#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j5n n VAL 2 N 0.00 1.68 0.04 1.12 0.24 -1.26 -4.89 118.33 115.26 1j5n n VAL 2 Ca 0.00 -4.89 -0.22 0.00 -2.04 0.00 0.00 64.34 57.19 1j5n n VAL 2 Cb 0.00 -2.13 -0.14 0.00 -1.47 0.00 0.00 33.84 30.10 1j5n n VAL 2 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 1j5n h THR 3 N 3.95 1.19 -1.00 3.34 1.35 -2.13 -3.44 112.91 116.17 1j5n h THR 3 Ca 0.17 -2.49 -0.51 0.00 -0.55 0.00 0.00 66.41 63.04 1j5n h THR 3 Cb 0.73 2.90 -0.03 0.00 -1.73 0.00 0.00 68.15 70.03 1j5n h THR 3 CO 0.73 0.74 1.65 -2.65 -0.25 0.00 0.00 175.52 175.74 1j5n n PRO 4 N -3.92 0.71 -0.00 4.72 -0.02 -1.26 -4.71 135.00 130.52 1j5n n PRO 4 Ca -0.21 0.04 0.03 0.00 -2.02 0.00 0.00 63.50 61.34 1j5n n PRO 4 Cb 0.92 -2.66 -0.03 0.00 -0.02 0.00 0.00 33.50 31.71 1j5n n PRO 4 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1j5n n ARG 5 N 8.72 3.68 -5.11 -0.52 1.74 -1.26 -4.99 116.66 118.92 1j5n n ARG 5 Ca 0.47 -0.02 -0.32 0.00 -0.77 0.00 0.00 57.85 57.22 1j5n n ARG 5 Cb 0.33 -0.87 -0.16 0.00 -1.02 0.00 0.00 32.46 30.74 1j5n n ARG 5 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1j5n s GLU 6 N -1.78 2.72 -0.06 5.56 8.01 -1.26 -5.10 118.70 126.80 1j5n s GLU 6 Ca 0.01 -0.83 -0.30 0.00 0.01 0.00 0.00 54.97 53.86 1j5n s GLU 6 Cb 0.04 -2.29 -0.05 0.00 -4.31 0.00 0.00 34.13 27.52 1j5n s GLU 6 CO 0.22 0.38 1.50 -1.25 0.01 0.00 0.00 175.26 176.13 1j5n s PRO 7 N -0.14 4.22 -0.34 0.39 0.04 -1.26 -4.90 135.00 133.00 1j5n s PRO 7 Ca -0.03 2.02 0.09 0.00 0.04 0.00 0.00 61.00 63.12 1j5n s PRO 7 Cb -0.14 -3.81 0.72 0.00 0.04 0.00 0.00 34.50 31.31 1j5n s PRO 7 CO 0.04 -0.74 1.80 1.17 0.04 0.00 0.00 177.00 179.30 1j5n n LYS 8 N 6.50 3.39 0.00 4.56 0.00 -1.26 -4.95 118.16 126.40 1j5n n LYS 8 Ca 0.15 -3.08 0.00 0.00 0.00 0.00 0.00 58.31 55.38 1j5n n LYS 8 Cb 0.43 -2.18 0.00 0.00 0.00 0.00 0.00 35.03 33.28 1j5n n LYS 8 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1j5n n LYS 9 N -0.37 0.00 -4.15 1.64 5.02 -1.26 -5.18 118.16 113.86 1j5n n LYS 9 Ca 0.43 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.55 1j5n n LYS 9 Cb 1.40 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 36.29 1j5n n LYS 9 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1j5n s ARG 10 N -2.00 0.75 0.39 1.97 3.00 -1.26 -5.09 118.95 116.71 1j5n s ARG 10 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 55.73 54.79 1j5n s ARG 10 Cb 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 34.95 34.29 1j5n s ARG 10 CO 0.00 0.14 0.00 0.25 0.00 0.00 0.00 175.30 175.69 1j5n n THR 11 N 1.22 -0.37 0.00 0.02 -2.24 -1.26 -5.01 114.28 106.64 1j5n n THR 11 Ca -0.21 0.52 0.00 0.00 -2.27 0.00 0.00 64.05 62.09 1j5n n THR 11 Cb 0.55 -0.85 0.00 0.00 -2.10 0.00 0.00 70.33 67.92 1j5n n THR 11 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1j5n n THR 12 N -3.78 0.00 -0.90 4.28 5.66 -1.26 -5.09 114.28 113.19 1j5n n THR 12 Ca -0.05 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.71 1j5n n THR 12 Cb 0.54 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.23 1j5n n THR 12 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 1j5n n ARG 13 N 0.00 0.00 0.00 1.09 1.85 -1.26 -4.72 116.66 113.62 1j5n n ARG 13 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1j5n n ARG 13 Cb 0.00 -0.88 0.00 0.00 -1.05 0.00 0.00 32.46 30.53 1j5n n ARG 13 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1j5n n LYS 14 N 4.95 0.00 -3.68 2.89 4.81 -1.26 -5.13 118.16 120.74 1j5n n LYS 14 Ca 0.40 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.69 1j5n n LYS 14 Cb 0.02 -0.01 -0.08 0.00 0.02 0.00 0.00 35.03 34.98 1j5n n LYS 14 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 1j5n s LYS 15 N -0.11 0.77 0.00 1.64 -2.85 -1.26 -5.16 119.74 112.76 1j5n s LYS 15 Ca 0.00 0.13 0.00 0.00 -1.00 0.00 0.00 55.97 55.10 1j5n s LYS 15 Cb 0.00 0.35 0.00 0.00 -2.06 0.00 0.00 37.83 36.12 1j5n s LYS 15 CO 0.00 -0.20 0.00 1.17 0.10 0.00 0.00 175.35 176.42 1j5n n LYS 16 N 1.49 0.00 0.00 1.78 4.81 -1.26 -5.17 118.16 119.82 1j5n n LYS 16 Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.25 1j5n n LYS 16 Cb 0.56 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.61 1j5n n LYS 16 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1j5n n ASP 17 N 0.00 -1.01 0.35 3.14 8.00 -1.26 -4.51 116.55 121.26 1j5n n ASP 17 Ca 0.00 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 1j5n n ASP 17 Cb 0.00 0.75 -0.06 0.00 -0.02 0.00 0.00 41.12 41.78 1j5n n ASP 17 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1j5n h PRO 18 N 0.00 -0.85 0.00 -0.24 0.13 -1.98 -3.28 132.00 125.78 1j5n h PRO 18 Ca 0.00 0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 65.16 1j5n h PRO 18 Cb 0.00 0.19 -0.01 0.00 0.13 0.00 0.00 31.00 31.32 1j5n h PRO 18 CO 0.00 -0.57 -1.00 -0.91 -0.23 0.00 0.00 178.00 175.30 1j5n h ASN 19 N -0.89 0.00 -4.67 1.44 2.35 -1.91 -3.50 115.58 108.41 1j5n h ASN 19 Ca -0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 1j5n h ASN 19 Cb 0.67 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.04 1j5n h ASN 19 CO 0.15 0.11 -0.24 0.00 -1.65 0.00 0.00 177.43 175.79 1j5n n ALA 20 N -2.21 -1.24 -0.01 -0.83 0.00 -1.24 -4.87 120.51 110.10 1j5n n ALA 20 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.30 1j5n n ALA 20 Cb 0.60 -0.37 -0.09 0.00 0.00 0.00 0.00 19.45 19.60 1j5n n ALA 20 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1j5n h PRO 21 N 3.81 0.06 -1.21 0.00 0.11 -1.92 -3.49 132.00 129.36 1j5n h PRO 21 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1j5n h PRO 21 Cb 0.24 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.35 1j5n h PRO 21 CO 0.00 0.39 0.00 1.63 -0.21 0.00 0.00 178.00 179.81 1j5n n LYS 22 N -4.88 0.00 0.00 1.05 5.02 -1.26 -4.97 118.16 113.12 1j5n n LYS 22 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 1j5n n LYS 22 Cb 0.20 -1.21 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 1j5n n LYS 22 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1j5n n ARG 23 N -0.60 0.00 -2.67 1.97 1.85 -1.26 -4.85 116.66 111.09 1j5n n ARG 23 Ca 0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 57.85 56.77 1j5n n ARG 23 Cb 0.27 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 31.66 1j5n n ARG 23 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1j5n n ALA 24 N 0.95 0.11 -1.49 2.89 0.00 -1.26 -4.67 120.51 117.04 1j5n n ALA 24 Ca 0.00 -0.58 -0.12 0.00 0.00 0.00 0.00 53.44 52.74 1j5n n ALA 24 Cb 0.00 0.32 0.12 0.00 0.00 0.00 0.00 19.45 19.89 1j5n n ALA 24 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1j5n n LEU 25 N 0.00 0.00 -4.39 0.00 4.32 -1.26 -5.01 117.00 110.66 1j5n n LEU 25 Ca -0.05 -0.83 -0.20 0.00 -0.02 0.00 0.00 56.01 54.90 1j5n n LEU 25 Cb 0.16 -0.59 -0.10 0.00 -1.62 0.00 0.00 43.42 41.27 1j5n n LEU 25 CO 0.09 -1.10 -0.45 -0.55 -1.22 0.00 0.00 177.39 174.15 1j5n s SER 26 N -3.78 2.92 0.63 -1.43 0.15 -1.26 -4.84 113.70 106.09 1j5n s SER 26 Ca 0.44 -1.02 0.37 0.00 0.70 0.00 0.00 55.95 56.43 1j5n s SER 26 Cb -0.01 -0.19 2.00 0.00 -1.71 0.00 0.00 66.02 66.11 1j5n s SER 26 CO 0.31 -0.10 2.13 0.00 1.20 0.00 0.00 173.24 176.78 1j5n h ALA 27 N 2.47 1.12 0.05 5.45 0.00 -1.89 0.13 119.26 126.60 1j5n h ALA 27 Ca -0.39 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.29 1j5n h ALA 27 Cb 1.23 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1j5n h ALA 27 CO 0.61 -0.12 -1.06 -0.92 0.00 0.00 0.00 179.25 177.77 1j5n h TYR 28 N 0.00 0.27 -0.00 0.00 5.03 -1.95 -2.13 116.97 118.18 1j5n h TYR 28 Ca 0.00 -0.18 -0.00 0.00 2.58 0.00 0.00 58.73 61.12 1j5n h TYR 28 Cb 0.24 -0.02 0.00 0.00 1.55 0.00 0.00 36.73 38.51 1j5n h TYR 28 CO 0.00 1.10 -0.01 0.52 -1.32 0.00 0.00 178.16 178.45 1j5n h MET 29 N 0.06 0.02 -0.08 1.82 0.00 -1.14 0.40 114.93 116.00 1j5n h MET 29 Ca -0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 59.70 59.62 1j5n h MET 29 Cb 1.77 0.00 -0.00 0.00 0.00 0.00 0.00 31.60 33.37 1j5n h MET 29 CO 0.16 0.63 0.04 0.74 0.00 0.00 0.00 176.91 178.48 1j5n h PHE 30 N -0.59 0.13 0.12 -0.22 0.04 -1.58 0.30 116.94 115.14 1j5n h PHE 30 Ca -0.00 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 1j5n h PHE 30 Cb 0.63 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.75 1j5n h PHE 30 CO 0.14 0.23 -0.06 0.35 -0.60 0.00 0.00 178.31 178.37 1j5n h PHE 31 N -0.01 -0.15 -0.50 -0.55 3.57 -1.47 -2.56 116.94 115.26 1j5n h PHE 31 Ca 0.03 -0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.67 1j5n h PHE 31 Cb 0.16 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 1j5n h PHE 31 CO -0.02 -0.09 0.84 0.00 -2.23 0.00 0.00 178.31 176.81 1j5n h ALA 32 N -1.88 2.30 0.02 2.41 0.00 -0.28 0.78 119.26 122.60 1j5n h ALA 32 Ca -0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1j5n h ALA 32 Cb 0.13 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1j5n h ALA 32 CO 0.03 -1.10 -0.01 -0.91 0.00 0.00 0.00 179.25 177.26 1j5n h ASN 33 N 0.00 -0.02 -0.38 0.00 2.35 -0.10 0.60 115.58 118.03 1j5n h ASN 33 Ca 0.24 -0.35 -0.11 0.00 -0.55 0.00 0.00 56.30 55.52 1j5n h ASN 33 Cb 1.92 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 40.29 1j5n h ASN 33 CO -0.00 0.34 -0.20 -0.33 -1.65 0.00 0.00 177.43 175.59 1j5n h GLU 34 N -0.38 0.81 0.00 0.81 3.07 0.90 -2.72 114.58 117.07 1j5n h GLU 34 Ca -0.00 -0.36 0.00 0.00 -0.50 0.00 0.00 59.36 58.50 1j5n h GLU 34 Cb 0.37 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.26 1j5n h GLU 34 CO 0.00 0.99 0.00 0.09 -1.40 0.00 0.00 179.01 178.69 1j5n n ASN 35 N -4.25 0.01 0.17 1.42 3.02 -0.36 -2.26 115.26 113.02 1j5n n ASN 35 Ca -0.02 0.50 -0.13 0.00 -0.03 0.00 0.00 54.58 54.90 1j5n n ASN 35 Cb 0.43 -0.50 -0.08 0.00 -0.61 0.00 0.00 39.78 39.02 1j5n n ASN 35 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 1j5n h ARG 36 N 0.00 -0.44 -0.04 3.52 2.43 0.55 0.34 114.38 120.73 1j5n h ARG 36 Ca 0.00 0.03 -0.22 0.00 -0.81 0.00 0.00 59.98 58.98 1j5n h ARG 36 Cb 0.46 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1j5n h ARG 36 CO 0.00 -0.13 -0.87 0.38 -1.51 0.00 0.00 179.97 177.84 1j5n h ASP 37 N -0.81 0.62 0.00 -3.80 2.03 -1.60 -2.03 116.42 110.83 1j5n h ASP 37 Ca -0.05 -0.46 0.00 0.00 -0.73 0.00 0.00 57.03 55.79 1j5n h ASP 37 Cb 0.52 -0.19 0.00 0.00 -0.83 0.00 0.00 39.33 38.83 1j5n h ASP 37 CO 0.08 1.24 0.00 -0.38 -1.03 0.00 0.00 179.24 179.15 1j5n n ILE 38 N -3.81 0.00 -0.19 4.15 -0.00 -0.96 0.03 119.36 118.58 1j5n n ILE 38 Ca -0.07 1.18 -0.07 0.00 -0.00 0.00 0.00 62.75 63.80 1j5n n ILE 38 Cb 0.79 -2.14 -0.01 0.00 -0.00 0.00 0.00 39.64 38.28 1j5n n ILE 38 CO 0.00 0.00 0.00 0.58 -0.00 0.00 0.00 176.55 177.13 1j5n h VAL 39 N 0.00 0.15 0.00 1.39 2.07 -0.46 0.40 116.25 119.81 1j5n h VAL 39 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1j5n h VAL 39 Cb 0.00 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 29.92 1j5n h VAL 39 CO 0.00 0.00 -0.11 -0.09 0.02 0.00 0.00 177.57 177.39 1j5n h ARG 40 N -0.20 0.00 0.00 1.57 2.43 -1.44 -0.11 114.38 116.64 1j5n h ARG 40 Ca 0.21 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.33 1j5n h ARG 40 Cb 0.56 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 1j5n h ARG 40 CO -0.66 0.11 -0.20 1.03 -1.51 0.00 0.00 179.97 178.75 1j5n h SER 41 N 0.00 0.00 0.32 -3.80 0.87 0.36 0.45 113.55 111.75 1j5n h SER 41 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1j5n h SER 41 Cb 0.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1j5n h SER 41 CO 0.01 0.20 -1.35 -0.62 -0.53 0.00 0.00 176.83 174.54 1j5n n GLU 42 N -3.49 0.43 -2.99 2.24 1.02 -0.30 -4.60 120.64 112.95 1j5n n GLU 42 Ca -0.01 -0.05 -0.15 0.00 -0.02 0.00 0.00 57.16 56.93 1j5n n GLU 42 Cb 0.36 -1.59 0.01 0.00 -0.02 0.00 0.00 31.44 30.20 1j5n n GLU 42 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1j5n n ASN 43 N -2.11 -0.73 0.10 1.62 3.02 -0.21 -4.97 115.26 111.98 1j5n n ASN 43 Ca -0.00 -3.22 0.04 0.00 -0.03 0.00 0.00 54.58 51.38 1j5n n ASN 43 Cb 0.49 0.48 0.47 0.00 -0.61 0.00 0.00 39.78 40.61 1j5n n ASN 43 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1j5n h PRO 44 N 3.28 0.31 -0.93 3.52 0.11 -0.37 -2.03 132.00 135.88 1j5n h PRO 44 Ca 0.00 -0.03 -0.64 0.00 0.11 0.00 0.00 66.00 65.44 1j5n h PRO 44 Cb 1.00 -0.06 -0.32 0.00 0.11 0.00 0.00 31.00 31.73 1j5n h PRO 44 CO 0.36 0.27 0.46 -0.25 -0.21 0.00 0.00 178.00 178.63 1j5n n ASP 45 N -4.43 6.89 -0.06 -2.05 9.92 -1.26 -4.58 116.55 120.98 1j5n n ASP 45 Ca 0.00 -3.78 -0.21 0.00 -0.53 0.00 0.00 54.79 50.27 1j5n n ASP 45 Cb 0.13 -0.82 -0.13 0.00 -0.64 0.00 0.00 41.12 39.67 1j5n n ASP 45 CO 0.00 0.00 0.00 -0.29 0.13 0.00 0.00 177.20 177.04 1j5n h ILE 46 N 1.28 0.90 0.00 0.53 2.10 -1.74 -3.51 117.51 117.07 1j5n h ILE 46 Ca 0.55 -2.26 0.00 0.00 1.08 0.00 0.00 64.86 64.23 1j5n h ILE 46 Cb 1.04 2.42 0.00 0.00 -1.09 0.00 0.00 36.82 39.19 1j5n h ILE 46 CO 1.37 0.52 0.00 0.41 -1.08 0.00 0.00 178.15 179.38 1j5n n THR 47 N -4.14 0.00 -0.06 2.19 -1.04 -1.26 -4.61 114.28 105.36 1j5n n THR 47 Ca -0.30 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.63 1j5n n THR 47 Cb 0.79 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.29 1j5n n THR 47 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 1j5n h PHE 48 N 0.00 0.17 0.00 -1.42 3.57 -1.98 -0.09 116.94 117.18 1j5n h PHE 48 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1j5n h PHE 48 Cb 0.00 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.70 1j5n h PHE 48 CO 0.00 0.09 0.00 0.41 -2.23 0.00 0.00 178.31 176.58 1j5n n GLY 49 N -1.18 -0.65 0.04 2.40 0.00 -1.26 -0.39 105.19 104.16 1j5n n GLY 49 Ca -0.02 -0.12 -0.04 0.00 0.00 0.00 0.00 46.02 45.84 1j5n n GLY 49 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1j5n n GLN 50 N -1.04 0.26 -0.11 1.61 1.13 -0.23 -3.91 117.38 115.10 1j5n n GLN 50 Ca 0.14 0.13 -0.12 0.00 -1.94 0.00 0.00 57.00 55.21 1j5n n GLN 50 Cb 0.08 -0.99 -0.03 0.00 0.11 0.00 0.00 30.24 29.41 1j5n n GLN 50 CO 0.00 0.00 0.00 -0.24 -1.44 0.00 0.00 177.06 175.38 1j5n h VAL 51 N -0.50 1.29 0.79 5.09 3.04 -1.15 0.57 116.25 125.38 1j5n h VAL 51 Ca 0.00 -1.24 -0.04 0.00 -1.01 0.00 0.00 66.70 64.41 1j5n h VAL 51 Cb 0.48 1.39 0.01 0.00 -2.01 0.00 0.00 31.29 31.16 1j5n h VAL 51 CO 0.00 0.40 -0.38 1.23 -1.01 0.00 0.00 177.57 177.81 1j5n h GLY 52 N 0.45 -1.11 1.99 3.17 0.00 -0.89 0.42 103.07 107.11 1j5n h GLY 52 Ca 0.08 0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.82 1j5n h GLY 52 CO 0.05 -0.40 0.00 1.70 0.00 0.00 0.00 176.54 177.88 1j5n h LYS 53 N -1.17 0.00 0.00 4.80 3.11 -1.65 0.14 116.57 121.80 1j5n h LYS 53 Ca -0.11 0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 57.64 1j5n h LYS 53 Cb 0.82 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.03 1j5n h LYS 53 CO 0.18 0.00 -0.44 -0.22 -2.81 0.00 0.00 179.45 176.16 1j5n h LYS 54 N 0.00 0.00 -0.11 1.90 1.63 -0.64 -2.53 116.57 116.81 1j5n h LYS 54 Ca 0.00 0.00 -0.21 0.00 -0.85 0.00 0.00 60.65 59.59 1j5n h LYS 54 Cb 0.01 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.65 1j5n h LYS 54 CO -0.00 0.44 -0.79 -0.07 -3.45 0.00 0.00 179.45 175.58 1j5n h LEU 55 N 0.00 0.75 0.30 5.20 3.38 0.26 -0.79 115.31 124.42 1j5n h LEU 55 Ca -0.00 -0.50 -0.01 0.00 0.09 0.00 0.00 57.88 57.45 1j5n h LEU 55 Cb 1.10 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1j5n h LEU 55 CO 0.06 1.28 -0.15 1.23 0.09 0.00 0.00 178.44 180.95 1j5n h GLY 56 N 0.86 -0.43 0.85 0.83 0.00 -1.33 0.36 103.07 104.21 1j5n h GLY 56 Ca -0.05 0.16 0.01 0.00 0.00 0.00 0.00 47.33 47.45 1j5n h GLY 56 CO 0.15 -0.16 -0.09 1.05 0.00 0.00 0.00 176.54 177.50 1j5n h GLU 57 N -0.86 -0.17 -0.01 4.80 4.11 -1.56 -1.65 114.58 119.24 1j5n h GLU 57 Ca -0.04 0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.37 1j5n h GLU 57 Cb 0.52 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 1j5n h GLU 57 CO 0.07 -0.11 -0.14 0.87 0.07 0.00 0.00 179.01 179.77 1j5n h LYS 58 N -0.17 0.02 0.19 1.06 1.79 -1.22 0.24 116.57 118.48 1j5n h LYS 58 Ca 0.02 -0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.49 1j5n h LYS 58 Cb 0.19 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.81 1j5n h LYS 58 CO -0.05 0.16 -0.21 2.35 -1.08 0.00 0.00 179.45 180.61 1j5n h TRP 59 N 0.02 -0.56 -0.01 -1.35 -0.00 0.68 -2.12 115.95 112.61 1j5n h TRP 59 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.90 1j5n h TRP 59 Cb 0.25 0.22 0.00 0.00 -0.00 0.00 0.00 29.16 29.63 1j5n h TRP 59 CO 0.00 -0.31 -0.14 1.63 -0.00 0.00 0.00 178.44 179.61 1j5n n LYS 60 N -5.34 1.07 0.10 2.65 5.02 -0.96 -3.88 118.16 116.83 1j5n n LYS 60 Ca -0.08 -0.58 -0.17 0.00 -2.02 0.00 0.00 58.31 55.47 1j5n n LYS 60 Cb 0.25 -1.49 -0.13 0.00 -0.02 0.00 0.00 35.03 33.64 1j5n n LYS 60 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1j5n h ALA 61 N 3.89 0.10 -1.80 7.82 0.00 0.09 -3.38 119.26 125.97 1j5n h ALA 61 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 54.06 1j5n h ALA 61 Cb 0.46 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1j5n h ALA 61 CO 0.00 0.91 0.00 1.28 0.00 0.00 0.00 179.25 181.44 1j5n n LEU 62 N -3.59 0.00 0.00 0.00 4.77 -0.85 -5.03 117.00 112.29 1j5n n LEU 62 Ca -0.09 0.70 0.00 0.00 -0.03 0.00 0.00 56.01 56.59 1j5n n LEU 62 Cb 1.00 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.89 1j5n n LEU 62 CO 0.54 -0.20 0.00 0.41 -1.33 0.00 0.00 177.39 176.81 1j5n n THR 63 N -1.21 0.00 -0.32 -5.08 -1.04 -1.26 -4.87 114.28 100.50 1j5n n THR 63 Ca 0.00 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.12 1j5n n THR 63 Cb 0.00 0.00 0.24 0.00 -1.82 0.00 0.00 70.33 68.75 1j5n n THR 63 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1j5n h PRO 64 N 0.00 0.04 -0.42 -2.82 0.11 -1.93 0.53 132.00 127.52 1j5n h PRO 64 Ca 0.00 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.15 1j5n h PRO 64 Cb 0.00 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.06 1j5n h PRO 64 CO 0.00 0.03 0.18 1.49 -0.21 0.00 0.00 178.00 179.49 1j5n h GLU 65 N 0.05 0.35 -0.06 1.05 4.81 -2.00 0.11 114.58 118.89 1j5n h GLU 65 Ca 0.54 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.76 1j5n h GLU 65 Cb 1.04 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.34 1j5n h GLU 65 CO -0.85 0.23 0.07 0.93 -0.73 0.00 0.00 179.01 178.66 1j5n h GLU 66 N 0.36 0.00 0.00 1.92 4.39 -0.33 0.45 114.58 121.38 1j5n h GLU 66 Ca 0.19 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.74 1j5n h GLU 66 Cb 0.13 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 1j5n h GLU 66 CO -0.16 0.00 -0.75 0.87 -1.16 0.00 0.00 179.01 177.81 1j5n h LYS 67 N 0.00 0.00 -0.56 2.33 1.57 0.52 -3.37 116.57 117.06 1j5n h LYS 67 Ca 0.03 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.91 1j5n h LYS 67 Cb 0.16 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.37 1j5n h LYS 67 CO -0.00 0.60 -0.16 1.04 -0.57 0.00 0.00 179.45 180.37 1j5n n GLN 68 N -3.22 -0.07 0.15 3.15 6.02 0.15 0.56 117.38 124.13 1j5n n GLN 68 Ca -0.00 0.88 -0.14 0.00 -0.01 0.00 0.00 57.00 57.72 1j5n n GLN 68 Cb 0.80 -1.31 -0.07 0.00 1.02 0.00 0.00 30.24 30.69 1j5n n GLN 68 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1j5n h PRO 69 N 0.00 -0.62 0.00 -1.09 0.11 -1.76 -0.34 132.00 128.30 1j5n h PRO 69 Ca 0.26 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.41 1j5n h PRO 69 Cb 0.40 0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.65 1j5n h PRO 69 CO -0.58 -0.41 -0.05 1.88 -0.21 0.00 0.00 178.00 178.63 1j5n h TYR 70 N -0.64 0.00 -0.97 0.65 0.05 -0.42 -1.71 116.97 113.92 1j5n h TYR 70 Ca 0.01 0.00 0.19 0.00 0.05 0.00 0.00 58.73 58.98 1j5n h TYR 70 Cb 0.64 0.00 -0.18 0.00 1.01 0.00 0.00 36.73 38.19 1j5n h TYR 70 CO -0.28 0.00 -0.24 1.49 -1.05 0.00 0.00 178.16 178.08 1j5n h GLU 71 N -0.89 -0.00 -0.79 4.88 4.22 -0.02 3.19 114.58 125.17 1j5n h GLU 71 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.43 1j5n h GLU 71 Cb 0.05 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 1j5n h GLU 71 CO 0.00 -0.00 0.47 0.00 -2.18 0.00 0.00 179.01 177.30 1j5n h ALA 72 N 1.97 1.01 0.00 2.92 0.00 -1.14 0.44 119.26 124.45 1j5n h ALA 72 Ca 0.47 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1j5n h ALA 72 Cb 0.71 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1j5n h ALA 72 CO -1.00 0.48 0.00 -0.22 0.00 0.00 0.00 179.25 178.51 1j5n h LYS 73 N 1.08 0.00 -0.00 0.00 3.11 0.61 -0.84 116.57 120.53 1j5n h LYS 73 Ca 0.28 0.00 -0.05 0.00 -2.81 0.00 0.00 60.65 58.07 1j5n h LYS 73 Cb -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.21 1j5n h LYS 73 CO -0.05 0.00 -0.19 0.00 -2.81 0.00 0.00 179.45 176.40 1j5n h ALA 74 N 2.01 0.02 -0.28 5.00 0.00 0.65 -1.40 119.26 125.25 1j5n h ALA 74 Ca 0.00 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1j5n h ALA 74 Cb 0.03 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1j5n h ALA 74 CO 0.00 0.04 0.13 1.96 0.00 0.00 0.00 179.25 181.38 1j5n h GLN 75 N -0.58 0.39 -0.34 0.00 4.20 -0.78 0.39 115.11 118.39 1j5n h GLN 75 Ca -0.02 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 1j5n h GLN 75 Cb 0.95 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.64 1j5n h GLN 75 CO 0.04 0.31 0.14 0.00 -0.67 0.00 0.00 178.83 178.65 1j5n h ALA 76 N 1.75 0.44 0.00 3.87 0.00 -1.13 -2.13 119.26 122.06 1j5n h ALA 76 Ca 0.10 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1j5n h ALA 76 Cb 0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1j5n h ALA 76 CO -0.01 0.04 -0.26 0.22 0.00 0.00 0.00 179.25 179.23 1j5n h ASP 77 N 0.40 0.00 -0.23 0.00 1.82 -0.35 -2.31 116.42 115.75 1j5n h ASP 77 Ca 0.11 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.75 1j5n h ASP 77 Cb 0.18 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.18 1j5n h ASP 77 CO -0.01 0.26 0.14 0.50 -1.61 0.00 0.00 179.24 178.51 1j5n h LYS 78 N 0.00 0.31 -0.36 0.28 3.11 0.37 -2.44 116.57 117.85 1j5n h LYS 78 Ca -0.00 -0.03 -0.09 0.00 -2.81 0.00 0.00 60.65 57.71 1j5n h LYS 78 Cb 0.85 -0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 32.00 1j5n h LYS 78 CO 0.03 0.26 -0.15 0.87 -2.81 0.00 0.00 179.45 177.65 1j5n h LYS 79 N 0.28 0.73 -0.90 1.90 6.56 -1.35 -0.82 116.57 122.96 1j5n h LYS 79 Ca 0.08 -0.31 0.10 0.00 -1.06 0.00 0.00 60.65 59.47 1j5n h LYS 79 Cb 0.03 -0.03 -0.12 0.00 -0.57 0.00 0.00 32.23 31.54 1j5n h LYS 79 CO -0.01 0.91 -0.46 -2.13 -2.06 0.00 0.00 179.45 175.70 1j5n n ARG 80 N -4.33 -0.32 0.05 3.15 3.00 -0.88 0.10 116.66 117.43 1j5n n ARG 80 Ca -0.02 1.37 -0.09 0.00 -0.00 0.00 0.00 57.85 59.11 1j5n n ARG 80 Cb 0.39 -2.02 0.05 0.00 0.00 0.00 0.00 32.46 30.88 1j5n n ARG 80 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.63 176.71 1j5n h TYR 81 N 0.00 0.50 -0.65 -0.14 5.03 -1.42 -3.00 116.97 117.29 1j5n h TYR 81 Ca 0.21 -0.21 0.19 0.00 2.58 0.00 0.00 58.73 61.50 1j5n h TYR 81 Cb 0.43 -0.08 -0.03 0.00 1.55 0.00 0.00 36.73 38.61 1j5n h TYR 81 CO -0.87 0.94 0.85 1.49 -1.32 0.00 0.00 178.16 179.25 1j5n h GLU 82 N 0.27 0.00 -0.03 1.82 4.81 0.22 0.73 114.58 122.40 1j5n h GLU 82 Ca -0.02 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 1j5n h GLU 82 Cb 1.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1j5n h GLU 82 CO 0.11 0.00 -0.17 0.66 -0.73 0.00 0.00 179.01 178.88 1j5n h SER 83 N 0.00 0.20 0.65 1.04 4.64 -1.09 -1.32 113.55 117.67 1j5n h SER 83 Ca 0.31 -0.67 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1j5n h SER 83 Cb 2.01 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 64.04 1j5n h SER 83 CO -0.00 0.84 0.00 -1.84 -0.87 0.00 0.00 176.83 174.96 1j5n n GLU 84 N -4.59 0.10 -0.10 4.77 0.28 0.24 -1.99 120.64 119.36 1j5n n GLU 84 Ca -0.09 0.32 -0.20 0.00 -0.16 0.00 0.00 57.16 57.03 1j5n n GLU 84 Cb 0.43 -1.68 -0.11 0.00 1.43 0.00 0.00 31.44 31.50 1j5n n GLU 84 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 177.13 178.54 1j5n h LYS 85 N 0.00 0.00 -0.85 3.44 2.10 -1.11 -0.15 116.57 120.00 1j5n h LYS 85 Ca 0.00 0.00 0.17 0.00 -2.00 0.00 0.00 60.65 58.82 1j5n h LYS 85 Cb 0.32 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.59 1j5n h LYS 85 CO 0.00 0.97 0.56 1.05 -2.00 0.00 0.00 179.45 180.03 1j5n h GLU 86 N -1.00 0.48 0.21 0.07 4.11 -1.12 0.22 114.58 117.55 1j5n h GLU 86 Ca -0.30 -0.03 -0.31 0.00 0.07 0.00 0.00 59.36 58.79 1j5n h GLU 86 Cb 1.25 -0.11 0.03 0.00 0.50 0.00 0.00 28.75 30.42 1j5n h GLU 86 CO -0.18 0.32 -1.42 1.25 0.07 0.00 0.00 179.01 179.04 1j5n h LEU 87 N 0.49 0.69 -0.80 3.06 6.46 -1.53 -1.64 115.31 122.05 1j5n h LEU 87 Ca 0.43 -0.93 0.29 0.00 -0.12 0.00 0.00 57.88 57.56 1j5n h LEU 87 Cb 0.94 -0.23 -0.15 0.00 -0.73 0.00 0.00 40.66 40.50 1j5n h LEU 87 CO -0.17 1.67 0.27 0.00 -0.62 0.00 0.00 178.44 179.59 1j5n n TYR 88 N -3.78 0.77 -0.04 1.25 9.36 0.01 0.20 117.16 124.92 1j5n n TYR 88 Ca -0.19 0.95 -0.09 0.00 3.32 0.00 0.00 57.90 61.89 1j5n n TYR 88 Cb 1.03 -1.26 -0.14 0.00 -0.63 0.00 0.00 39.34 38.34 1j5n n TYR 88 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1j5n n ASN 89 N -4.92 0.71 0.00 2.98 3.02 -0.87 -1.69 115.26 114.49 1j5n n ASN 89 Ca 0.26 0.30 0.09 0.00 -0.03 0.00 0.00 54.58 55.20 1j5n n ASN 89 Cb 0.87 0.17 0.51 0.00 -0.61 0.00 0.00 39.78 40.72 1j5n n ASN 89 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1j5n n ALA 90 N -2.62 2.32 0.00 5.41 0.00 0.52 -1.71 120.51 124.43 1j5n n ALA 90 Ca -0.22 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1j5n n ALA 90 Cb 1.08 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 19.25 1j5n n ALA 90 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1j5n n THR 91 N -0.87 0.00 0.11 0.00 -1.04 0.21 -4.83 114.28 107.86 1j5n n THR 91 Ca 0.13 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 62.11 1j5n n THR 91 Cb 0.06 -0.52 0.20 0.00 -1.82 0.00 0.00 70.33 68.25 1j5n n THR 91 CO 0.00 0.00 0.00 0.17 -0.64 0.00 0.00 175.07 174.60 1j5n h LEU 92 N 0.00 0.20 0.00 -4.42 8.10 -1.42 -3.51 115.31 114.26 1j5n h LEU 92 Ca 0.00 -0.10 0.00 0.00 0.11 0.00 0.00 57.88 57.89 1j5n h LEU 92 Cb 0.30 -0.06 0.00 0.00 -0.44 0.00 0.00 40.66 40.46 1j5n h LEU 92 CO 0.00 0.67 0.00 0.00 -4.11 0.00 0.00 178.44 175.00