#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pjp s ILE 17 N 0.00 4.65 -0.91 1.39 1.01 0.02 -3.97 121.20 123.38 1pjp s ILE 17 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.57 1pjp s ILE 17 Cb 0.00 -3.11 0.00 0.00 0.01 0.00 0.00 42.46 39.36 1pjp s ILE 17 CO 0.00 0.44 0.00 0.61 0.00 0.00 0.00 174.94 175.99 1pjp n GLY 18 N 3.82 0.73 2.87 6.18 0.00 -1.26 -1.95 105.19 115.58 1pjp n GLY 18 Ca -0.16 -0.58 -0.14 0.00 0.00 0.00 0.00 46.02 45.13 1pjp n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pjp n GLY 19 N -1.58 1.91 3.24 -0.02 0.00 -1.26 -4.83 105.19 102.64 1pjp n GLY 19 Ca -0.10 -2.19 -0.23 0.00 0.00 0.00 0.00 46.02 43.50 1pjp n GLY 19 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pjp s THR 20 N -1.66 1.55 0.29 2.61 -4.23 -0.28 -4.87 115.64 109.04 1pjp s THR 20 Ca 0.45 -1.36 -0.30 0.00 -1.18 0.00 0.00 61.69 59.30 1pjp s THR 20 Cb -0.04 -1.40 -0.11 0.00 1.34 0.00 0.00 72.50 72.30 1pjp s THR 20 CO 0.29 -0.01 1.56 -0.70 -0.54 0.00 0.00 174.62 175.21 1pjp s GLU 21 N -1.62 4.15 0.67 3.99 2.12 -1.26 -0.29 118.70 126.46 1pjp s GLU 21 Ca 0.05 2.52 -0.11 0.00 0.36 0.00 0.00 54.97 57.79 1pjp s GLU 21 Cb -0.09 -3.04 -0.01 0.00 0.26 0.00 0.00 34.13 31.25 1pjp s GLU 21 CO 0.03 -0.58 1.05 0.00 -0.54 0.00 0.00 175.26 175.22 1pjp s LYS 23 N -4.96 4.32 -0.08 0.00 2.20 -1.26 -4.87 119.74 115.10 1pjp s LYS 23 Ca 0.58 2.05 -0.39 0.00 -0.36 0.00 0.00 55.97 57.85 1pjp s LYS 23 Cb -0.14 -3.29 -0.17 0.00 -1.51 0.00 0.00 37.83 32.72 1pjp s LYS 23 CO 0.53 -0.44 1.45 -2.30 -0.36 0.00 0.00 175.35 174.22 1pjp n PRO 24 N 4.11 0.92 -1.17 4.03 -0.02 -1.26 -1.55 135.00 140.06 1pjp n PRO 24 Ca 0.12 0.33 -0.06 0.00 -2.02 0.00 0.00 63.50 61.87 1pjp n PRO 24 Cb 0.43 -1.96 -0.02 0.00 -0.02 0.00 0.00 33.50 31.92 1pjp n PRO 24 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1pjp n HIS 25 N 3.38 0.00 0.95 6.00 8.25 -1.26 -4.89 115.22 127.65 1pjp n HIS 25 Ca 0.22 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.79 1pjp n HIS 25 Cb 0.14 -1.71 0.53 0.00 1.12 0.00 0.00 29.99 30.07 1pjp n HIS 25 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1pjp n SER 26 N -0.35 0.00 -3.24 0.41 3.41 -0.60 -3.51 113.62 109.74 1pjp n SER 26 Ca -0.06 0.20 -0.25 0.00 -0.26 0.00 0.00 58.87 58.50 1pjp n SER 26 Cb 0.35 -0.38 -0.06 0.00 -0.26 0.00 0.00 64.21 63.86 1pjp n SER 26 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1pjp n ARG 27 N -1.38 1.88 0.26 4.33 3.00 -1.26 -4.98 116.66 118.51 1pjp n ARG 27 Ca 0.08 -4.09 0.15 0.00 -0.01 0.00 0.00 57.85 53.99 1pjp n ARG 27 Cb 0.22 -1.86 0.70 0.00 0.00 0.00 0.00 32.46 31.52 1pjp n ARG 27 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 1pjp h PRO 28 N 3.78 0.00 0.00 5.56 0.13 -1.74 -1.44 132.00 138.29 1pjp h PRO 28 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1pjp h PRO 28 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1pjp h PRO 28 CO 0.68 0.00 -0.36 2.48 -0.23 0.00 0.00 178.00 180.57 1pjp n TYR 29 N -3.04 0.21 -1.96 1.56 0.18 -1.18 -2.36 117.16 110.57 1pjp n TYR 29 Ca 0.01 0.06 -0.42 0.00 1.88 0.00 0.00 57.90 59.43 1pjp n TYR 29 Cb 0.54 -0.47 -0.03 0.00 -0.38 0.00 0.00 39.34 39.00 1pjp n TYR 29 CO 0.00 0.00 0.00 -1.64 -2.08 0.00 0.00 176.86 173.14 1pjp s MET 30 N -3.05 4.23 -0.07 -3.48 -1.94 -0.55 -0.81 119.30 113.63 1pjp s MET 30 Ca 0.11 2.33 0.03 0.00 -1.71 0.00 0.00 55.69 56.45 1pjp s MET 30 Cb 0.16 -3.16 -0.02 0.00 2.01 0.00 0.00 34.83 33.82 1pjp s MET 30 CO 0.65 -0.58 -0.16 0.00 -0.01 0.00 0.00 175.02 174.93 1pjp s ALA 31 N 1.06 2.56 -0.21 3.03 0.00 -0.34 -4.43 121.76 123.44 1pjp s ALA 31 Ca 0.69 -0.97 -0.07 0.00 0.00 0.00 0.00 51.96 51.61 1pjp s ALA 31 Cb -0.43 -0.98 -0.04 0.00 0.00 0.00 0.00 23.12 21.67 1pjp s ALA 31 CO 0.32 0.45 0.07 -0.47 0.00 0.00 0.00 175.76 176.13 1pjp s TYR 32 N -0.34 3.18 -0.14 0.00 5.04 -0.61 -2.29 117.35 122.18 1pjp s TYR 32 Ca 0.03 -0.11 -0.02 0.00 -2.44 0.00 0.00 57.07 54.53 1pjp s TYR 32 Cb -0.13 -2.15 -0.02 0.00 0.35 0.00 0.00 41.96 40.01 1pjp s TYR 32 CO 0.02 -0.06 -0.07 -0.51 -1.34 0.00 0.00 175.55 173.60 1pjp s LEU 33 N 0.91 3.09 -0.25 6.97 1.43 -0.17 -0.97 118.68 129.69 1pjp s LEU 33 Ca 0.04 -0.18 -0.05 0.00 -1.03 0.00 0.00 54.13 52.91 1pjp s LEU 33 Cb -0.14 -1.72 -0.00 0.00 0.03 0.00 0.00 46.19 44.36 1pjp s LEU 33 CO 0.03 0.19 0.01 -0.70 0.23 0.00 0.00 176.35 176.11 1pjp s GLU 34 N 0.23 3.25 -0.19 1.70 2.12 -0.56 -2.14 118.70 123.11 1pjp s GLU 34 Ca -0.05 -0.73 -0.06 0.00 0.36 0.00 0.00 54.97 54.50 1pjp s GLU 34 Cb -0.14 -3.17 -0.03 0.00 0.26 0.00 0.00 34.13 31.05 1pjp s GLU 34 CO 0.04 -0.30 0.02 0.42 -0.54 0.00 0.00 175.26 174.90 1pjp s ILE 35 N 1.48 4.30 -0.23 -3.70 1.01 0.11 -1.71 121.20 122.46 1pjp s ILE 35 Ca 0.04 -0.20 -0.11 0.00 0.00 0.00 0.00 60.65 60.38 1pjp s ILE 35 Cb -0.16 -2.94 -0.05 0.00 0.01 0.00 0.00 42.46 39.33 1pjp s ILE 35 CO -0.01 0.44 0.16 -0.69 0.00 0.00 0.00 174.94 174.85 1pjp s VAL 36 N 0.68 5.36 0.41 2.92 1.01 -0.19 -0.82 120.40 129.78 1pjp s VAL 36 Ca 0.01 0.21 0.08 0.00 0.00 0.00 0.00 61.98 62.27 1pjp s VAL 36 Cb -0.14 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 1pjp s VAL 36 CO 0.02 0.36 0.32 0.42 0.00 0.00 0.00 175.10 176.22 1pjp s THR 36 N 0.93 2.58 -0.12 3.92 -4.23 -1.26 0.44 115.64 117.89 1pjp s THR 36 Ca 0.08 -1.44 -0.27 0.00 -1.18 0.00 0.00 61.69 58.88 1pjp s THR 36 Cb -0.13 -3.00 -0.27 0.00 1.34 0.00 0.00 72.50 70.44 1pjp s THR 36 CO 0.03 -0.00 0.79 0.77 -0.54 0.00 0.00 174.62 175.67 1pjp h SER 36 N 1.14 0.10 -1.01 3.99 4.64 -1.98 -3.39 113.55 117.04 1pjp h SER 36 Ca -0.42 -0.99 -0.65 0.00 -0.47 0.00 0.00 61.79 59.26 1pjp h SER 36 Cb 1.26 -0.03 -0.33 0.00 -0.31 0.00 0.00 62.40 62.99 1pjp h SER 36 CO 0.61 1.09 0.43 0.59 -0.87 0.00 0.00 176.83 178.68 1pjp n ASN 36 N -4.50 6.95 -3.69 4.97 4.13 -1.26 -5.01 115.26 116.85 1pjp n ASN 36 Ca -0.11 -3.78 0.03 0.00 1.68 0.00 0.00 54.58 52.39 1pjp n ASN 36 Cb 0.56 -0.81 0.00 0.00 -1.54 0.00 0.00 39.78 37.98 1pjp n ASN 36 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1pjp s GLY 37 N -2.26 -0.34 1.07 7.41 0.00 -1.26 -5.16 107.32 106.78 1pjp s GLY 37 Ca 0.60 0.53 -0.12 0.00 0.00 0.00 0.00 44.72 45.73 1pjp s GLY 37 CO -0.03 2.10 1.06 -4.14 0.00 0.00 0.00 173.10 172.10 1pjp s PRO 38 N -2.20 -0.20 0.63 2.90 0.02 -1.26 -4.52 135.00 130.37 1pjp s PRO 38 Ca 0.20 0.82 -0.17 0.00 0.02 0.00 0.00 61.00 61.87 1pjp s PRO 38 Cb 0.04 -1.64 -0.02 0.00 0.02 0.00 0.00 34.50 32.90 1pjp s PRO 38 CO -0.04 -3.24 1.13 -1.54 -0.33 0.00 0.00 177.00 172.99 1pjp s SER 39 N -2.86 5.24 0.41 2.53 1.04 -1.26 -4.60 113.70 114.19 1pjp s SER 39 Ca 0.67 2.10 0.07 0.00 0.48 0.00 0.00 55.95 59.27 1pjp s SER 39 Cb -0.22 -2.57 -0.07 0.00 0.10 0.00 0.00 66.02 63.26 1pjp s SER 39 CO 0.61 -1.55 0.09 -0.54 0.98 0.00 0.00 173.24 172.83 1pjp s LYS 40 N -3.80 2.08 0.05 4.02 1.02 -0.00 -4.94 119.74 118.17 1pjp s LYS 40 Ca 0.70 -1.98 -0.04 0.00 0.02 0.00 0.00 55.97 54.67 1pjp s LYS 40 Cb -0.23 -1.80 -0.02 0.00 -0.52 0.00 0.00 37.83 35.26 1pjp s LYS 40 CO 0.37 -0.07 0.05 -0.59 -0.92 0.00 0.00 175.35 174.19 1pjp s PHE 41 N -2.65 0.34 0.34 3.18 -0.71 -1.26 0.08 117.98 117.30 1pjp s PHE 41 Ca 0.38 -0.79 -0.13 0.00 -1.04 0.00 0.00 56.93 55.34 1pjp s PHE 41 Cb 0.07 -0.24 0.03 0.00 -1.21 0.00 0.00 43.02 41.67 1pjp s PHE 41 CO 0.20 -0.40 0.67 0.00 -1.34 0.00 0.00 175.22 174.35 1pjp n GLY 43 N -0.51 2.34 0.00 0.00 0.00 0.11 -1.00 105.19 106.12 1pjp n GLY 43 Ca -0.05 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.81 1pjp n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pjp n GLY 44 N 3.67 -0.51 3.16 -0.02 0.00 -0.97 -4.33 105.19 106.19 1pjp n GLY 44 Ca 0.02 -1.12 -0.13 0.00 0.00 0.00 0.00 46.02 44.79 1pjp n GLY 44 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1pjp s PHE 45 N -2.00 -0.23 -0.22 1.61 -0.71 -0.49 -1.20 117.98 114.73 1pjp s PHE 45 Ca 0.00 0.54 -0.29 0.00 -1.04 0.00 0.00 56.93 56.14 1pjp s PHE 45 Cb 0.00 0.08 -0.01 0.00 -1.21 0.00 0.00 43.02 41.88 1pjp s PHE 45 CO 0.00 -0.20 1.37 -1.17 -1.34 0.00 0.00 175.22 173.88 1pjp s LEU 46 N -0.29 4.02 -0.04 -1.99 2.96 0.01 -0.80 118.68 122.55 1pjp s LEU 46 Ca -0.04 1.52 0.14 0.00 -0.22 0.00 0.00 54.13 55.53 1pjp s LEU 46 Cb -0.03 -3.54 -0.22 0.00 0.50 0.00 0.00 46.19 42.90 1pjp s LEU 46 CO 0.01 -0.99 0.27 2.30 -1.32 0.00 0.00 176.35 176.62 1pjp n ILE 47 N 5.91 0.19 -3.99 6.68 -5.35 -0.40 -0.70 119.36 121.70 1pjp n ILE 47 Ca 0.15 -0.38 -0.08 0.00 -0.27 0.00 0.00 62.75 62.16 1pjp n ILE 47 Cb 0.45 0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 38.26 1pjp n ILE 47 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1pjp s ARG 48 N -2.88 0.56 0.60 6.28 1.81 -1.09 -4.59 118.95 119.63 1pjp s ARG 48 Ca -0.06 -0.89 0.29 0.00 -1.72 0.00 0.00 55.73 53.35 1pjp s ARG 48 Cb 0.08 0.21 1.51 0.00 -0.45 0.00 0.00 34.95 36.30 1pjp s ARG 48 CO 0.60 -0.12 1.92 0.00 -0.68 0.00 0.00 175.30 177.02 1pjp h ARG 49 N 3.62 0.00 0.00 3.54 3.08 -1.93 -1.36 114.38 121.33 1pjp h ARG 49 Ca -0.33 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.71 1pjp h ARG 49 Cb 1.18 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.20 1pjp h ARG 49 CO 0.54 0.00 -0.29 0.27 -1.07 0.00 0.00 179.97 179.42 1pjp n ASN 50 N -3.59 1.73 -3.78 7.04 6.94 -1.26 -0.37 115.26 121.97 1pjp n ASN 50 Ca 0.06 -3.07 -0.16 0.00 -0.02 0.00 0.00 54.58 51.39 1pjp n ASN 50 Cb 0.59 -0.41 -0.16 0.00 -2.36 0.00 0.00 39.78 37.43 1pjp n ASN 50 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 1pjp s PHE 51 N -2.33 0.15 -0.09 -2.53 0.08 -0.51 -0.90 117.98 111.85 1pjp s PHE 51 Ca 0.29 0.09 0.03 0.00 0.12 0.00 0.00 56.93 57.46 1pjp s PHE 51 Cb 0.27 -0.34 -0.01 0.00 -0.57 0.00 0.00 43.02 42.37 1pjp s PHE 51 CO -0.02 -0.12 -0.20 0.08 -0.10 0.00 0.00 175.22 174.86 1pjp s VAL 52 N 1.20 2.46 -0.14 -0.44 1.01 -0.62 -1.28 120.40 122.58 1pjp s VAL 52 Ca -0.07 -0.90 -0.08 0.00 0.00 0.00 0.00 61.98 60.93 1pjp s VAL 52 Cb -0.13 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 1pjp s VAL 52 CO -0.03 0.56 0.15 -0.22 0.00 0.00 0.00 175.10 175.56 1pjp s LEU 53 N 0.10 4.34 0.00 3.92 2.96 0.02 -0.48 118.68 129.54 1pjp s LEU 53 Ca -0.09 0.42 0.00 0.00 -0.22 0.00 0.00 54.13 54.24 1pjp s LEU 53 Cb -0.15 -2.11 0.00 0.00 0.50 0.00 0.00 46.19 44.43 1pjp s LEU 53 CO 0.06 0.33 0.00 1.07 -1.32 0.00 0.00 176.35 176.49 1pjp n THR 54 N 2.47 0.00 -3.27 3.68 5.66 0.13 -1.40 114.28 121.55 1pjp n THR 54 Ca -0.18 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.43 1pjp n THR 54 Cb 0.54 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.26 1pjp n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1pjp s ALA 55 N -1.28 3.57 0.42 1.79 0.00 -1.26 -0.42 121.76 124.59 1pjp s ALA 55 Ca 0.00 0.02 0.08 0.00 0.00 0.00 0.00 51.96 52.06 1pjp s ALA 55 Cb 0.00 -2.65 0.90 0.00 0.00 0.00 0.00 23.12 21.37 1pjp s ALA 55 CO 0.00 0.35 2.06 0.00 0.00 0.00 0.00 175.76 178.17 1pjp h ALA 56 N 4.79 1.75 0.00 0.00 0.00 -1.70 -1.08 119.26 123.01 1pjp h ALA 56 Ca -0.49 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1pjp h ALA 56 Cb 1.21 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1pjp h ALA 56 CO 0.65 0.23 0.00 -2.39 0.00 0.00 0.00 179.25 177.73 1pjp n HIS 57 N -4.48 0.00 0.62 0.00 1.44 -1.26 -1.70 115.22 109.83 1pjp n HIS 57 Ca 0.03 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.85 1pjp n HIS 57 Cb 0.08 -0.18 0.27 0.00 0.12 0.00 0.00 29.99 30.28 1pjp n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1pjp s ALA 59 N -1.56 2.13 0.00 0.00 0.00 -0.69 -4.90 121.76 116.74 1pjp s ALA 59 Ca 0.36 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.88 1pjp s ALA 59 Cb 0.20 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.95 1pjp s ALA 59 CO 0.28 -1.85 0.00 0.41 0.00 0.00 0.00 175.76 174.60 1pjp n GLY 60 N -0.35 1.84 0.16 0.00 0.00 -1.26 -4.99 105.19 100.58 1pjp n GLY 60 Ca 0.11 -0.94 -0.11 0.00 0.00 0.00 0.00 46.02 45.08 1pjp n GLY 60 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1pjp h ARG 61 N 0.00 0.45 -2.96 1.61 1.12 -0.36 -3.46 114.38 110.78 1pjp h ARG 61 Ca 0.00 -0.12 -0.08 0.00 -1.11 0.00 0.00 59.98 58.66 1pjp h ARG 61 Cb 0.00 -0.05 -0.17 0.00 -0.01 0.00 0.00 29.97 29.74 1pjp h ARG 61 CO 0.00 0.58 -0.12 -1.54 -3.11 0.00 0.00 179.97 175.77 1pjp s SER 63 N -5.89 -0.28 -0.00 -3.80 1.04 -1.19 -5.01 113.70 98.57 1pjp s SER 63 Ca -0.14 0.06 0.03 0.00 0.48 0.00 0.00 55.95 56.38 1pjp s SER 63 Cb 0.08 0.41 -0.01 0.00 0.10 0.00 0.00 66.02 66.60 1pjp s SER 63 CO 0.74 -0.61 -0.09 -0.63 0.98 0.00 0.00 173.24 173.63 1pjp s ILE 64 N -2.15 0.72 -0.06 -1.02 1.01 -1.26 -1.02 121.20 117.42 1pjp s ILE 64 Ca -0.07 -0.47 0.05 0.00 0.00 0.00 0.00 60.65 60.16 1pjp s ILE 64 Cb -0.02 -0.62 -0.01 0.00 0.01 0.00 0.00 42.46 41.82 1pjp s ILE 64 CO -0.00 0.15 -0.22 -0.89 0.00 0.00 0.00 174.94 173.97 1pjp s THR 65 N -0.33 2.29 -0.07 2.92 2.01 -0.70 -2.76 115.64 119.01 1pjp s THR 65 Ca 0.02 -0.98 0.00 0.00 0.31 0.00 0.00 61.69 61.04 1pjp s THR 65 Cb -0.04 -1.85 -0.03 0.00 0.01 0.00 0.00 72.50 70.59 1pjp s THR 65 CO -0.00 0.57 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.76 1pjp s VAL 66 N -0.24 3.91 -0.19 3.82 1.01 -0.21 -1.50 120.40 127.01 1pjp s VAL 66 Ca -0.01 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.56 1pjp s VAL 66 Cb -0.13 -2.62 0.03 0.00 0.00 0.00 0.00 36.38 33.66 1pjp s VAL 66 CO 0.03 0.58 -0.15 -0.89 0.00 0.00 0.00 175.10 174.68 1pjp s THR 67 N -0.85 1.83 0.21 3.92 2.01 -0.14 0.09 115.64 122.71 1pjp s THR 67 Ca 0.13 -0.97 0.07 0.00 0.31 0.00 0.00 61.69 61.23 1pjp s THR 67 Cb -0.11 -1.78 -0.04 0.00 0.01 0.00 0.00 72.50 70.58 1pjp s THR 67 CO 0.02 0.35 0.08 -0.76 -0.69 0.00 0.00 174.62 173.62 1pjp s LEU 68 N 1.35 3.55 0.00 4.42 1.43 0.22 -1.58 118.68 128.06 1pjp s LEU 68 Ca 0.02 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 52.78 1pjp s LEU 68 Cb -0.15 -2.13 0.00 0.00 0.03 0.00 0.00 46.19 43.94 1pjp s LEU 68 CO -0.10 0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.13 1pjp n GLY 69 N -0.58 0.58 3.88 -3.19 0.00 -1.26 -1.39 105.19 103.23 1pjp n GLY 69 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 1pjp n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pjp s ALA 70 N -2.32 3.52 0.00 4.61 0.00 -1.26 -4.25 121.76 122.05 1pjp s ALA 70 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.62 1pjp s ALA 70 Cb 0.00 -2.47 0.00 0.00 0.00 0.00 0.00 23.12 20.65 1pjp s ALA 70 CO 0.00 0.27 0.00 1.58 0.00 0.00 0.00 175.76 177.61 1pjp n HIS 71 N -0.75 0.00 -3.06 0.00 -0.00 -1.26 -4.71 115.22 105.44 1pjp n HIS 71 Ca 0.00 0.00 -0.43 0.00 0.46 0.00 0.00 57.72 57.75 1pjp n HIS 71 Cb 0.53 0.10 -0.06 0.00 -0.12 0.00 0.00 29.99 30.45 1pjp n HIS 71 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 1pjp s ASN 72 N -1.64 6.28 0.00 0.26 3.84 -1.26 -2.88 114.94 119.54 1pjp s ASN 72 Ca 0.00 -0.60 0.14 0.00 0.21 0.00 0.00 52.86 52.60 1pjp s ASN 72 Cb 0.00 -2.34 0.82 0.00 -0.55 0.00 0.00 41.25 39.18 1pjp s ASN 72 CO 0.00 -0.95 1.24 2.30 -2.79 0.00 0.00 177.10 176.90 1pjp n ILE 73 N 5.84 0.00 -0.04 -5.21 -6.64 -0.03 -2.61 119.36 110.67 1pjp n ILE 73 Ca -0.03 0.00 -0.06 0.00 -1.77 0.00 0.00 62.75 60.89 1pjp n ILE 73 Cb 0.47 -0.74 -0.14 0.00 -1.44 0.00 0.00 39.64 37.79 1pjp n ILE 73 CO 0.00 0.00 0.00 0.35 -1.77 0.00 0.00 176.55 175.13 1pjp n THR 74 N -0.97 1.38 -3.61 7.28 -2.24 -1.26 -4.82 114.28 110.04 1pjp n THR 74 Ca 0.10 -0.78 -0.40 0.00 -2.27 0.00 0.00 64.05 60.70 1pjp n THR 74 Cb 0.05 -0.74 -0.11 0.00 -2.10 0.00 0.00 70.33 67.43 1pjp n THR 74 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1pjp s GLU 75 N -2.67 2.71 0.35 -0.78 -1.05 -1.07 -5.08 118.70 111.11 1pjp s GLU 75 Ca -0.06 -1.26 -0.27 0.00 -0.15 0.00 0.00 54.97 53.23 1pjp s GLU 75 Cb 0.08 -3.73 -0.09 0.00 -0.44 0.00 0.00 34.13 29.94 1pjp s GLU 75 CO 0.83 -0.81 1.25 -2.00 0.95 0.00 0.00 175.26 175.48 1pjp s GLU 77 N 1.49 4.25 0.28 -4.83 2.12 -1.26 -4.79 118.70 115.96 1pjp s GLU 77 Ca 0.02 2.08 0.04 0.00 0.36 0.00 0.00 54.97 57.47 1pjp s GLU 77 Cb -0.21 -2.94 -0.03 0.00 0.26 0.00 0.00 34.13 31.21 1pjp s GLU 77 CO 0.04 -0.23 0.23 -1.83 -0.54 0.00 0.00 175.26 172.93 1pjp s GLU 78 N -1.95 1.56 0.56 4.30 -1.05 -1.26 -5.05 118.70 115.81 1pjp s GLU 78 Ca 0.52 -1.88 0.29 0.00 -0.15 0.00 0.00 54.97 53.74 1pjp s GLU 78 Cb -0.37 0.31 1.65 0.00 -0.44 0.00 0.00 34.13 35.28 1pjp s GLU 78 CO 0.48 -0.56 2.17 -0.44 0.95 0.00 0.00 175.26 177.86 1pjp h ASP 79 N 2.31 0.00 1.05 0.83 5.19 -1.97 -2.61 116.42 121.22 1pjp h ASP 79 Ca -0.29 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.12 1pjp h ASP 79 Cb 1.24 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.75 1pjp h ASP 79 CO 0.42 0.06 0.00 0.71 -3.12 0.00 0.00 179.24 177.31 1pjp h THR 79 N 0.00 0.00 -3.86 0.35 1.35 -1.95 -3.46 112.91 105.34 1pjp h THR 79 Ca -0.00 -0.49 -0.53 0.00 -0.55 0.00 0.00 66.41 64.84 1pjp h THR 79 Cb 0.15 1.44 0.08 0.00 -1.73 0.00 0.00 68.15 68.09 1pjp h THR 79 CO 0.01 0.00 0.71 0.26 -0.25 0.00 0.00 175.52 176.25 1pjp s TRP 80 N -3.55 2.84 -0.24 4.73 0.52 -0.99 -4.23 118.94 118.03 1pjp s TRP 80 Ca 0.02 1.27 -0.04 0.00 0.02 0.00 0.00 56.10 57.37 1pjp s TRP 80 Cb 0.09 -3.85 0.09 0.00 -1.15 0.00 0.00 33.47 28.65 1pjp s TRP 80 CO 0.52 -2.43 0.13 -0.65 0.02 0.00 0.00 176.95 174.54 1pjp s GLN 81 N -1.80 0.15 -0.37 4.98 -0.21 -0.49 -4.98 119.66 116.93 1pjp s GLN 81 Ca 0.51 -0.28 -0.16 0.00 0.02 0.00 0.00 55.36 55.46 1pjp s GLN 81 Cb -0.43 -1.40 0.00 0.00 1.00 0.00 0.00 33.01 32.19 1pjp s GLN 81 CO 0.57 -0.86 0.39 0.15 -2.12 0.00 0.00 175.29 173.42 1pjp s LYS 82 N 2.15 3.37 -0.02 2.91 1.02 -1.26 -0.61 119.74 127.29 1pjp s LYS 82 Ca 0.06 -0.56 0.04 0.00 0.02 0.00 0.00 55.97 55.53 1pjp s LYS 82 Cb -0.16 -3.87 -0.03 0.00 -0.52 0.00 0.00 37.83 33.25 1pjp s LYS 82 CO -0.24 -0.66 -0.12 -0.51 -0.92 0.00 0.00 175.35 172.90 1pjp s LEU 83 N 2.06 2.91 0.21 3.17 1.43 0.11 -4.93 118.68 123.64 1pjp s LEU 83 Ca 0.12 -0.19 -0.30 0.00 -1.03 0.00 0.00 54.13 52.72 1pjp s LEU 83 Cb -0.17 -1.65 -0.08 0.00 0.03 0.00 0.00 46.19 44.32 1pjp s LEU 83 CO 0.12 0.31 0.98 -0.70 0.23 0.00 0.00 176.35 177.30 1pjp s GLU 84 N -1.08 4.77 -0.22 1.70 2.12 -1.26 -1.04 118.70 123.69 1pjp s GLU 84 Ca 0.14 1.55 -0.11 0.00 0.36 0.00 0.00 54.97 56.91 1pjp s GLU 84 Cb -0.11 -3.28 -0.05 0.00 0.26 0.00 0.00 34.13 30.95 1pjp s GLU 84 CO 0.04 0.37 0.18 0.08 -0.54 0.00 0.00 175.26 175.39 1pjp s VAL 85 N -0.86 5.36 -0.12 3.70 1.01 -1.11 -0.58 120.40 127.80 1pjp s VAL 85 Ca 0.43 0.26 0.16 0.00 0.00 0.00 0.00 61.98 62.83 1pjp s VAL 85 Cb -0.27 -3.52 -0.23 0.00 0.00 0.00 0.00 36.38 32.36 1pjp s VAL 85 CO 0.33 0.37 0.40 2.30 0.00 0.00 0.00 175.10 178.51 1pjp n ILE 86 N 3.98 1.40 -3.83 2.22 -5.35 -0.40 -4.71 119.36 112.66 1pjp n ILE 86 Ca -0.14 -0.80 -0.12 0.00 -0.27 0.00 0.00 62.75 61.41 1pjp n ILE 86 Cb 0.52 -0.70 -0.11 0.00 -1.74 0.00 0.00 39.64 37.60 1pjp n ILE 86 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1pjp s LYS 87 N -2.62 0.30 -0.18 6.28 3.01 -1.23 -5.04 119.74 120.26 1pjp s LYS 87 Ca -0.07 0.00 -0.02 0.00 -1.01 0.00 0.00 55.97 54.88 1pjp s LYS 87 Cb 0.07 0.14 -0.00 0.00 -1.01 0.00 0.00 37.83 37.03 1pjp s LYS 87 CO 0.83 -0.06 -0.11 -0.65 0.51 0.00 0.00 175.35 175.87 1pjp s GLN 88 N -0.46 3.28 -0.78 1.68 -0.21 -1.26 -1.66 119.66 120.25 1pjp s GLN 88 Ca -0.05 -0.70 -0.04 0.00 0.02 0.00 0.00 55.36 54.59 1pjp s GLN 88 Cb -0.04 -2.79 0.20 0.00 1.00 0.00 0.00 33.01 31.38 1pjp s GLN 88 CO 0.01 -0.09 0.64 -0.06 -2.12 0.00 0.00 175.29 173.67 1pjp s PHE 89 N 1.12 3.67 0.44 0.91 0.08 0.10 -4.98 117.98 119.32 1pjp s PHE 89 Ca 0.01 -2.75 -0.21 0.00 0.12 0.00 0.00 56.93 54.10 1pjp s PHE 89 Cb -0.14 -3.32 -0.11 0.00 -0.57 0.00 0.00 43.02 38.88 1pjp s PHE 89 CO -0.03 -0.82 0.96 1.03 -0.10 0.00 0.00 175.22 176.26 1pjp s ARG 90 N -0.60 4.17 0.21 0.44 0.52 -1.26 -0.95 118.95 121.48 1pjp s ARG 90 Ca 0.22 1.14 -0.32 0.00 -0.52 0.00 0.00 55.73 56.25 1pjp s ARG 90 Cb -0.13 -2.17 -0.11 0.00 0.52 0.00 0.00 34.95 33.05 1pjp s ARG 90 CO -0.08 -0.08 1.67 -1.58 0.02 0.00 0.00 175.30 175.25 1pjp s HIS 91 N -2.17 2.93 0.64 -0.53 5.65 -0.98 -4.86 115.29 115.97 1pjp s HIS 91 Ca 0.63 0.47 0.36 0.00 0.25 0.00 0.00 55.06 56.77 1pjp s HIS 91 Cb -0.10 -4.08 2.02 0.00 -1.18 0.00 0.00 32.58 29.25 1pjp s HIS 91 CO 0.14 -3.99 2.22 -1.35 -0.65 0.00 0.00 174.74 171.10 1pjp h PRO 92 N 6.56 0.00 -0.55 2.88 0.11 -1.93 -1.69 132.00 137.38 1pjp h PRO 92 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1pjp h PRO 92 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1pjp h PRO 92 CO 0.93 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.35 1pjp n LYS 93 N -3.34 2.63 -1.68 1.05 4.01 -1.26 -4.99 118.16 114.58 1pjp n LYS 93 Ca -0.02 -2.40 -0.47 0.00 -0.51 0.00 0.00 58.31 54.91 1pjp n LYS 93 Cb 0.18 -1.48 -0.04 0.00 -0.51 0.00 0.00 35.03 33.18 1pjp n LYS 93 CO 0.00 0.00 0.00 0.98 -1.11 0.00 0.00 177.40 177.27 1pjp n TYR 94 N 1.35 2.37 -3.97 2.13 9.36 -0.64 -4.74 117.16 123.02 1pjp n TYR 94 Ca 0.20 -0.03 -0.35 0.00 3.32 0.00 0.00 57.90 61.04 1pjp n TYR 94 Cb 0.57 -2.67 -0.13 0.00 -0.63 0.00 0.00 39.34 36.47 1pjp n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1pjp s ASN 95 N 3.57 4.55 0.25 2.98 3.84 -0.82 -5.00 114.94 124.31 1pjp s ASN 95 Ca 0.89 -0.31 -0.03 0.00 0.21 0.00 0.00 52.86 53.62 1pjp s ASN 95 Cb -0.64 -1.78 0.29 0.00 -0.55 0.00 0.00 41.25 38.57 1pjp s ASN 95 CO 0.47 0.01 1.76 0.71 -2.79 0.00 0.00 177.10 177.26 1pjp h THR 96 N 5.58 1.24 -0.12 -5.21 1.35 -1.92 0.32 112.91 114.16 1pjp h THR 96 Ca -0.39 -0.98 -0.14 0.00 -0.55 0.00 0.00 66.41 64.36 1pjp h THR 96 Cb 1.17 0.78 0.01 0.00 -1.73 0.00 0.00 68.15 68.38 1pjp h THR 96 CO 0.60 0.35 -0.45 0.77 -0.25 0.00 0.00 175.52 176.54 1pjp h SER 97 N 0.82 0.60 0.90 5.36 4.64 -1.98 -3.32 113.55 120.57 1pjp h SER 97 Ca 0.16 -0.62 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1pjp h SER 97 Cb 0.42 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1pjp h SER 97 CO 0.01 1.12 -0.93 0.35 -0.87 0.00 0.00 176.83 176.52 1pjp n THR 98 N -4.26 0.51 -1.39 2.95 -2.24 -1.22 -4.95 114.28 103.67 1pjp n THR 98 Ca -0.08 -0.45 -0.13 0.00 -2.27 0.00 0.00 64.05 61.12 1pjp n THR 98 Cb 0.57 -0.23 -0.06 0.00 -2.10 0.00 0.00 70.33 68.51 1pjp n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1pjp n LEU 99 N -2.47 -0.94 -4.78 3.22 4.77 0.11 -4.87 117.00 112.04 1pjp n LEU 99 Ca 0.01 0.33 -0.36 0.00 -0.03 0.00 0.00 56.01 55.96 1pjp n LEU 99 Cb 0.51 -2.08 -0.03 0.00 -2.33 0.00 0.00 43.42 39.49 1pjp n LEU 99 CO 0.39 -0.73 0.75 -1.00 -1.33 0.00 0.00 177.39 175.47 1pjp s HIS 100 N -2.46 3.16 -1.22 -1.77 3.76 -1.22 -3.74 115.29 111.80 1pjp s HIS 100 Ca 0.00 1.61 -0.02 0.00 -0.15 0.00 0.00 55.06 56.51 1pjp s HIS 100 Cb 0.00 -3.16 0.00 0.00 1.11 0.00 0.00 32.58 30.53 1pjp s HIS 100 CO 0.00 -0.81 1.03 0.72 -0.85 0.00 0.00 174.74 174.82 1pjp n HIS 101 N -0.28 -2.31 -1.90 1.40 8.25 -1.26 -1.94 115.22 117.18 1pjp n HIS 101 Ca 0.06 0.95 -0.42 0.00 -0.26 0.00 0.00 57.72 58.05 1pjp n HIS 101 Cb 0.50 -5.05 -0.00 0.00 1.12 0.00 0.00 29.99 26.56 1pjp n HIS 101 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1pjp n ASP 102 N -3.08 4.99 -3.85 0.41 2.03 -1.24 -4.27 116.55 111.52 1pjp n ASP 102 Ca -0.23 -2.92 -0.12 0.00 0.52 0.00 0.00 54.79 52.05 1pjp n ASP 102 Cb 0.65 -1.57 -0.13 0.00 -0.72 0.00 0.00 41.12 39.34 1pjp n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1pjp s ILE 103 N 1.93 0.01 -0.07 5.18 2.07 -1.26 -3.63 121.20 125.43 1pjp s ILE 103 Ca 0.47 -0.10 -0.12 0.00 -1.41 0.00 0.00 60.65 59.49 1pjp s ILE 103 Cb 0.13 -0.15 0.03 0.00 0.13 0.00 0.00 42.46 42.60 1pjp s ILE 103 CO -0.06 -0.05 0.31 -0.32 -1.91 0.00 0.00 174.94 172.91 1pjp s MET 104 N -0.13 0.50 -0.08 3.50 -2.45 0.44 -2.33 119.30 118.76 1pjp s MET 104 Ca -0.02 0.14 0.01 0.00 -1.25 0.00 0.00 55.69 54.57 1pjp s MET 104 Cb -0.02 0.23 -0.03 0.00 1.25 0.00 0.00 34.83 36.27 1pjp s MET 104 CO 0.00 -0.10 -0.07 -0.51 1.05 0.00 0.00 175.02 175.38 1pjp s LEU 105 N -0.53 3.12 -0.16 4.11 1.43 -0.12 -0.69 118.68 125.84 1pjp s LEU 105 Ca -0.06 -0.05 0.01 0.00 -1.03 0.00 0.00 54.13 52.99 1pjp s LEU 105 Cb -0.04 -1.68 0.01 0.00 0.03 0.00 0.00 46.19 44.51 1pjp s LEU 105 CO 0.02 0.34 -0.18 -0.76 0.23 0.00 0.00 176.35 176.00 1pjp s LEU 106 N -0.67 2.32 -0.23 1.79 1.43 0.36 0.01 118.68 123.70 1pjp s LEU 106 Ca 0.10 -0.54 -0.17 0.00 -1.03 0.00 0.00 54.13 52.48 1pjp s LEU 106 Cb -0.11 -1.52 -0.03 0.00 0.03 0.00 0.00 46.19 44.55 1pjp s LEU 106 CO 0.02 0.06 0.48 -0.75 0.23 0.00 0.00 176.35 176.38 1pjp s LYS 107 N 0.95 4.12 0.34 1.70 2.20 -0.66 -1.59 119.74 126.80 1pjp s LYS 107 Ca -0.03 0.29 -0.19 0.00 -0.36 0.00 0.00 55.97 55.69 1pjp s LYS 107 Cb -0.15 -3.60 -0.10 0.00 -1.51 0.00 0.00 37.83 32.47 1pjp s LYS 107 CO -0.03 -0.22 0.82 -0.51 -0.36 0.00 0.00 175.35 175.05 1pjp s LEU 108 N 1.89 4.10 0.23 5.43 1.43 -0.07 -1.27 118.68 130.40 1pjp s LEU 108 Ca 0.21 1.49 -0.07 0.00 -1.03 0.00 0.00 54.13 54.73 1pjp s LEU 108 Cb -0.15 -4.14 0.35 0.00 0.03 0.00 0.00 46.19 42.27 1pjp s LEU 108 CO 0.09 -0.20 1.75 0.50 0.23 0.00 0.00 176.35 178.72 1pjp h LYS 109 N 2.42 0.48 -4.63 1.70 1.63 -1.18 -3.44 116.57 113.55 1pjp h LYS 109 Ca -0.48 -0.03 -0.24 0.00 -0.85 0.00 0.00 60.65 59.05 1pjp h LYS 109 Cb 1.18 -0.11 -0.15 0.00 -0.60 0.00 0.00 32.23 32.55 1pjp h LYS 109 CO 0.64 0.32 -0.65 -1.83 -3.45 0.00 0.00 179.45 174.47 1pjp s GLU 110 N -6.06 1.03 0.07 1.90 -1.05 -1.26 -5.06 118.70 108.28 1pjp s GLU 110 Ca -0.13 -1.50 -0.30 0.00 -0.15 0.00 0.00 54.97 52.90 1pjp s GLU 110 Cb 0.18 -0.03 -0.05 0.00 -0.44 0.00 0.00 34.13 33.80 1pjp s GLU 110 CO 0.76 -0.20 1.00 0.15 0.95 0.00 0.00 175.26 177.92 1pjp s LYS 111 N -3.98 4.61 0.73 -4.83 1.02 -1.26 -4.64 119.74 111.38 1pjp s LYS 111 Ca 0.24 1.49 -0.14 0.00 0.02 0.00 0.00 55.97 57.59 1pjp s LYS 111 Cb 0.07 -3.40 0.04 0.00 -0.52 0.00 0.00 37.83 34.02 1pjp s LYS 111 CO 0.03 0.06 1.14 0.00 -0.92 0.00 0.00 175.35 175.67 1pjp s ALA 112 N 0.46 2.22 0.18 5.17 0.00 0.50 -4.96 121.76 125.33 1pjp s ALA 112 Ca 0.50 0.63 -0.20 0.00 0.00 0.00 0.00 51.96 52.89 1pjp s ALA 112 Cb -0.23 -3.38 -0.08 0.00 0.00 0.00 0.00 23.12 19.43 1pjp s ALA 112 CO 0.30 -1.70 0.69 -1.12 0.00 0.00 0.00 175.76 173.92 1pjp s SER 113 N -2.52 7.10 -0.24 0.00 0.01 -1.26 -4.93 113.70 111.86 1pjp s SER 113 Ca 0.69 1.40 -0.20 0.00 1.31 0.00 0.00 55.95 59.14 1pjp s SER 113 Cb -0.23 -2.41 -0.02 0.00 0.21 0.00 0.00 66.02 63.57 1pjp s SER 113 CO 0.46 0.12 0.63 -0.76 0.41 0.00 0.00 173.24 174.10 1pjp s LEU 114 N -1.67 4.08 0.00 2.44 1.43 -1.26 -4.74 118.68 118.96 1pjp s LEU 114 Ca 0.39 0.74 0.03 0.00 -1.03 0.00 0.00 54.13 54.25 1pjp s LEU 114 Cb -0.18 -2.87 -0.01 0.00 0.03 0.00 0.00 46.19 43.16 1pjp s LEU 114 CO 0.21 -0.36 0.10 0.35 0.23 0.00 0.00 176.35 176.89 1pjp n THR 115 N 5.10 0.00 0.38 5.49 -2.24 -0.54 -4.97 114.28 117.50 1pjp n THR 115 Ca -0.01 -1.03 0.14 0.00 -2.27 0.00 0.00 64.05 60.88 1pjp n THR 115 Cb 0.49 0.47 0.49 0.00 -2.10 0.00 0.00 70.33 69.68 1pjp n THR 115 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1pjp h LEU 116 N 0.00 0.00 0.00 3.22 3.38 -1.99 -3.13 115.31 116.79 1pjp h LEU 116 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1pjp h LEU 116 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1pjp h LEU 116 CO 0.17 0.00 -1.70 0.00 0.09 0.00 0.00 178.44 177.00 1pjp n ALA 117 N -1.92 3.02 -3.49 1.53 0.00 -1.26 -4.83 120.51 113.56 1pjp n ALA 117 Ca 0.03 -0.47 -0.26 0.00 0.00 0.00 0.00 53.44 52.74 1pjp n ALA 117 Cb 0.33 -0.66 -0.17 0.00 0.00 0.00 0.00 19.45 18.95 1pjp n ALA 117 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1pjp s VAL 118 N -3.23 1.22 0.11 0.00 1.01 -1.18 -4.05 120.40 114.28 1pjp s VAL 118 Ca -0.04 -0.52 -0.25 0.00 0.00 0.00 0.00 61.98 61.17 1pjp s VAL 118 Cb 0.13 -1.11 0.07 0.00 0.00 0.00 0.00 36.38 35.47 1pjp s VAL 118 CO 0.79 0.38 0.76 -0.83 0.00 0.00 0.00 175.10 176.20 1pjp s GLY 119 N 0.73 -0.45 0.31 4.51 0.00 -0.99 -1.47 107.32 109.95 1pjp s GLY 119 Ca -0.13 0.54 -0.06 0.00 0.00 0.00 0.00 44.72 45.07 1pjp s GLY 119 CO 0.03 0.17 0.58 -0.51 0.00 0.00 0.00 173.10 173.38 1pjp s THR 120 N -3.49 4.99 -0.29 0.90 -4.23 -1.26 -3.12 115.64 109.14 1pjp s THR 120 Ca 0.05 0.13 -0.04 0.00 -1.18 0.00 0.00 61.69 60.65 1pjp s THR 120 Cb -0.02 -3.73 0.03 0.00 1.34 0.00 0.00 72.50 70.12 1pjp s THR 120 CO -0.07 -0.35 0.03 -0.22 -0.54 0.00 0.00 174.62 173.47 1pjp s LEU 121 N -3.59 3.78 0.10 4.79 2.96 0.12 -4.89 118.68 121.96 1pjp s LEU 121 Ca 0.45 -0.97 -0.31 0.00 -0.22 0.00 0.00 54.13 53.08 1pjp s LEU 121 Cb -0.11 -1.78 -0.10 0.00 0.50 0.00 0.00 46.19 44.71 1pjp s LEU 121 CO 0.30 -0.22 1.75 -2.16 -1.32 0.00 0.00 176.35 174.70 1pjp s PRO 122 N 1.38 4.16 -1.15 0.98 0.04 -1.26 -4.36 135.00 134.78 1pjp s PRO 122 Ca -0.01 2.49 -0.21 0.00 0.04 0.00 0.00 61.00 63.31 1pjp s PRO 122 Cb -0.18 -3.57 0.05 0.00 0.04 0.00 0.00 34.50 30.84 1pjp s PRO 122 CO -0.00 -0.79 1.61 -0.59 0.04 0.00 0.00 177.00 177.27 1pjp s PHE 123 N 2.63 2.61 0.00 0.56 -0.71 -1.26 -4.74 117.98 117.07 1pjp s PHE 123 Ca 0.78 -1.14 0.00 0.00 -1.04 0.00 0.00 56.93 55.53 1pjp s PHE 123 Cb -0.44 -4.69 0.00 0.00 -1.21 0.00 0.00 43.02 36.68 1pjp s PHE 123 CO 0.35 -1.85 0.00 -0.35 -1.34 0.00 0.00 175.22 172.02 1pjp n PRO 124 N 8.64 0.00 -3.15 1.99 -0.04 -1.26 -5.08 135.00 136.10 1pjp n PRO 124 Ca 0.41 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.93 1pjp n PRO 124 Cb 0.48 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.94 1pjp n PRO 124 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1pjp s SER 125 N 0.00 -0.29 -0.22 3.54 1.04 -1.26 -5.16 113.70 111.35 1pjp s SER 125 Ca 0.00 0.04 -0.08 0.00 0.48 0.00 0.00 55.95 56.40 1pjp s SER 125 Cb 0.00 1.19 -0.04 0.00 0.10 0.00 0.00 66.02 67.27 1pjp s SER 125 CO 0.00 -0.05 0.08 0.00 0.98 0.00 0.00 173.24 174.24 1pjp s GLN 126 N 2.97 3.81 0.13 4.02 -2.07 -1.26 -5.00 119.66 122.27 1pjp s GLN 126 Ca 0.28 -0.41 -0.12 0.00 -1.82 0.00 0.00 55.36 53.29 1pjp s GLN 126 Cb -0.01 -3.30 -0.06 0.00 -1.09 0.00 0.00 33.01 28.55 1pjp s GLN 126 CO -0.22 0.01 1.45 0.87 -1.32 0.00 0.00 175.29 176.08 1pjp h LYS 127 N 7.59 0.90 -4.07 9.60 1.57 -2.06 -3.45 116.57 126.64 1pjp h LYS 127 Ca -0.37 -0.49 -0.15 0.00 -1.87 0.00 0.00 60.65 57.77 1pjp h LYS 127 Cb 1.18 0.03 -0.19 0.00 0.08 0.00 0.00 32.23 33.32 1pjp h LYS 127 CO 0.62 1.14 -0.69 -0.80 -0.57 0.00 0.00 179.45 179.16 1pjp s ASN 128 N -6.81 0.33 0.40 0.86 0.01 -1.26 -5.14 114.94 103.32 1pjp s ASN 128 Ca -0.11 -0.69 -0.26 0.00 -0.71 0.00 0.00 52.86 51.10 1pjp s ASN 128 Cb 0.11 0.14 -0.09 0.00 0.41 0.00 0.00 41.25 41.82 1pjp s ASN 128 CO 0.88 -0.42 1.21 -0.36 -1.51 0.00 0.00 177.10 176.90 1pjp s PHE 129 N -2.42 3.00 -0.02 2.20 0.08 -1.26 -4.95 117.98 114.61 1pjp s PHE 129 Ca -0.07 1.51 -0.30 0.00 0.12 0.00 0.00 56.93 58.19 1pjp s PHE 129 Cb -0.03 -3.49 -0.06 0.00 -0.57 0.00 0.00 43.02 38.87 1pjp s PHE 129 CO -0.04 -1.56 1.69 0.54 -0.10 0.00 0.00 175.22 175.74 1pjp s VAL 130 N -1.35 3.42 0.30 -0.44 0.11 -1.26 -4.99 120.40 116.19 1pjp s VAL 130 Ca 0.56 0.59 -0.28 0.00 -2.93 0.00 0.00 61.98 59.93 1pjp s VAL 130 Cb -0.33 -3.38 -0.09 0.00 -1.53 0.00 0.00 36.38 31.04 1pjp s VAL 130 CO 0.42 -0.04 1.00 -2.16 -3.33 0.00 0.00 175.10 170.99 1pjp s PRO 131 N 3.78 4.60 0.67 1.54 0.04 -1.26 -5.02 135.00 139.35 1pjp s PRO 131 Ca 0.75 1.53 -0.17 0.00 0.04 0.00 0.00 61.00 63.15 1pjp s PRO 131 Cb -0.36 -2.99 -0.01 0.00 0.04 0.00 0.00 34.50 31.19 1pjp s PRO 131 CO 0.31 0.25 1.09 -2.30 0.04 0.00 0.00 177.00 176.40 1pjp n PRO 132 N 0.87 0.80 0.00 0.56 -0.02 -1.26 -2.19 135.00 133.75 1pjp n PRO 132 Ca 0.01 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1pjp n PRO 132 Cb 0.48 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 1pjp n PRO 132 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pjp n GLY 133 N 1.06 2.55 3.76 -1.23 0.00 0.76 -4.98 105.19 107.11 1pjp n GLY 133 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1pjp n GLY 133 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1pjp s ARG 134 N -0.19 4.44 -0.16 1.61 6.06 -0.93 -4.72 118.95 125.05 1pjp s ARG 134 Ca 0.00 2.09 -0.15 0.00 -2.50 0.00 0.00 55.73 55.17 1pjp s ARG 134 Cb 0.00 -3.12 -0.04 0.00 0.06 0.00 0.00 34.95 31.85 1pjp s ARG 134 CO 0.00 -0.08 0.35 -1.64 -2.50 0.00 0.00 175.30 171.43 1pjp s MET 135 N -1.53 4.26 0.46 5.12 -1.94 -1.26 -0.74 119.30 123.66 1pjp s MET 135 Ca 0.48 0.19 0.02 0.00 -1.71 0.00 0.00 55.69 54.67 1pjp s MET 135 Cb -0.37 -3.45 -0.01 0.00 2.01 0.00 0.00 34.83 33.01 1pjp s MET 135 CO 0.48 0.16 0.06 0.00 -0.01 0.00 0.00 175.02 175.71 1pjp s ARG 137 N -3.69 0.38 0.03 0.00 1.70 -0.68 -0.28 118.95 116.40 1pjp s ARG 137 Ca 0.08 -0.65 0.01 0.00 -0.47 0.00 0.00 55.73 54.71 1pjp s ARG 137 Cb 0.00 0.14 -0.02 0.00 -0.57 0.00 0.00 34.95 34.51 1pjp s ARG 137 CO 0.06 -0.07 -0.05 0.54 -1.08 0.00 0.00 175.30 174.70 1pjp s VAL 138 N -1.76 0.32 0.12 4.99 0.11 -0.54 -1.21 120.40 122.43 1pjp s VAL 138 Ca -0.13 -0.85 0.06 0.00 -2.93 0.00 0.00 61.98 58.13 1pjp s VAL 138 Cb -0.07 -0.40 -0.04 0.00 -1.53 0.00 0.00 36.38 34.34 1pjp s VAL 138 CO -0.02 -0.35 -0.15 0.00 -3.33 0.00 0.00 175.10 171.25 1pjp s ALA 139 N -1.19 1.53 -0.03 1.54 0.00 -1.26 -1.23 121.76 121.13 1pjp s ALA 139 Ca -0.10 -1.28 -0.30 0.00 0.00 0.00 0.00 51.96 50.27 1pjp s ALA 139 Cb -0.09 -0.10 0.12 0.00 0.00 0.00 0.00 23.12 23.05 1pjp s ALA 139 CO -0.00 0.14 1.31 0.20 0.00 0.00 0.00 175.76 177.40 1pjp s GLY 140 N -2.37 -0.34 -0.20 0.00 0.00 0.17 -4.73 107.32 99.86 1pjp s GLY 140 Ca 0.08 0.53 0.15 0.00 0.00 0.00 0.00 44.72 45.48 1pjp s GLY 140 CO 0.03 1.78 1.40 0.79 0.00 0.00 0.00 173.10 177.10 1pjp n TRP 141 N -0.62 0.88 -1.53 1.90 8.01 -1.26 -1.17 117.44 123.65 1pjp n TRP 141 Ca -0.05 -1.04 -0.30 0.00 -1.31 0.00 0.00 57.50 54.80 1pjp n TRP 141 Cb 0.62 -0.34 0.23 0.00 -2.01 0.00 0.00 31.31 29.81 1pjp n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1pjp n GLY 142 N -0.75 -2.08 3.76 6.99 0.00 -1.26 -2.26 105.19 109.59 1pjp n GLY 142 Ca 0.23 -1.61 -0.40 0.00 0.00 0.00 0.00 46.02 44.24 1pjp n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pjp n ARG 143 N -4.30 2.19 -0.28 1.61 1.74 0.02 -2.32 116.66 115.32 1pjp n ARG 143 Ca 0.16 0.78 0.12 0.00 -0.77 0.00 0.00 57.85 58.14 1pjp n ARG 143 Cb 0.59 -2.62 0.26 0.00 -1.02 0.00 0.00 32.46 29.67 1pjp n ARG 143 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1pjp n THR 144 N -0.29 0.74 -3.61 0.55 -2.24 -1.23 -1.13 114.28 107.07 1pjp n THR 144 Ca 0.06 -0.87 -0.05 0.00 -2.27 0.00 0.00 64.05 60.92 1pjp n THR 144 Cb 0.42 0.76 -0.02 0.00 -2.10 0.00 0.00 70.33 69.39 1pjp n THR 144 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1pjp s GLY 145 N -1.25 -0.36 0.15 3.38 0.00 -1.26 -4.52 107.32 103.46 1pjp s GLY 145 Ca 0.43 0.84 -0.17 0.00 0.00 0.00 0.00 44.72 45.83 1pjp s GLY 145 CO 0.32 0.25 1.76 -2.08 0.00 0.00 0.00 173.10 173.35 1pjp h VAL 146 N 2.00 0.92 -0.63 1.40 2.07 -1.92 -2.64 116.25 117.45 1pjp h VAL 146 Ca -0.21 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1pjp h VAL 146 Cb 1.22 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1pjp h VAL 146 CO 0.27 0.05 0.00 0.18 0.02 0.00 0.00 177.57 178.10 1pjp n LEU 147 N -5.00 3.69 -4.89 2.57 4.77 -1.26 -4.97 117.00 111.92 1pjp n LEU 147 Ca 0.01 -1.99 -0.30 0.00 -0.03 0.00 0.00 56.01 53.69 1pjp n LEU 147 Cb 0.11 -0.42 -0.04 0.00 -2.33 0.00 0.00 43.42 40.74 1pjp n LEU 147 CO 0.28 0.92 0.26 -0.54 -1.33 0.00 0.00 177.39 176.98 1pjp s LYS 148 N -1.01 3.73 0.93 3.23 -0.14 -1.00 -5.09 119.74 120.39 1pjp s LYS 148 Ca 0.42 0.21 -0.14 0.00 -1.36 0.00 0.00 55.97 55.10 1pjp s LYS 148 Cb 0.22 -2.59 0.19 0.00 -1.68 0.00 0.00 37.83 33.97 1pjp s LYS 148 CO 0.29 0.20 1.28 -1.25 -0.76 0.00 0.00 175.35 175.11 1pjp s PRO 150 N -3.32 0.81 0.52 -1.68 0.04 -1.26 -4.54 135.00 125.57 1pjp s PRO 150 Ca 0.47 -0.49 -0.21 0.00 0.04 0.00 0.00 61.00 60.81 1pjp s PRO 150 Cb -0.11 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.46 1pjp s PRO 150 CO 0.27 -2.27 1.22 0.20 0.04 0.00 0.00 177.00 176.45 1pjp s GLY 151 N -4.86 2.78 0.40 0.56 0.00 -1.26 -3.51 107.32 101.42 1pjp s GLY 151 Ca 0.73 1.03 -0.25 0.00 0.00 0.00 0.00 44.72 46.23 1pjp s GLY 151 CO 0.52 1.47 1.12 -0.45 0.00 0.00 0.00 173.10 175.76 1pjp s SER 152 N -1.37 6.58 0.13 1.64 0.15 -0.96 -4.88 113.70 114.99 1pjp s SER 152 Ca 0.70 2.22 -0.06 0.00 0.70 0.00 0.00 55.95 59.52 1pjp s SER 152 Cb -0.31 -2.60 -0.08 0.00 -1.71 0.00 0.00 66.02 61.31 1pjp s SER 152 CO 0.36 -0.63 1.32 0.44 1.20 0.00 0.00 173.24 175.94 1pjp h ASP 153 N 2.54 0.61 -2.14 5.45 3.32 -1.93 -3.45 116.42 120.82 1pjp h ASP 153 Ca -0.49 -0.46 -0.51 0.00 0.02 0.00 0.00 57.03 55.60 1pjp h ASP 153 Cb 1.23 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 40.54 1pjp h ASP 153 CO 0.62 1.24 -0.53 0.42 -1.72 0.00 0.00 179.24 179.27 1pjp s THR 154 N -3.40 4.15 -0.04 0.35 -4.23 -1.26 -0.85 115.64 110.36 1pjp s THR 154 Ca -0.07 -1.48 -0.30 0.00 -1.18 0.00 0.00 61.69 58.66 1pjp s THR 154 Cb 0.09 -3.29 -0.05 0.00 1.34 0.00 0.00 72.50 70.60 1pjp s THR 154 CO 0.87 -0.33 1.42 -0.22 -0.54 0.00 0.00 174.62 175.82 1pjp s LEU 155 N -3.84 4.29 0.11 4.79 2.96 -1.14 -4.64 118.68 121.22 1pjp s LEU 155 Ca 0.34 2.05 0.05 0.00 -0.22 0.00 0.00 54.13 56.34 1pjp s LEU 155 Cb -0.07 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.03 1pjp s LEU 155 CO 0.24 -0.76 0.05 -1.10 -1.32 0.00 0.00 176.35 173.46 1pjp s GLN 156 N 2.90 2.70 -0.01 1.98 -1.52 -0.32 -1.02 119.66 124.38 1pjp s GLN 156 Ca 0.64 -0.82 0.01 0.00 -1.95 0.00 0.00 55.36 53.24 1pjp s GLN 156 Cb -0.30 -2.60 0.00 0.00 -0.22 0.00 0.00 33.01 29.89 1pjp s GLN 156 CO 0.25 0.53 -0.03 -2.00 -0.25 0.00 0.00 175.29 173.79 1pjp s GLU 157 N -2.54 0.29 0.04 2.91 2.12 0.61 -0.65 118.70 121.48 1pjp s GLU 157 Ca 0.28 -0.11 0.01 0.00 0.36 0.00 0.00 54.97 55.51 1pjp s GLU 157 Cb -0.11 -0.30 -0.03 0.00 0.26 0.00 0.00 34.13 33.95 1pjp s GLU 157 CO 0.20 0.06 -0.05 0.54 -0.54 0.00 0.00 175.26 175.47 1pjp s VAL 158 N 0.03 0.31 -0.25 3.70 0.11 -0.36 -1.13 120.40 122.81 1pjp s VAL 158 Ca 0.00 -1.19 -0.10 0.00 -2.93 0.00 0.00 61.98 57.77 1pjp s VAL 158 Cb -0.03 -0.68 -0.05 0.00 -1.53 0.00 0.00 36.38 34.10 1pjp s VAL 158 CO -0.00 -0.57 0.14 -0.75 -3.33 0.00 0.00 175.10 170.59 1pjp s LYS 159 N -2.08 3.96 0.19 1.54 2.20 -1.26 -1.47 119.74 122.82 1pjp s LYS 159 Ca -0.08 -0.32 0.11 0.00 -0.36 0.00 0.00 55.97 55.31 1pjp s LYS 159 Cb -0.06 -3.51 -0.04 0.00 -1.51 0.00 0.00 37.83 32.71 1pjp s LYS 159 CO -0.02 -0.02 -0.23 -0.51 -0.36 0.00 0.00 175.35 174.21 1pjp s LEU 160 N 1.26 2.44 -0.15 5.43 1.43 0.61 -4.93 118.68 124.77 1pjp s LEU 160 Ca 0.07 -0.87 -0.13 0.00 -1.03 0.00 0.00 54.13 52.16 1pjp s LEU 160 Cb -0.14 -1.09 -0.05 0.00 0.03 0.00 0.00 46.19 44.94 1pjp s LEU 160 CO 0.06 0.08 0.27 -0.60 0.23 0.00 0.00 176.35 176.39 1pjp s ARG 161 N -2.74 4.17 0.00 1.70 3.52 -1.26 -0.27 118.95 124.06 1pjp s ARG 161 Ca 0.20 0.06 -0.30 0.00 -0.13 0.00 0.00 55.73 55.56 1pjp s ARG 161 Cb -0.07 -3.40 -0.05 0.00 -1.56 0.00 0.00 34.95 29.87 1pjp s ARG 161 CO 0.09 0.31 1.34 -1.17 -0.81 0.00 0.00 175.30 175.07 1pjp s LEU 162 N 0.25 4.32 0.30 -0.88 2.96 0.08 -0.82 118.68 124.89 1pjp s LEU 162 Ca 0.16 2.06 0.07 0.00 -0.22 0.00 0.00 54.13 56.19 1pjp s LEU 162 Cb -0.13 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 42.97 1pjp s LEU 162 CO 0.04 -0.67 0.32 -0.04 -1.32 0.00 0.00 176.35 174.68 1pjp s MET 163 N 2.16 2.98 0.42 1.98 -1.94 0.11 -0.17 119.30 124.84 1pjp s MET 163 Ca 0.62 -1.09 -0.23 0.00 -1.71 0.00 0.00 55.69 53.28 1pjp s MET 163 Cb -0.30 -2.64 -0.09 0.00 2.01 0.00 0.00 34.83 33.81 1pjp s MET 163 CO 0.26 0.21 1.08 -0.51 -0.01 0.00 0.00 175.02 176.05 1pjp s ASP 164 N -4.00 6.58 0.59 3.03 1.11 -1.26 -4.44 116.67 118.27 1pjp s ASP 164 Ca 0.39 2.10 0.28 0.00 0.18 0.00 0.00 52.55 55.50 1pjp s ASP 164 Cb -0.08 -2.59 1.57 0.00 1.07 0.00 0.00 42.92 42.90 1pjp s ASP 164 CO 0.28 -0.62 2.02 1.55 1.18 0.00 0.00 175.17 179.57 1pjp h PRO 165 N 2.31 0.00 -0.16 8.23 0.13 -1.98 -0.65 132.00 139.89 1pjp h PRO 165 Ca -0.49 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.65 1pjp h PRO 165 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1pjp h PRO 165 CO 0.61 0.00 0.10 1.96 -0.23 0.00 0.00 178.00 180.45 1pjp h GLN 166 N 0.00 0.18 0.00 0.86 7.50 -2.01 -1.47 115.11 120.16 1pjp h GLN 166 Ca 0.14 -0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.28 1pjp h GLN 166 Cb 0.77 -0.04 0.00 0.00 0.05 0.00 0.00 27.48 28.26 1pjp h GLN 166 CO -0.00 0.12 0.00 0.00 -1.50 0.00 0.00 178.83 177.44 1pjp h ALA 167 N 1.91 1.00 -0.25 3.87 0.00 -1.48 -2.07 119.26 122.23 1pjp h ALA 167 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1pjp h ALA 167 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1pjp h ALA 167 CO -0.01 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.24 1pjp h SER 169 N 1.49 0.30 0.16 0.00 0.87 -1.32 -0.35 113.55 114.70 1pjp h SER 169 Ca 0.00 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1pjp h SER 169 Cb 0.74 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 1pjp h SER 169 CO 0.02 0.13 0.00 1.12 -0.53 0.00 0.00 176.83 177.57 1pjp h HIS 172 N 0.31 0.00 -2.60 2.24 2.07 -1.83 -3.30 115.15 112.03 1pjp h HIS 172 Ca 0.41 0.00 -0.69 0.00 -2.85 0.00 0.00 60.37 57.24 1pjp h HIS 172 Cb 1.13 0.00 -0.18 0.00 2.57 0.00 0.00 27.41 30.93 1pjp h HIS 172 CO -0.00 0.00 0.65 -0.06 -3.07 0.00 0.00 177.93 175.45 1pjp s PHE 173 N -3.76 3.07 0.60 6.12 0.08 -0.14 -4.90 117.98 119.05 1pjp s PHE 173 Ca -0.02 -1.23 0.28 0.00 0.12 0.00 0.00 56.93 56.07 1pjp s PHE 173 Cb 0.09 -4.22 1.20 0.00 -0.57 0.00 0.00 43.02 39.52 1pjp s PHE 173 CO 0.32 -1.46 1.60 0.00 -0.10 0.00 0.00 175.22 175.58 1pjp h ARG 174 N 8.93 0.00 -0.39 0.44 2.47 -1.83 0.15 114.38 124.15 1pjp h ARG 174 Ca 0.02 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 1pjp h ARG 174 Cb 1.04 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.36 1pjp h ARG 174 CO 1.10 0.00 0.00 -0.25 0.56 0.00 0.00 179.97 181.38 1pjp n ASP 175 N -3.44 3.14 -4.74 7.04 8.00 -1.26 -4.97 116.55 120.32 1pjp n ASP 175 Ca 0.16 -1.92 -0.42 0.00 0.71 0.00 0.00 54.79 53.32 1pjp n ASP 175 Cb 1.10 -0.26 -0.02 0.00 -0.02 0.00 0.00 41.12 41.91 1pjp n ASP 175 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1pjp s PHE 176 N -1.11 3.01 -0.15 1.24 5.36 0.51 -4.95 117.98 121.89 1pjp s PHE 176 Ca 0.31 0.92 -0.00 0.00 -0.96 0.00 0.00 56.93 57.20 1pjp s PHE 176 Cb 0.17 -3.86 0.04 0.00 -0.34 0.00 0.00 43.02 39.03 1pjp s PHE 176 CO 0.23 -2.88 -0.07 0.34 -1.46 0.00 0.00 175.22 171.38 1pjp s ASP 177 N 0.55 2.71 0.43 6.13 -1.08 -1.26 -5.03 116.67 119.12 1pjp s ASP 177 Ca 0.62 -0.58 0.15 0.00 -0.52 0.00 0.00 52.55 52.22 1pjp s ASP 177 Cb -0.43 -0.96 1.05 0.00 -1.46 0.00 0.00 42.92 41.13 1pjp s ASP 177 CO 0.41 -0.15 1.94 -0.74 0.52 0.00 0.00 175.17 177.14 1pjp h HIS 177 N 8.11 0.46 -0.00 -5.34 -0.00 -1.95 0.12 115.15 116.56 1pjp h HIS 177 Ca -0.27 0.01 -0.14 0.00 -0.00 0.00 0.00 60.37 59.97 1pjp h HIS 177 Cb 1.12 -0.15 -0.02 0.00 -0.00 0.00 0.00 27.41 28.36 1pjp h HIS 177 CO 0.46 0.19 -0.66 -0.91 -0.00 0.00 0.00 177.93 177.01 1pjp h ASN 178 N 0.41 0.01 0.09 3.26 2.35 -2.02 -3.32 115.58 116.35 1pjp h ASN 178 Ca 0.34 -0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 56.05 1pjp h ASN 178 Cb 0.78 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.14 1pjp h ASN 178 CO -0.10 0.66 -1.95 0.18 -1.65 0.00 0.00 177.43 174.56 1pjp n LEU 179 N -3.76 0.08 -4.25 1.61 4.77 -0.62 -4.85 117.00 109.99 1pjp n LEU 179 Ca -0.01 0.03 -0.14 0.00 -0.03 0.00 0.00 56.01 55.86 1pjp n LEU 179 Cb 0.65 0.05 -0.10 0.00 -2.33 0.00 0.00 43.42 41.69 1pjp n LEU 179 CO 0.43 0.04 -0.30 -1.10 -1.33 0.00 0.00 177.39 175.12 1pjp s GLN 180 N -3.39 1.17 0.03 3.23 -0.21 0.33 -1.39 119.66 119.43 1pjp s GLN 180 Ca -0.08 -1.58 0.05 0.00 0.02 0.00 0.00 55.36 53.77 1pjp s GLN 180 Cb 0.13 -0.19 -0.03 0.00 1.00 0.00 0.00 33.01 33.91 1pjp s GLN 180 CO 0.89 -0.19 -0.11 -0.51 -2.12 0.00 0.00 175.29 173.25 1pjp s LEU 181 N -3.19 2.98 -0.34 2.90 1.43 0.42 -4.52 118.68 118.34 1pjp s LEU 181 Ca 0.28 -0.26 -0.09 0.00 -1.03 0.00 0.00 54.13 53.03 1pjp s LEU 181 Cb 0.07 -1.73 0.02 0.00 0.03 0.00 0.00 46.19 44.58 1pjp s LEU 181 CO 0.06 0.26 0.15 0.00 0.23 0.00 0.00 176.35 177.05 1pjp s VAL 183 N 1.50 1.51 0.00 0.00 1.01 -0.46 0.09 120.40 124.05 1pjp s VAL 183 Ca 0.01 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.26 1pjp s VAL 183 Cb -0.19 -1.32 0.00 0.00 0.00 0.00 0.00 36.38 34.88 1pjp s VAL 183 CO 0.05 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.19 1pjp n GLY 184 N 3.41 2.25 3.65 4.51 0.00 0.00 -0.34 105.19 118.67 1pjp n GLY 184 Ca -0.20 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.45 1pjp n GLY 184 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1pjp s ASN 185 N 0.00 6.51 0.52 1.61 3.84 -1.26 -3.11 114.94 123.05 1pjp s ASN 185 Ca 0.00 2.20 0.34 0.00 0.21 0.00 0.00 52.86 55.61 1pjp s ASN 185 Cb 0.00 -2.53 1.85 0.00 -0.55 0.00 0.00 41.25 40.02 1pjp s ASN 185 CO 0.00 -1.06 2.04 1.55 -2.79 0.00 0.00 177.10 176.84 1pjp h PRO 185 N 10.25 0.00 -0.00 0.43 0.13 -1.97 -1.26 132.00 139.58 1pjp h PRO 185 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1pjp h PRO 185 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1pjp h PRO 185 CO 0.96 0.00 -0.06 0.54 -0.23 0.00 0.00 178.00 179.21 1pjp n ARG 185 N -2.71 0.24 -4.26 0.86 1.74 -1.26 -4.83 116.66 106.44 1pjp n ARG 185 Ca -0.02 -0.03 -0.25 0.00 -0.77 0.00 0.00 57.85 56.78 1pjp n ARG 185 Cb 0.07 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 29.93 1pjp n ARG 185 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1pjp s LYS 186 N -2.78 2.15 -0.11 5.56 3.01 -0.48 -5.06 119.74 122.03 1pjp s LYS 186 Ca 0.21 -1.82 0.16 0.00 -1.01 0.00 0.00 55.97 53.51 1pjp s LYS 186 Cb 0.19 -1.94 -0.24 0.00 -1.01 0.00 0.00 37.83 34.84 1pjp s LYS 186 CO 0.51 0.00 0.38 0.25 0.51 0.00 0.00 175.35 177.00 1pjp n THR 187 N -1.10 1.44 -1.54 2.17 -2.24 -1.26 -4.64 114.28 107.11 1pjp n THR 187 Ca -0.03 -0.81 -0.50 0.00 -2.27 0.00 0.00 64.05 60.44 1pjp n THR 187 Cb 0.64 -0.71 -0.04 0.00 -2.10 0.00 0.00 70.33 68.11 1pjp n THR 187 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1pjp n LYS 188 N -2.87 0.85 -3.61 -0.78 5.02 -1.26 -4.73 118.16 110.79 1pjp n LYS 188 Ca -0.24 0.30 -0.02 0.00 -2.02 0.00 0.00 58.31 56.33 1pjp n LYS 188 Cb 1.08 -1.73 -0.01 0.00 -0.02 0.00 0.00 35.03 34.35 1pjp n LYS 188 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1pjp s SER 189 N -0.16 -0.10 0.45 4.39 0.15 -0.82 -4.74 113.70 112.86 1pjp s SER 189 Ca 0.74 -0.05 -0.11 0.00 0.70 0.00 0.00 55.95 57.23 1pjp s SER 189 Cb -0.91 0.14 -0.06 0.00 -1.71 0.00 0.00 66.02 63.48 1pjp s SER 189 CO 0.54 -0.24 0.82 0.00 1.20 0.00 0.00 173.24 175.55 1pjp s ALA 190 N -2.40 3.30 0.09 5.45 0.00 -1.26 -0.80 121.76 126.14 1pjp s ALA 190 Ca 0.11 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 51.88 1pjp s ALA 190 Cb 0.01 -2.77 0.00 0.00 0.00 0.00 0.00 23.12 20.36 1pjp s ALA 190 CO -0.04 -0.14 0.11 0.34 0.00 0.00 0.00 175.76 176.03 1pjp n PHE 191 N -1.58 -0.59 -1.64 0.00 7.35 -1.26 -4.84 117.46 114.91 1pjp n PHE 191 Ca 0.03 -0.62 -0.48 0.00 -0.76 0.00 0.00 57.45 55.62 1pjp n PHE 191 Cb 0.54 0.13 -0.04 0.00 0.35 0.00 0.00 39.48 40.45 1pjp n PHE 191 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1pjp n LYS 192 N -0.15 1.75 0.00 -4.13 5.02 -1.26 -1.54 118.16 117.85 1pjp n LYS 192 Ca 0.01 0.63 0.00 0.00 -2.02 0.00 0.00 58.31 56.92 1pjp n LYS 192 Cb 0.15 -2.32 0.00 0.00 -0.02 0.00 0.00 35.03 32.84 1pjp n LYS 192 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pjp n GLY 193 N 2.82 3.47 0.04 0.72 0.00 -1.26 -0.80 105.19 110.18 1pjp n GLY 193 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 1pjp n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pjp n ASP 194 N 0.00 0.31 -4.61 1.61 8.00 -0.59 -3.44 116.55 117.83 1pjp n ASP 194 Ca 0.00 -0.08 -0.45 0.00 0.71 0.00 0.00 54.79 54.97 1pjp n ASP 194 Cb 0.00 -0.12 -0.02 0.00 -0.02 0.00 0.00 41.12 40.96 1pjp n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1pjp n SER 195 N -1.33 1.66 0.00 -2.24 7.64 -1.26 -1.74 113.62 116.35 1pjp n SER 195 Ca 0.09 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.14 1pjp n SER 195 Cb 0.32 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 1pjp n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pjp n GLY 196 N 1.51 2.60 3.77 0.23 0.00 -0.58 0.04 105.19 112.77 1pjp n GLY 196 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 1pjp n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pjp s GLY 197 N -2.12 2.91 0.39 -0.02 0.00 -0.71 -3.26 107.32 104.51 1pjp s GLY 197 Ca 0.00 1.00 -0.21 0.00 0.00 0.00 0.00 44.72 45.51 1pjp s GLY 197 CO 0.00 1.55 0.91 2.56 0.00 0.00 0.00 173.10 178.12 1pjp s PRO 198 N -2.11 4.26 -0.30 2.90 0.04 -1.26 -1.13 135.00 137.40 1pjp s PRO 198 Ca 0.54 1.09 -0.09 0.00 0.04 0.00 0.00 61.00 62.58 1pjp s PRO 198 Cb -0.32 -2.35 -0.01 0.00 0.04 0.00 0.00 34.50 31.85 1pjp s PRO 198 CO 0.41 0.07 0.13 -1.17 0.04 0.00 0.00 177.00 176.48 1pjp s LEU 199 N -2.91 3.95 -0.19 -3.56 2.96 -0.00 -4.29 118.68 114.64 1pjp s LEU 199 Ca 0.58 -0.44 -0.06 0.00 -0.22 0.00 0.00 54.13 53.99 1pjp s LEU 199 Cb -0.11 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 44.56 1pjp s LEU 199 CO 0.16 -0.15 0.02 -0.76 -1.32 0.00 0.00 176.35 174.30 1pjp s LEU 200 N 1.62 3.50 -0.09 -0.68 1.02 -0.35 -0.07 118.68 123.62 1pjp s LEU 200 Ca 0.05 -0.07 0.03 0.00 0.02 0.00 0.00 54.13 54.16 1pjp s LEU 200 Cb -0.17 -1.88 0.01 0.00 0.02 0.00 0.00 46.19 44.17 1pjp s LEU 200 CO 0.06 0.13 -0.17 0.00 0.02 0.00 0.00 176.35 176.38 1pjp n ALA 202 N 3.88 -0.34 -0.64 0.00 0.00 -1.26 -1.29 120.51 120.85 1pjp n ALA 202 Ca -0.20 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1pjp n ALA 202 Cb 0.52 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 18.03 1pjp n ALA 202 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pjp n GLY 207 N -0.72 0.73 3.30 0.00 0.00 -1.26 -5.05 105.19 102.18 1pjp n GLY 207 Ca -0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 1pjp n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pjp s ALA 208 N -2.42 2.02 -0.05 4.61 0.00 -0.41 -5.06 121.76 120.44 1pjp s ALA 208 Ca 0.00 -1.15 -0.30 0.00 0.00 0.00 0.00 51.96 50.51 1pjp s ALA 208 Cb 0.00 -0.43 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 1pjp s ALA 208 CO 0.00 0.47 1.30 0.00 0.00 0.00 0.00 175.76 177.54 1pjp s ALA 209 N -0.77 3.56 -0.07 0.00 0.00 -1.26 -0.25 121.76 122.96 1pjp s ALA 209 Ca 0.10 0.71 0.07 0.00 0.00 0.00 0.00 51.96 52.84 1pjp s ALA 209 Cb -0.09 -3.57 -0.10 0.00 0.00 0.00 0.00 23.12 19.36 1pjp s ALA 209 CO 0.02 -0.90 0.04 1.04 0.00 0.00 0.00 175.76 175.95 1pjp n GLN 210 N 5.53 2.59 -4.09 0.00 1.13 0.90 -4.89 117.38 118.55 1pjp n GLN 210 Ca 0.12 -0.01 -0.15 0.00 -1.94 0.00 0.00 57.00 55.02 1pjp n GLN 210 Cb 0.45 -1.20 -0.03 0.00 0.11 0.00 0.00 30.24 29.56 1pjp n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1pjp s GLY 211 N -3.91 1.58 -0.05 1.08 0.00 -1.17 -1.92 107.32 102.94 1pjp s GLY 211 Ca -0.04 -1.57 0.02 0.00 0.00 0.00 0.00 44.72 43.13 1pjp s GLY 211 CO 0.32 -1.01 -0.08 -0.42 0.00 0.00 0.00 173.10 171.92 1pjp s ILE 212 N -2.86 0.79 0.13 0.90 1.01 -0.50 -0.82 121.20 119.84 1pjp s ILE 212 Ca 0.31 -0.29 -0.33 0.00 0.00 0.00 0.00 60.65 60.33 1pjp s ILE 212 Cb -0.01 -0.75 -0.13 0.00 0.01 0.00 0.00 42.46 41.59 1pjp s ILE 212 CO 0.22 0.27 1.69 0.52 0.00 0.00 0.00 174.94 177.64 1pjp n VAL 213 N 3.79 0.15 0.05 2.92 0.31 -0.29 -0.17 118.33 125.09 1pjp n VAL 213 Ca -0.23 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 1pjp n VAL 213 Cb 0.52 -1.77 0.00 0.00 -0.91 0.00 0.00 33.84 31.68 1pjp n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1pjp n SER 214 N 4.37 1.03 -3.67 4.52 2.88 -0.77 -1.53 113.62 120.44 1pjp n SER 214 Ca 0.18 0.14 -0.08 0.00 -1.33 0.00 0.00 58.87 57.78 1pjp n SER 214 Cb 0.32 -0.30 -0.02 0.00 -0.75 0.00 0.00 64.21 63.46 1pjp n SER 214 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 1pjp s TYR 215 N -1.95 -0.01 0.00 0.66 -0.85 -0.84 -4.90 117.35 109.46 1pjp s TYR 215 Ca 0.00 -0.47 0.00 0.00 -0.52 0.00 0.00 57.07 56.08 1pjp s TYR 215 Cb 0.00 0.64 0.00 0.00 0.38 0.00 0.00 41.96 42.98 1pjp s TYR 215 CO 0.00 -1.27 0.00 0.41 -1.52 0.00 0.00 175.55 173.17 1pjp n GLY 216 N -0.47 2.50 3.87 5.49 0.00 -1.26 -0.42 105.19 114.89 1pjp n GLY 216 Ca -0.04 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 45.08 1pjp n GLY 216 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pjp s ARG 217 N 1.57 3.69 0.64 1.61 0.52 -1.26 -4.98 118.95 120.74 1pjp s ARG 217 Ca 0.00 0.11 0.41 0.00 -0.52 0.00 0.00 55.73 55.73 1pjp s ARG 217 Cb 0.00 -3.13 2.20 0.00 0.52 0.00 0.00 34.95 34.55 1pjp s ARG 217 CO 0.00 0.67 2.30 0.66 0.02 0.00 0.00 175.30 178.95 1pjp h SER 218 N 4.34 0.00 -0.16 0.23 4.64 -2.01 0.14 113.55 120.72 1pjp h SER 218 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1pjp h SER 218 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1pjp h SER 218 CO 0.63 0.01 0.00 -0.90 -0.87 0.00 0.00 176.83 175.70 1pjp n ASP 219 N -3.18 1.73 -0.46 4.97 5.68 -1.26 -4.94 116.55 119.08 1pjp n ASP 219 Ca -0.02 -1.70 -0.06 0.00 -0.50 0.00 0.00 54.79 52.50 1pjp n ASP 219 Cb 0.11 -0.10 -0.03 0.00 -1.14 0.00 0.00 41.12 39.96 1pjp n ASP 219 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1pjp n ALA 220 N 0.36 -0.09 -2.46 2.12 0.00 0.48 -4.94 120.51 115.98 1pjp n ALA 220 Ca 0.16 0.10 -0.43 0.00 0.00 0.00 0.00 53.44 53.27 1pjp n ALA 220 Cb 0.34 -1.17 -0.02 0.00 0.00 0.00 0.00 19.45 18.60 1pjp n ALA 220 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1pjp s LYS 221 N -2.09 4.27 0.87 0.00 1.02 -1.26 -4.89 119.74 117.66 1pjp s LYS 221 Ca 0.00 1.63 -0.11 0.00 0.02 0.00 0.00 55.97 57.51 1pjp s LYS 221 Cb 0.00 -3.69 0.11 0.00 -0.52 0.00 0.00 37.83 33.73 1pjp s LYS 221 CO 0.00 -0.62 1.11 -1.25 -0.92 0.00 0.00 175.35 173.67 1pjp s PRO 224 N 3.08 1.46 0.85 -1.68 0.04 -1.26 -4.55 135.00 132.94 1pjp s PRO 224 Ca 0.54 1.21 -0.12 0.00 0.04 0.00 0.00 61.00 62.67 1pjp s PRO 224 Cb -0.22 -1.80 0.10 0.00 0.04 0.00 0.00 34.50 32.62 1pjp s PRO 224 CO 0.16 -2.21 1.15 -2.14 0.04 0.00 0.00 177.00 174.00 1pjp s PRO 225 N -4.80 1.68 0.32 0.56 0.02 -1.18 -4.37 135.00 127.23 1pjp s PRO 225 Ca 0.64 0.23 0.10 0.00 0.02 0.00 0.00 61.00 61.98 1pjp s PRO 225 Cb -0.20 -1.91 -0.05 0.00 0.02 0.00 0.00 34.50 32.36 1pjp s PRO 225 CO 0.57 -1.82 -0.05 0.00 -0.33 0.00 0.00 177.00 175.38 1pjp s ALA 226 N -3.43 3.07 -0.19 -1.55 0.00 0.54 -4.69 121.76 115.52 1pjp s ALA 226 Ca 0.62 -1.94 -0.06 0.00 0.00 0.00 0.00 51.96 50.58 1pjp s ALA 226 Cb -0.13 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.63 1pjp s ALA 226 CO 0.51 0.13 0.03 0.08 0.00 0.00 0.00 175.76 176.51 1pjp s VAL 227 N -2.51 4.36 0.08 0.00 1.01 0.44 -1.35 120.40 122.41 1pjp s VAL 227 Ca 0.33 -0.18 0.07 0.00 0.00 0.00 0.00 61.98 62.20 1pjp s VAL 227 Cb -0.01 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 1pjp s VAL 227 CO 0.18 0.44 -0.12 -0.36 0.00 0.00 0.00 175.10 175.24 1pjp s PHE 228 N 0.67 2.70 0.10 5.22 0.40 -0.52 -1.85 117.98 124.70 1pjp s PHE 228 Ca 0.01 -0.17 -0.30 0.00 -0.60 0.00 0.00 56.93 55.87 1pjp s PHE 228 Cb -0.14 -1.46 -0.06 0.00 0.51 0.00 0.00 43.02 41.88 1pjp s PHE 228 CO 0.02 0.38 1.13 0.99 0.70 0.00 0.00 175.22 178.43 1pjp s THR 229 N -1.11 4.08 -0.53 0.64 2.01 0.76 -0.44 115.64 121.05 1pjp s THR 229 Ca 0.19 1.61 -0.27 0.00 0.31 0.00 0.00 61.69 63.52 1pjp s THR 229 Cb -0.11 -4.03 0.03 0.00 0.01 0.00 0.00 72.50 68.41 1pjp s THR 229 CO 0.10 0.19 1.08 -0.60 -0.69 0.00 0.00 174.62 174.71 1pjp s ARG 230 N 0.46 3.53 0.15 4.92 3.52 -0.48 -1.41 118.95 129.63 1pjp s ARG 230 Ca 0.54 0.21 -0.17 0.00 -0.13 0.00 0.00 55.73 56.17 1pjp s ARG 230 Cb -0.28 -3.98 0.02 0.00 -1.56 0.00 0.00 34.95 29.15 1pjp s ARG 230 CO 0.31 -1.49 1.77 0.82 -0.81 0.00 0.00 175.30 175.90 1pjp h ILE 231 N 6.14 0.96 -0.94 4.11 2.04 -1.70 -3.07 117.51 125.04 1pjp h ILE 231 Ca -0.25 -0.10 0.28 0.00 1.00 0.00 0.00 64.86 65.79 1pjp h ILE 231 Cb 1.06 0.63 -0.15 0.00 -0.74 0.00 0.00 36.82 37.63 1pjp h ILE 231 CO 1.13 0.06 0.38 0.77 0.00 0.00 0.00 178.15 180.48 1pjp h SER 232 N 0.30 0.21 0.08 1.72 4.64 -1.92 0.13 113.55 118.71 1pjp h SER 232 Ca 0.14 0.20 -0.01 0.00 -0.47 0.00 0.00 61.79 61.65 1pjp h SER 232 Cb 0.07 0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1pjp h SER 232 CO -0.11 -0.17 -0.04 -0.74 -0.87 0.00 0.00 176.83 174.90 1pjp h HIS 233 N 0.24 0.00 -0.23 4.77 -0.00 -1.86 -2.59 115.15 115.47 1pjp h HIS 233 Ca 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 61.01 1pjp h HIS 233 Cb 1.39 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.80 1pjp h HIS 233 CO -0.16 0.04 0.00 0.66 -0.00 0.00 0.00 177.93 178.47 1pjp n TYR 234 N -4.05 0.29 -0.25 5.26 4.02 0.43 -4.63 117.16 118.23 1pjp n TYR 234 Ca -0.03 -0.19 0.06 0.00 -0.01 0.00 0.00 57.90 57.73 1pjp n TYR 234 Cb 0.13 -0.00 0.18 0.00 -0.02 0.00 0.00 39.34 39.62 1pjp n TYR 234 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 176.86 176.22 1pjp h GLN 235 N 3.47 0.16 -0.67 -0.72 5.75 -1.09 -0.67 115.11 121.34 1pjp h GLN 235 Ca 0.00 -0.01 -0.05 0.00 -0.15 0.00 0.00 58.65 58.44 1pjp h GLN 235 Cb 0.80 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.29 1pjp h GLN 235 CO 0.00 0.10 0.21 -1.00 -2.65 0.00 0.00 178.83 175.50 1pjp h PRO 236 N 0.16 1.03 -0.40 -2.39 0.13 -1.82 -1.40 132.00 127.31 1pjp h PRO 236 Ca 0.42 -0.20 -0.07 0.00 -0.87 0.00 0.00 66.00 65.28 1pjp h PRO 236 Cb 0.75 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.71 1pjp h PRO 236 CO -0.61 0.87 -0.04 2.35 -0.23 0.00 0.00 178.00 180.35 1pjp h TRP 237 N 0.99 0.80 -0.18 1.56 7.01 -1.61 -1.37 115.95 123.16 1pjp h TRP 237 Ca 0.22 -0.15 0.03 0.00 2.11 0.00 0.00 58.89 61.09 1pjp h TRP 237 Cb 0.27 -0.20 -0.03 0.00 -2.10 0.00 0.00 29.16 27.10 1pjp h TRP 237 CO 0.02 0.83 0.02 0.82 -2.79 0.00 0.00 178.44 177.34 1pjp h ILE 238 N 0.55 0.89 -0.37 2.65 2.04 -0.95 -1.72 117.51 120.60 1pjp h ILE 238 Ca 0.11 -0.03 0.05 0.00 1.00 0.00 0.00 64.86 65.98 1pjp h ILE 238 Cb 0.53 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.37 1pjp h ILE 238 CO 0.03 0.02 0.12 0.78 0.00 0.00 0.00 178.15 179.09 1pjp h ASN 239 N 0.08 0.12 -0.25 1.72 2.35 -1.17 -1.00 115.58 117.43 1pjp h ASN 239 Ca 0.08 0.04 0.06 0.00 -0.55 0.00 0.00 56.30 55.94 1pjp h ASN 239 Cb 0.09 0.04 -0.08 0.00 0.05 0.00 0.00 38.32 38.42 1pjp h ASN 239 CO -0.13 0.10 -0.35 -0.61 -1.65 0.00 0.00 177.43 174.79 1pjp h GLN 240 N 0.27 -0.34 -0.52 0.81 4.15 -0.78 0.11 115.11 118.80 1pjp h GLN 240 Ca 0.17 0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.61 1pjp h GLN 240 Cb 0.16 0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.90 1pjp h GLN 240 CO -0.18 -0.23 0.32 0.82 -1.93 0.00 0.00 178.83 177.63 1pjp h ILE 241 N -0.35 1.15 -0.65 2.39 1.08 -0.96 -2.30 117.51 117.86 1pjp h ILE 241 Ca 0.12 -0.33 0.01 0.00 -0.39 0.00 0.00 64.86 64.28 1pjp h ILE 241 Cb 0.56 0.43 -0.03 0.00 -3.07 0.00 0.00 36.82 34.71 1pjp h ILE 241 CO -0.45 0.15 0.43 -0.07 -0.69 0.00 0.00 178.15 177.53 1pjp h LEU 242 N 0.70 0.74 -1.47 1.44 3.38 -0.59 -2.63 115.31 116.89 1pjp h LEU 242 Ca 0.19 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.09 1pjp h LEU 242 Cb -0.03 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1pjp h LEU 242 CO -0.04 0.53 -0.27 1.56 0.09 0.00 0.00 178.44 180.31 1pjp h GLN 243 N 0.87 0.00 -0.02 1.13 1.08 -0.45 -2.97 115.11 114.74 1pjp h GLN 243 Ca 0.24 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.44 1pjp h GLN 243 Cb -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.35 1pjp h GLN 243 CO -0.06 0.27 -0.01 0.00 -0.95 0.00 0.00 178.83 178.08 1pjp n ALA 244 N -2.48 2.55 -1.02 3.87 0.00 -0.90 -5.10 120.51 117.43 1pjp n ALA 244 Ca -0.02 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.88 1pjp n ALA 244 Cb 0.32 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.74 1pjp n ALA 244 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59