2.92 1.01 0.85 -0.55 120.40 127.38 2jmk s VAL 70 Ca -0.01 -1.21 -0.01 0.00 0.00 0.00 0.00 61.98 60.76 2jmk s VAL 70 Cb -0.16 -1.87 0.06 0.00 0.00 0.00 0.00 36.38 34.40 2jmk s VAL 70 CO -0.09 0.07 -0.02 0.20 0.00 0.00 0.00 175.10 175.26 2jmk s ASN 71 N 1.32 3.46 0.20 3.32 -0.87 0.24 -0.59 114.94 122.02 2jmk s ASN 71 Ca -0.04 -1.03 0.09 0.00 -1.57 0.00 0.00 52.86 50.32 2jmk s ASN 71 Cb -0.18 -0.94 0.05 0.00 -0.02 0.00 0.00 41.25 40.16 2jmk s ASN 71 CO -0.07 -0.26 1.43 0.00 -2.57 0.00 0.00 177.10 175.62 2jmk h ALA 72 N 8.07 0.62 0.08 0.60 0.00 -1.42 0.29 119.26 127.51 2jmk h ALA 72 Ca -0.17 -0.73 -0.26 0.00 0.00 0.00 0.00 54.91 53.76 2jmk h ALA 72 Cb 1.09 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2jmk h ALA 72 CO 0.38 1.00 -1.13 0.38 0.00 0.00 0.00 179.25 179.88 2jmk h ASP 73 N 0.00 0.45 0.44 0.00 2.03 -1.76 -3.27 116.42 114.31 2jmk h ASP 73 Ca -0.01 -0.43 0.00 0.00 -0.73 0.00 0.00 57.03 55.86 2jmk h ASP 73 Cb 1.47 -0.14 0.00 0.00 -0.83 0.00 0.00 39.33 39.83 2jmk h ASP 73 CO 0.10 1.30 -0.92 0.29 -1.03 0.00 0.00 179.24 178.98 2jmk n LYS 74 N -3.61 0.22 -3.00 4.15 5.02 -1.23 -4.96 118.16 114.77 2jmk n LYS 74 Ca -0.08 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.09 2jmk n LYS 74 Cb 0.95 -1.58 0.06 0.00 -0.02 0.00 0.00 35.03 34.45 2jmk n LYS 74 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2jmk n LYS 75 N -1.87 -2.65 -3.66 1.97 4.81 0.87 -5.04 118.16 112.59 2jmk n LYS 75 Ca 0.03 0.71 -0.20 0.00 -0.87 0.00 0.00 58.31 57.98 2jmk n LYS 75 Cb 0.41 -5.12 -0.17 0.00 0.02 0.00 0.00 35.03 30.17 2jmk n LYS 75 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2jmk s LEU 76 N -5.11 0.11 -0.34 3.14 1.43 -0.36 -4.38 118.68 113.16 2jmk s LEU 76 Ca 0.30 0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.47 2jmk s LEU 76 Cb -0.04 -0.04 0.11 0.00 0.03 0.00 0.00 46.19 46.24 2jmk s LEU 76 CO 0.61 -0.26 0.10 -0.04 0.23 0.00 0.00 176.35 176.99 2jmk s MET 77 N 2.20 1.07 0.13 1.70 -1.94 -0.34 -0.59 119.30 121.53 2jmk s MET 77 Ca 0.04 -1.50 0.09 0.00 -1.71 0.00 0.00 55.69 52.61 2jmk s MET 77 Cb -0.12 -2.47 -0.04 0.00 2.01 0.00 0.00 34.83 34.20 2jmk s MET 77 CO -0.04 -1.00 -0.14 0.45 -0.01 0.00 0.00 175.02 174.28 2jmk s SER 78 N 1.16 4.09 -0.11 3.03 0.15 0.29 -1.24 113.70 121.08 2jmk s SER 78 Ca 0.11 -0.53 -0.05 0.00 0.70 0.00 0.00 55.95 56.18 2jmk s SER 78 Cb -0.19 -0.65 0.05 0.00 -1.71 0.00 0.00 66.02 63.52 2jmk s SER 78 CO -0.16 0.16 0.24 0.68 1.20 0.00 0.00 173.24 175.36 2jmk s VAL 79 N -1.33 -0.10 -0.32 4.45 -7.23 0.42 -1.08 120.40 115.21 2jmk s VAL 79 Ca 0.21 0.18 0.01 0.00 -1.81 0.00 0.00 61.98 60.56 2jmk s VAL 79 Cb -0.10 -0.38 0.14 0.00 0.56 0.00 0.00 36.38 36.60 2jmk s VAL 79 CO 0.12 0.07 0.32 -0.44 -0.31 0.00 0.00 175.10 174.86 2jmk s SER 80 N 1.46 1.56 0.43 4.85 0.01 -0.08 -0.12 113.70 121.82 2jmk s SER 80 Ca -0.07 -1.06 0.05 0.00 1.31 0.00 0.00 55.95 56.18 2jmk s SER 80 Cb -0.11 0.50 -0.06 0.00 0.21 0.00 0.00 66.02 66.56 2jmk s SER 80 CO -0.08 -0.35 0.01 0.72 0.41 0.00 0.00 173.24 173.95 2jmk s PHE 81 N 2.03 2.28 0.43 2.43 -0.71 -1.26 -0.16 117.98 123.03 2jmk s PHE 81 Ca 0.12 -0.78 -0.23 0.00 -1.04 0.00 0.00 56.93 54.99 2jmk s PHE 81 Cb -0.15 -1.69 -0.11 0.00 -1.21 0.00 0.00 43.02 39.87 2jmk s PHE 81 CO -0.23 0.35 0.89 0.45 -1.34 0.00 0.00 175.22 175.34 2jmk n SER 82 N -1.05 0.70 -4.57 1.98 2.88 -0.05 -4.79 113.62 108.72 2jmk n SER 82 Ca -0.09 0.99 -0.40 0.00 -1.33 0.00 0.00 58.87 58.04 2jmk n SER 82 Cb 0.67 -1.30 -0.03 0.00 -0.75 0.00 0.00 64.21 62.80 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 -0.83 5.08 0.48 -3.46 1.11 -1.26 -4.95 116.67 112.84 2jmk s ASP 83 Ca 0.64 1.31 0.08 0.00 0.18 0.00 0.00 52.55 54.76 2jmk s ASP 83 Cb -0.56 -2.51 0.08 0.00 1.07 0.00 0.00 42.92 41.00 2jmk s ASP 83 CO 0.56 -2.35 0.64 2.30 1.18 0.00 0.00 175.17 177.50 2jmk n ILE 84 N 7.75 0.00 -0.73 0.77 -5.35 -1.26 -5.09 119.36 115.45 2jmk n ILE 84 Ca 0.31 -1.63 -0.33 0.00 -0.27 0.00 0.00 62.75 60.83 2jmk n ILE 84 Cb 0.50 -0.55 0.15 0.00 -1.74 0.00 0.00 39.64 37.99 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 -2.39 -2.29 0.02 7.28 8.00 -1.26 -4.89 116.55 121.02 2jmk n ASP 85 Ca 0.12 0.09 -0.19 0.00 0.71 0.00 0.00 54.79 55.52 2jmk n ASP 85 Cb 0.50 -1.07 -0.09 0.00 -0.02 0.00 0.00 41.12 40.44 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 -1.83 0.74 -0.21 -1.24 4.11 -1.99 -3.20 114.58 110.96 2jmk h GLU 86 Ca -0.49 -0.73 0.06 0.00 0.07 0.00 0.00 59.36 58.27 2jmk h GLU 86 Cb 1.32 0.19 -0.07 0.00 0.50 0.00 0.00 28.75 30.70 2jmk h GLU 86 CO 0.36 1.31 -0.23 -0.91 0.07 0.00 0.00 179.01 179.61 2jmk h ASN 87 N 0.45 -0.74 -0.42 3.06 2.35 -2.02 0.12 115.58 118.39 2jmk h ASN 87 Ca -0.10 0.13 0.07 0.00 -0.55 0.00 0.00 56.30 55.85 2jmk h ASN 87 Cb 1.60 0.34 -0.02 0.00 0.05 0.00 0.00 38.32 40.29 2jmk h ASN 87 CO 0.19 -0.27 0.28 0.24 -1.65 0.00 0.00 177.43 176.22 2jmk h MET 88 N -0.25 0.25 0.00 0.81 2.86 -1.94 0.48 114.93 117.14 2jmk h MET 88 Ca 0.13 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.73 2jmk h MET 88 Cb 0.45 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.05 2jmk h MET 88 CO -0.36 0.16 -0.09 -0.22 1.06 0.00 0.00 176.91 177.47 2jmk h LYS 89 N 0.25 0.00 0.29 1.72 3.64 -0.97 -0.85 116.57 120.65 2jmk h LYS 89 Ca 0.19 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 2jmk h LYS 89 Cb 0.42 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 2jmk h LYS 89 CO -0.04 0.09 -0.14 0.87 -2.27 0.00 0.00 179.45 177.96 2jmk h LYS 90 N 0.00 -0.37 -0.59 1.90 1.57 -0.60 -0.17 116.57 118.30 2jmk h LYS 90 Ca -0.00 0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 2jmk h LYS 90 Cb 0.22 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 2jmk h LYS 90 CO 0.01 -0.03 0.13 -0.24 -0.57 0.00 0.00 179.45 178.76 2jmk h VAL 91 N -0.87 1.24 -0.33 0.50 3.04 -1.53 -0.89 116.25 117.40 2jmk h VAL 91 Ca -0.04 -0.89 -0.07 0.00 -1.01 0.00 0.00 66.70 64.69 2jmk h VAL 91 Cb 0.52 0.65 -0.01 0.00 -2.01 0.00 0.00 31.29 30.43 2jmk h VAL 91 CO 0.06 0.33 -0.08 0.40 -1.01 0.00 0.00 177.57 177.28 2jmk h ILE 92 N 0.89 1.28 -0.57 3.17 2.04 -1.21 -1.11 117.51 121.99 2jmk h ILE 92 Ca 0.19 -1.14 -0.08 0.00 1.00 0.00 0.00 64.86 64.84 2jmk h ILE 92 Cb 0.34 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 2jmk h ILE 92 CO 0.00 0.37 0.06 0.11 0.00 0.00 0.00 178.15 178.69 2jmk h LYS 93 N 0.43 0.97 0.01 2.37 1.79 -0.84 -0.74 116.57 120.55 2jmk h LYS 93 Ca 0.08 -0.28 -0.00 0.00 -2.18 0.00 0.00 60.65 58.28 2jmk h LYS 93 Cb 0.58 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 2jmk h LYS 93 CO 0.03 0.94 -0.01 0.00 -1.08 0.00 0.00 179.45 179.33 2jmk h ALA 94 N 0.99 -0.01 -0.76 3.86 0.00 -1.11 0.09 119.26 122.32 2jmk h ALA 94 Ca 0.17 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2jmk h ALA 94 Cb 0.46 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2jmk h ALA 94 CO 0.02 -0.39 0.44 1.15 0.00 0.00 0.00 179.25 180.47 2jmk h THR 95 N -0.25 1.22 -0.37 0.00 2.02 -1.16 -0.09 112.91 114.28 2jmk h THR 95 Ca -0.00 -0.51 -0.10 0.00 0.77 0.00 0.00 66.41 66.57 2jmk h THR 95 Cb 0.24 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.82 2jmk h THR 95 CO 0.00 0.23 -0.19 0.00 0.37 0.00 0.00 175.52 175.93 2jmk h ALA 96 N 1.23 0.97 -0.13 6.16 0.00 -1.06 -2.89 119.26 123.55 2jmk h ALA 96 Ca 0.27 -0.35 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 2jmk h ALA 96 Cb -0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2jmk h ALA 96 CO -0.05 0.60 -0.55 1.49 0.00 0.00 0.00 179.25 180.75 2jmk h GLU 97 N 0.62 0.37 -0.15 0.00 4.22 -0.52 -2.99 114.58 116.14 2jmk h GLU 97 Ca 0.09 -0.23 -0.03 0.00 0.08 0.00 0.00 59.36 59.27 2jmk h GLU 97 Cb 0.67 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 2jmk h GLU 97 CO 0.05 0.82 -0.05 0.87 -2.18 0.00 0.00 179.01 178.53 2jmk h LYS 98 N 0.29 0.21 -0.07 1.92 1.79 -0.82 -1.74 116.57 118.16 2jmk h LYS 98 Ca 0.00 -0.03 0.02 0.00 -2.18 0.00 0.00 60.65 58.46 2jmk h LYS 98 Cb 1.05 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 31.66 2jmk h LYS 98 CO 0.09 0.28 0.21 0.74 -1.08 0.00 0.00 179.45 179.70 2jmk h PHE 99 N 0.21 0.00 -0.97 -1.35 0.04 -1.38 -1.65 116.94 111.84 2jmk h PHE 99 Ca 0.05 0.00 0.28 0.00 2.80 0.00 0.00 57.97 61.10 2jmk h PHE 99 Cb 0.23 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.34 2jmk h PHE 99 CO 0.00 0.00 0.78 1.57 -0.60 0.00 0.00 178.31 180.06 2jmk h LYS 100 N 0.00 0.00 -0.88 1.51 2.10 -1.38 0.34 116.57 118.27 2jmk h LYS 100 Ca 0.03 0.00 0.25 0.00 -2.00 0.00 0.00 60.65 58.93 2jmk h LYS 100 Cb 0.46 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.75 2jmk h LYS 100 CO -0.00 0.00 0.62 -2.95 -2.00 0.00 0.00 179.45 175.12 2jmk h ASN 101 N 0.00 0.06 0.00 7.07 7.08 -1.53 -1.98 115.58 126.28 2jmk h ASN 101 Ca 0.46 0.01 0.00 0.00 -3.08 0.00 0.00 56.30 53.69 2jmk h ASN 101 Cb 2.02 -0.00 0.00 0.00 -2.08 0.00 0.00 38.32 38.25 2jmk h ASN 101 CO -0.00 0.02 0.00 2.29 -2.08 0.00 0.00 177.43 177.66 2jmk n LYS 102 N -4.31 -0.52 -2.76 4.14 2.85 0.91 -4.93 118.16 113.54 2jmk n LYS 102 Ca 0.18 -0.34 -0.04 0.00 -1.05 0.00 0.00 58.31 57.06 2jmk n LYS 102 Cb 0.90 -0.81 0.02 0.00 -0.65 0.00 0.00 35.03 34.49 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 -0.01 -0.54 0.46 2.58 0.00 0.50 -4.86 105.19 103.32 2jmk n GLY 103 Ca 0.00 0.45 0.28 0.00 0.00 0.00 0.00 46.02 46.75 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 4.84 0.01 -0.53 1.61 -1.00 -1.74 -3.29 116.94 116.85 2jmk h PHE 104 Ca 0.03 0.00 -0.44 0.00 2.81 0.00 0.00 57.97 60.38 2jmk h PHE 104 Cb 1.10 -0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.61 2jmk h PHE 104 CO 0.08 0.00 1.44 1.17 -1.61 0.00 0.00 178.31 179.39 2jmk n LYS 105 N -4.28 1.99 -4.76 1.51 3.00 -1.26 -4.87 118.16 109.49 2jmk n LYS 105 Ca 0.18 -2.63 -0.33 0.00 -0.00 0.00 0.00 58.31 55.53 2jmk n LYS 105 Cb 0.95 -3.63 -0.13 0.00 0.00 0.00 0.00 35.03 32.22 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 9.03 3.22 -0.03 3.15 1.01 -1.25 -1.20 120.40 134.33 2jmk s VAL 106 Ca 0.64 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.97 2jmk s VAL 106 Cb 0.01 -2.32 0.02 0.00 0.00 0.00 0.00 36.38 34.09 2jmk s VAL 106 CO 0.12 0.55 0.08 -1.61 0.00 0.00 0.00 175.10 174.25 2jmk s GLU 107 N -0.16 0.07 0.05 2.72 2.02 -0.38 -5.01 118.70 118.02 2jmk s GLU 107 Ca 0.00 0.17 0.04 0.00 0.02 0.00 0.00 54.97 55.20 2jmk s GLU 107 Cb -0.13 -0.04 -0.03 0.00 0.10 0.00 0.00 34.13 34.03 2jmk s GLU 107 CO 0.03 -0.06 -0.12 0.95 0.02 0.00 0.00 175.26 176.08 2jmk s THR 108 N 0.40 0.92 -0.45 3.63 -4.23 -1.26 -0.44 115.64 114.22 2jmk s THR 108 Ca -0.03 -1.13 -0.17 0.00 -1.18 0.00 0.00 61.69 59.17 2jmk s THR 108 Cb -0.04 -0.90 0.04 0.00 1.34 0.00 0.00 72.50 72.94 2jmk s THR 108 CO -0.01 -0.21 0.47 -0.62 -0.54 0.00 0.00 174.62 173.71 2jmk s ASP 109 N -1.50 6.19 0.00 3.99 2.15 0.84 -4.95 116.67 123.39 2jmk s ASP 109 Ca -0.03 -0.82 0.00 0.00 0.43 0.00 0.00 52.55 52.12 2jmk s ASP 109 Cb -0.09 -2.23 0.00 0.00 -0.30 0.00 0.00 42.92 40.30 2jmk s ASP 109 CO 0.01 -0.66 0.38 1.15 -0.17 0.00 0.00 175.17 175.89