#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wjp s SER 2 N 0.00 0.00 0.16 1.61 0.15 -1.26 -5.17 113.70 109.19 1wjp s SER 2 Ca 0.00 -0.12 0.01 0.00 0.70 0.00 0.00 55.95 56.53 1wjp s SER 2 Cb 0.00 0.22 -0.04 0.00 -1.71 0.00 0.00 66.02 64.49 1wjp s SER 2 CO 0.00 -0.31 0.03 -0.94 1.20 0.00 0.00 173.24 173.23 1wjp s SER 3 N -1.11 0.82 0.00 5.45 1.04 -1.26 -5.16 113.70 113.48 1wjp s SER 3 Ca -0.12 -1.20 0.00 0.00 0.48 0.00 0.00 55.95 55.11 1wjp s SER 3 Cb -0.06 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.25 1wjp s SER 3 CO 0.01 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.19 1wjp n GLY 4 N -0.19 -2.25 3.50 7.32 0.00 -1.26 -5.10 105.19 107.21 1wjp n GLY 4 Ca -0.06 -1.05 -0.14 0.00 0.00 0.00 0.00 46.02 44.77 1wjp n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wjp s SER 5 N -1.74 0.83 -0.07 1.61 1.04 -1.26 -5.16 113.70 108.94 1wjp s SER 5 Ca 0.00 -1.44 -0.00 0.00 0.48 0.00 0.00 55.95 54.98 1wjp s SER 5 Cb 0.00 0.66 0.02 0.00 0.10 0.00 0.00 66.02 66.81 1wjp s SER 5 CO 0.00 -1.30 -0.03 -0.44 0.98 0.00 0.00 173.24 172.45 1wjp s SER 6 N -3.22 1.43 0.43 7.02 0.01 -1.26 -5.15 113.70 112.96 1wjp s SER 6 Ca 0.30 -0.14 0.02 0.00 1.31 0.00 0.00 55.95 57.44 1wjp s SER 6 Cb -0.00 -0.51 0.02 0.00 0.21 0.00 0.00 66.02 65.73 1wjp s SER 6 CO 0.19 -0.12 0.16 0.61 0.41 0.00 0.00 173.24 174.49 1wjp n GLY 7 N 4.65 3.26 3.94 3.44 0.00 -1.26 -5.14 105.19 114.08 1wjp n GLY 7 Ca -0.15 -2.31 -0.24 0.00 0.00 0.00 0.00 46.02 43.32 1wjp n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wjp s ALA 8 N -2.67 3.72 -0.53 4.61 0.00 -1.26 -5.07 121.76 120.56 1wjp s ALA 8 Ca 0.12 -0.93 -0.03 0.00 0.00 0.00 0.00 51.96 51.12 1wjp s ALA 8 Cb -0.01 -2.07 0.14 0.00 0.00 0.00 0.00 23.12 21.18 1wjp s ALA 8 CO 0.08 0.03 0.34 -1.12 0.00 0.00 0.00 175.76 175.09 1wjp s SER 9 N -3.98 5.25 -0.20 0.00 0.01 -1.26 -5.07 113.70 108.46 1wjp s SER 9 Ca 0.39 -2.51 -0.29 0.00 1.31 0.00 0.00 55.95 54.86 1wjp s SER 9 Cb -0.10 -1.85 -0.03 0.00 0.21 0.00 0.00 66.02 64.26 1wjp s SER 9 CO 0.35 -0.45 1.59 -2.16 0.41 0.00 0.00 173.24 172.98 1wjp s PRO 10 N 0.45 3.87 -0.07 12.44 0.04 -1.26 -5.00 135.00 145.47 1wjp s PRO 10 Ca 0.13 1.72 0.01 0.00 0.04 0.00 0.00 61.00 62.89 1wjp s PRO 10 Cb -0.21 -4.01 0.02 0.00 0.04 0.00 0.00 34.50 30.34 1wjp s PRO 10 CO -0.04 -1.20 -0.06 0.54 0.04 0.00 0.00 177.00 176.28 1wjp s VAL 11 N 4.94 0.75 -0.08 -0.36 0.11 -1.26 -5.14 120.40 119.36 1wjp s VAL 11 Ca 0.70 -0.20 -0.06 0.00 -2.93 0.00 0.00 61.98 59.49 1wjp s VAL 11 Cb -0.26 -0.77 -0.04 0.00 -1.53 0.00 0.00 36.38 33.79 1wjp s VAL 11 CO 0.28 0.29 0.16 -1.61 -3.33 0.00 0.00 175.10 170.89 1wjp s GLU 12 N 1.19 3.45 -0.21 1.54 2.02 -1.26 -5.09 118.70 120.34 1wjp s GLU 12 Ca -0.06 -0.18 -0.32 0.00 0.02 0.00 0.00 54.97 54.43 1wjp s GLU 12 Cb -0.14 -3.16 0.15 0.00 0.10 0.00 0.00 34.13 31.08 1wjp s GLU 12 CO -0.02 0.74 1.21 1.21 0.02 0.00 0.00 175.26 178.43 1wjp s ASN 13 N -1.32 -0.15 0.54 -0.19 3.84 -1.26 -5.18 114.94 111.22 1wjp s ASN 13 Ca 0.19 0.09 0.08 0.00 0.21 0.00 0.00 52.86 53.43 1wjp s ASN 13 Cb -0.12 0.14 0.07 0.00 -0.55 0.00 0.00 41.25 40.79 1wjp s ASN 13 CO 0.09 -0.20 0.75 -0.54 -2.79 0.00 0.00 177.10 174.41 1wjp s LYS 14 N -1.75 2.40 -0.37 0.43 1.02 -1.26 -5.04 119.74 115.17 1wjp s LYS 14 Ca 0.07 -1.41 -0.29 0.00 0.02 0.00 0.00 55.97 54.36 1wjp s LYS 14 Cb -0.01 -2.64 0.01 0.00 -0.52 0.00 0.00 37.83 34.68 1wjp s LYS 14 CO -0.04 -0.75 1.29 -1.21 -0.92 0.00 0.00 175.35 173.71 1wjp s GLU 15 N -4.63 3.78 0.08 1.68 2.02 -1.26 -5.00 118.70 115.36 1wjp s GLU 15 Ca 0.60 1.00 0.04 0.00 0.02 0.00 0.00 54.97 56.63 1wjp s GLU 15 Cb -0.07 -3.92 -0.03 0.00 0.10 0.00 0.00 34.13 30.21 1wjp s GLU 15 CO 0.38 -1.30 -0.12 0.54 0.02 0.00 0.00 175.26 174.78 1wjp s VAL 16 N 4.68 0.99 -0.78 2.63 0.11 -1.26 -5.10 120.40 121.66 1wjp s VAL 16 Ca 0.55 -1.41 -0.15 0.00 -2.93 0.00 0.00 61.98 58.04 1wjp s VAL 16 Cb -0.13 -1.13 0.19 0.00 -1.53 0.00 0.00 36.38 33.78 1wjp s VAL 16 CO 0.27 -0.37 0.76 -0.31 -3.33 0.00 0.00 175.10 172.12 1wjp s TYR 17 N -1.73 3.60 0.12 1.54 2.02 -1.26 -5.01 117.35 116.63 1wjp s TYR 17 Ca 0.00 -1.79 -0.11 0.00 -0.37 0.00 0.00 57.07 54.80 1wjp s TYR 17 Cb -0.07 -3.87 -0.06 0.00 -0.40 0.00 0.00 41.96 37.56 1wjp s TYR 17 CO 0.01 -1.05 0.46 -0.65 -1.57 0.00 0.00 175.55 172.75 1wjp s GLN 18 N 0.71 3.82 0.11 -0.62 -0.21 -1.26 -0.38 119.66 121.83 1wjp s GLN 18 Ca 0.17 0.26 -0.30 0.00 0.02 0.00 0.00 55.36 55.51 1wjp s GLN 18 Cb -0.13 -2.92 -0.07 0.00 1.00 0.00 0.00 33.01 30.89 1wjp s GLN 18 CO -0.07 0.50 1.20 0.00 -2.12 0.00 0.00 175.29 174.81 1wjp n ARG 20 N 3.39 1.10 0.00 0.00 5.12 -1.26 0.38 116.66 125.38 1wjp n ARG 20 Ca 0.07 -0.08 0.00 0.00 -1.93 0.00 0.00 57.85 55.91 1wjp n ARG 20 Cb 0.46 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.26 1wjp n ARG 20 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1wjp n LEU 21 N 0.03 1.60 0.00 0.55 4.77 -1.26 -4.86 117.00 117.83 1wjp n LEU 21 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1wjp n LEU 21 Cb 0.28 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1wjp n LEU 21 CO 0.01 0.25 0.06 0.00 -1.33 0.00 0.00 177.39 176.38 1wjp n ASN 23 N -0.51 -4.96 -4.68 0.00 4.13 0.16 -4.95 115.26 104.46 1wjp n ASN 23 Ca 0.00 -0.35 -0.37 0.00 1.68 0.00 0.00 54.58 55.54 1wjp n ASN 23 Cb 0.02 -3.58 -0.08 0.00 -1.54 0.00 0.00 39.78 34.60 1wjp n ASN 23 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wjp s ALA 24 N -3.19 3.59 0.27 5.41 0.00 -1.25 -4.62 121.76 121.96 1wjp s ALA 24 Ca 0.38 -0.67 -0.30 0.00 0.00 0.00 0.00 51.96 51.37 1wjp s ALA 24 Cb -0.17 -2.45 -0.11 0.00 0.00 0.00 0.00 23.12 20.39 1wjp s ALA 24 CO 0.47 -0.18 1.56 0.15 0.00 0.00 0.00 175.76 177.76 1wjp s LYS 25 N 1.04 4.16 0.52 0.00 1.02 -1.26 -1.61 119.74 123.61 1wjp s LYS 25 Ca 0.13 2.50 0.08 0.00 0.02 0.00 0.00 55.97 58.71 1wjp s LYS 25 Cb -0.14 -3.05 0.06 0.00 -0.52 0.00 0.00 37.83 34.18 1wjp s LYS 25 CO 0.05 -0.58 0.71 -0.51 -0.92 0.00 0.00 175.35 174.10 1wjp s LEU 26 N -0.36 3.32 0.03 3.17 2.01 0.49 -4.95 118.68 122.39 1wjp s LEU 26 Ca 0.63 -0.64 0.22 0.00 0.01 0.00 0.00 54.13 54.35 1wjp s LEU 26 Cb -0.46 -2.08 -0.21 0.00 0.01 0.00 0.00 46.19 43.45 1wjp s LEU 26 CO 0.46 -1.13 0.69 -0.24 1.01 0.00 0.00 176.35 177.14 1wjp n SER 27 N -2.11 0.32 -3.51 2.29 2.88 -1.26 -4.68 113.62 107.54 1wjp n SER 27 Ca 0.12 -0.01 -0.09 0.00 -1.33 0.00 0.00 58.87 57.56 1wjp n SER 27 Cb 0.60 1.45 -0.03 0.00 -0.75 0.00 0.00 64.21 65.49 1wjp n SER 27 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wjp s SER 28 N -4.55 -0.39 0.44 -3.46 0.01 -1.26 -5.01 113.70 99.47 1wjp s SER 28 Ca -0.04 0.11 0.24 0.00 1.31 0.00 0.00 55.95 57.57 1wjp s SER 28 Cb 0.13 0.39 1.25 0.00 0.21 0.00 0.00 66.02 68.00 1wjp s SER 28 CO 0.87 -0.59 1.75 0.25 0.41 0.00 0.00 173.24 175.93 1wjp h LEU 29 N 2.15 0.32 0.82 2.44 5.85 -1.96 -1.31 115.31 123.62 1wjp h LEU 29 Ca -0.22 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.53 1wjp h LEU 29 Cb 1.23 0.03 0.01 0.00 0.37 0.00 0.00 40.66 42.29 1wjp h LEU 29 CO 0.32 0.02 -0.39 0.25 -0.34 0.00 0.00 178.44 178.30 1wjp h LEU 30 N 0.26 -0.93 -1.72 2.25 6.46 -2.00 -2.69 115.31 116.94 1wjp h LEU 30 Ca 0.63 0.03 0.37 0.00 -0.12 0.00 0.00 57.88 58.79 1wjp h LEU 30 Cb 1.85 0.24 -0.05 0.00 -0.73 0.00 0.00 40.66 41.97 1wjp h LEU 30 CO -0.25 -0.58 1.07 -0.08 -0.62 0.00 0.00 178.44 177.97 1wjp h GLU 31 N -1.26 0.00 -0.26 1.25 4.57 -1.64 1.20 114.58 118.43 1wjp h GLU 31 Ca -0.11 0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 57.89 1wjp h GLU 31 Cb 0.84 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.43 1wjp h GLU 31 CO 0.18 0.00 -0.53 0.37 -1.18 0.00 0.00 179.01 177.85 1wjp h GLN 32 N 0.00 0.78 0.00 1.92 4.15 -1.22 0.37 115.11 121.11 1wjp h GLN 32 Ca 0.60 -0.49 -0.01 0.00 0.77 0.00 0.00 58.65 59.53 1wjp h GLN 32 Cb 2.74 0.05 -0.00 0.00 0.21 0.00 0.00 27.48 30.48 1wjp h GLN 32 CO -0.01 1.11 -0.04 0.78 -1.93 0.00 0.00 178.83 178.75 1wjp h GLY 33 N 0.82 0.00 0.00 2.39 0.00 0.16 -3.17 103.07 103.26 1wjp h GLY 33 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.02 1wjp h GLY 33 CO 0.11 0.00 -1.78 1.44 0.00 0.00 0.00 176.54 176.32 1wjp n SER 34 N -3.11 1.90 0.31 0.19 7.64 -0.59 -4.13 113.62 115.83 1wjp n SER 34 Ca 0.04 0.39 0.18 0.00 1.01 0.00 0.00 58.87 60.49 1wjp n SER 34 Cb 0.53 -0.91 0.95 0.00 -1.01 0.00 0.00 64.21 63.77 1wjp n SER 34 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 1wjp h HIS 35 N -1.00 0.00 0.00 1.43 6.17 -0.39 0.47 115.15 121.83 1wjp h HIS 35 Ca -0.49 0.00 0.00 0.00 0.71 0.00 0.00 60.37 60.59 1wjp h HIS 35 Cb 1.43 0.00 0.00 0.00 2.52 0.00 0.00 27.41 31.36 1wjp h HIS 35 CO 0.02 0.00 -0.03 0.93 0.71 0.00 0.00 177.93 179.56 1wjp h GLU 36 N 0.00 0.00 -0.01 5.26 5.08 -1.71 -1.20 114.58 121.99 1wjp h GLU 36 Ca 0.02 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.15 1wjp h GLU 36 Cb 0.45 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.71 1wjp h GLU 36 CO -0.00 0.00 -0.87 0.00 -1.00 0.00 0.00 179.01 177.14 1wjp h ARG 37 N 0.00 0.61 0.00 2.33 3.08 -0.21 -3.22 114.38 116.97 1wjp h ARG 37 Ca 0.00 -0.64 -0.18 0.00 0.07 0.00 0.00 59.98 59.23 1wjp h ARG 37 Cb 0.96 0.18 -0.03 0.00 0.08 0.00 0.00 29.97 31.16 1wjp h ARG 37 CO 0.00 1.25 -1.31 1.37 -1.07 0.00 0.00 179.97 180.21 1wjp h LEU 38 N 0.24 0.00 -0.80 3.04 -0.00 -1.61 -3.31 115.31 112.87 1wjp h LEU 38 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.77 1wjp h LEU 38 Cb 1.54 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.20 1wjp h LEU 38 CO 0.17 0.66 0.00 0.00 -0.00 0.00 0.00 178.44 179.27 1wjp n ARG 40 N -0.11 0.54 -0.09 0.00 0.63 -1.22 -4.62 116.66 111.81 1wjp n ARG 40 Ca 0.02 0.05 -0.09 0.00 -0.92 0.00 0.00 57.85 56.91 1wjp n ARG 40 Cb 0.21 -1.19 -0.14 0.00 0.45 0.00 0.00 32.46 31.79 1wjp n ARG 40 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1wjp n ASN 41 N -2.72 0.72 -0.25 6.15 5.15 -1.22 -4.57 115.26 118.52 1wjp n ASN 41 Ca -0.16 -0.00 -0.06 0.00 -0.60 0.00 0.00 54.58 53.76 1wjp n ASN 41 Cb 0.69 0.92 -0.05 0.00 -0.53 0.00 0.00 39.78 40.81 1wjp n ASN 41 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wjp n ALA 42 N -2.65 -0.33 -3.62 5.20 0.00 -0.36 -3.44 120.51 115.31 1wjp n ALA 42 Ca -0.28 0.53 -0.29 0.00 0.00 0.00 0.00 53.44 53.39 1wjp n ALA 42 Cb 1.07 -0.12 -0.14 0.00 0.00 0.00 0.00 19.45 20.26 1wjp n ALA 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wjp s ALA 43 N -5.35 1.39 -0.18 0.00 0.00 -1.23 -4.53 121.76 111.86 1wjp s ALA 43 Ca -0.07 -1.88 -0.01 0.00 0.00 0.00 0.00 51.96 50.00 1wjp s ALA 43 Cb 0.08 -1.65 0.00 0.00 0.00 0.00 0.00 23.12 21.54 1wjp s ALA 43 CO 0.38 -1.89 -0.13 0.08 0.00 0.00 0.00 175.76 174.20 1wjp s VAL 44 N 1.21 2.79 -0.25 0.00 1.01 -1.22 -1.00 120.40 122.93 1wjp s VAL 44 Ca 0.14 -0.71 -0.29 0.00 0.00 0.00 0.00 61.98 61.12 1wjp s VAL 44 Cb -0.21 -2.21 0.01 0.00 0.00 0.00 0.00 36.38 33.97 1wjp s VAL 44 CO -0.13 0.49 1.12 0.00 0.00 0.00 0.00 175.10 176.58 1wjp n PRO 46 N 6.62 0.49 -0.11 0.00 -0.04 -1.26 0.17 135.00 140.87 1wjp n PRO 46 Ca 0.13 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.38 1wjp n PRO 46 Cb 0.46 -1.21 -0.07 0.00 -0.04 0.00 0.00 33.50 32.64 1wjp n PRO 46 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1wjp n TYR 47 N -0.71 0.00 0.39 0.54 4.01 -1.26 -4.72 117.16 115.41 1wjp n TYR 47 Ca 0.05 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.83 1wjp n TYR 47 Cb 0.02 -0.74 -0.01 0.00 -0.31 0.00 0.00 39.34 38.31 1wjp n TYR 47 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1wjp n SER 49 N -0.40 -3.79 -3.18 0.00 2.88 0.46 -4.99 113.62 104.60 1wjp n SER 49 Ca 0.03 -0.42 -0.18 0.00 -1.33 0.00 0.00 58.87 56.97 1wjp n SER 49 Cb 0.18 -3.82 0.13 0.00 -0.75 0.00 0.00 64.21 59.95 1wjp n SER 49 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1wjp n LEU 50 N -3.55 0.00 -3.36 2.46 4.77 -1.22 -4.75 117.00 111.36 1wjp n LEU 50 Ca -0.09 -0.89 -0.11 0.00 -0.03 0.00 0.00 56.01 54.89 1wjp n LEU 50 Cb 0.58 -0.63 -0.08 0.00 -2.33 0.00 0.00 43.42 40.96 1wjp n LEU 50 CO 0.46 -1.15 -0.09 -0.13 -1.33 0.00 0.00 177.39 175.15 1wjp s ARG 51 N -4.78 0.35 -0.09 3.23 0.52 -1.25 -3.22 118.95 113.70 1wjp s ARG 51 Ca 0.47 0.26 -0.03 0.00 -0.52 0.00 0.00 55.73 55.91 1wjp s ARG 51 Cb -0.01 -0.51 -0.03 0.00 0.52 0.00 0.00 34.95 34.91 1wjp s ARG 51 CO 0.33 -0.84 0.03 -0.06 0.02 0.00 0.00 175.30 174.78 1wjp s PHE 52 N 2.50 3.25 0.23 -0.53 0.40 -0.17 -4.81 117.98 118.85 1wjp s PHE 52 Ca 0.11 0.26 -0.13 0.00 -0.60 0.00 0.00 56.93 56.57 1wjp s PHE 52 Cb -0.14 -1.82 0.30 0.00 0.51 0.00 0.00 43.02 41.87 1wjp s PHE 52 CO -0.23 0.52 1.59 0.35 0.70 0.00 0.00 175.22 178.15 1wjp h PHE 53 N 5.14 -0.54 -2.57 0.36 3.57 -1.88 -3.27 116.94 117.75 1wjp h PHE 53 Ca -0.51 0.07 -0.58 0.00 3.53 0.00 0.00 57.97 60.48 1wjp h PHE 53 Cb 1.20 0.36 -0.11 0.00 2.79 0.00 0.00 35.95 40.19 1wjp h PHE 53 CO 0.66 -0.35 -0.66 -1.12 -2.23 0.00 0.00 178.31 174.60 1wjp s SER 54 N -5.24 4.60 0.34 0.41 0.01 -1.26 -4.71 113.70 107.85 1wjp s SER 54 Ca -0.15 -0.54 0.13 0.00 1.31 0.00 0.00 55.95 56.71 1wjp s SER 54 Cb 0.22 -0.90 0.59 0.00 0.21 0.00 0.00 66.02 66.14 1wjp s SER 54 CO 0.74 0.05 1.74 1.55 0.41 0.00 0.00 173.24 177.73 1wjp h PRO 55 N 2.33 0.00 -0.50 12.44 0.13 -1.79 -3.09 132.00 141.52 1wjp h PRO 55 Ca -0.46 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.55 1wjp h PRO 55 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1wjp h PRO 55 CO 0.58 0.47 -0.18 1.49 -0.23 0.00 0.00 178.00 180.13 1wjp h GLU 56 N 0.00 1.00 -0.43 0.86 4.22 -1.95 -2.78 114.58 115.50 1wjp h GLU 56 Ca -0.00 -0.41 0.01 0.00 0.08 0.00 0.00 59.36 59.03 1wjp h GLU 56 Cb 0.85 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 1wjp h GLU 56 CO 0.06 1.09 0.29 -0.07 -2.18 0.00 0.00 179.01 178.20 1wjp h LEU 57 N 0.86 0.49 -0.33 1.64 3.38 -1.93 -2.18 115.31 117.24 1wjp h LEU 57 Ca 0.12 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.93 1wjp h LEU 57 Cb 0.76 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 1wjp h LEU 57 CO 0.06 0.35 -0.36 0.50 0.09 0.00 0.00 178.44 179.08 1wjp h LYS 58 N 0.58 0.83 -0.47 1.13 3.11 -1.53 -2.96 116.57 117.25 1wjp h LYS 58 Ca 0.16 -0.45 0.09 0.00 -2.81 0.00 0.00 60.65 57.64 1wjp h LYS 58 Cb -0.06 0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.17 1wjp h LYS 58 CO -0.03 1.09 0.32 1.96 -2.81 0.00 0.00 179.45 179.98 1wjp h GLN 59 N 0.61 0.24 -0.17 1.90 4.20 -1.13 -0.19 115.11 120.57 1wjp h GLN 59 Ca 0.05 -0.01 -0.18 0.00 0.06 0.00 0.00 58.65 58.57 1wjp h GLN 59 Cb 0.95 -0.05 0.01 0.00 0.30 0.00 0.00 27.48 28.68 1wjp h GLN 59 CO 0.09 0.16 -0.58 0.93 -0.67 0.00 0.00 178.83 178.76 1wjp h GLU 60 N 0.25 0.70 -0.02 1.46 5.08 -1.36 -3.25 114.58 117.43 1wjp h GLU 60 Ca 0.22 -0.52 -0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1wjp h GLU 60 Cb 0.54 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 1wjp h GLU 60 CO -0.04 1.14 0.00 1.25 -1.00 0.00 0.00 179.01 180.36 1wjp h HIS 61 N 0.40 0.03 -1.29 4.33 2.76 -1.12 -2.92 115.15 117.36 1wjp h HIS 61 Ca -0.02 -0.01 0.39 0.00 -2.20 0.00 0.00 60.37 58.53 1wjp h HIS 61 Cb 1.21 -0.01 -0.11 0.00 1.55 0.00 0.00 27.41 30.05 1wjp h HIS 61 CO 0.09 0.33 0.85 0.93 -1.30 0.00 0.00 177.93 178.83 1wjp h GLU 62 N -0.27 0.14 -0.17 5.26 5.08 -1.16 1.56 114.58 125.03 1wjp h GLU 62 Ca 0.01 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.23 1wjp h GLU 62 Cb 0.31 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1wjp h GLU 62 CO 0.00 0.10 -0.42 1.03 -1.00 0.00 0.00 179.01 178.72 1wjp h SER 63 N 0.15 0.43 -0.31 1.42 0.87 -1.55 -3.01 113.55 111.54 1wjp h SER 63 Ca 0.74 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 61.12 1wjp h SER 63 Cb 2.36 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 64.20 1wjp h SER 63 CO -0.31 0.80 0.00 2.29 -0.53 0.00 0.00 176.83 179.08 1wjp n LYS 64 N -4.02 3.03 -2.31 2.24 2.85 0.43 -4.99 118.16 115.39 1wjp n LYS 64 Ca -0.02 -2.65 -0.42 0.00 -1.05 0.00 0.00 58.31 54.17 1wjp n LYS 64 Cb 0.51 -1.71 -0.03 0.00 -0.65 0.00 0.00 35.03 33.15 1wjp n LYS 64 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1wjp h GLU 66 N 7.98 0.00 0.09 0.00 4.11 -1.91 -1.53 114.58 123.32 1wjp h GLU 66 Ca -0.35 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 58.81 1wjp h GLU 66 Cb 1.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 1wjp h GLU 66 CO 0.92 0.00 -1.38 1.88 0.07 0.00 0.00 179.01 180.49 1wjp h TYR 67 N 0.00 0.33 -1.23 2.06 0.05 -1.91 -3.31 116.97 112.97 1wjp h TYR 67 Ca -0.00 -0.24 0.41 0.00 0.05 0.00 0.00 58.73 58.94 1wjp h TYR 67 Cb 0.01 -0.01 -0.13 0.00 1.01 0.00 0.00 36.73 37.60 1wjp h TYR 67 CO 0.00 1.25 0.77 -0.22 -1.05 0.00 0.00 178.16 178.91 1wjp h LYS 68 N 0.05 0.13 0.09 4.88 1.63 -1.55 1.01 116.57 122.80 1wjp h LYS 68 Ca -0.18 -0.01 -0.28 0.00 -0.85 0.00 0.00 60.65 59.33 1wjp h LYS 68 Cb 1.96 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 33.55 1wjp h LYS 68 CO 0.16 0.08 -1.37 1.57 -3.45 0.00 0.00 179.45 176.44 1wjp h LYS 69 N 0.13 0.19 -0.95 1.90 2.10 -1.66 -3.28 116.57 115.00 1wjp h LYS 69 Ca 0.80 -0.33 -0.17 0.00 -2.00 0.00 0.00 60.65 58.95 1wjp h LYS 69 Cb 2.35 0.12 -0.10 0.00 -0.90 0.00 0.00 32.23 33.70 1wjp h LYS 69 CO -0.47 1.08 0.21 1.28 -2.00 0.00 0.00 179.45 179.55 1wjp n LEU 70 N -3.43 4.26 -3.94 7.07 4.77 0.33 -4.74 117.00 121.33 1wjp n LEU 70 Ca -0.11 -2.21 -0.30 0.00 -0.03 0.00 0.00 56.01 53.35 1wjp n LEU 70 Cb 1.02 -0.63 -0.15 0.00 -2.33 0.00 0.00 43.42 41.32 1wjp n LEU 70 CO 0.50 0.65 -0.41 -0.89 -1.33 0.00 0.00 177.39 175.92 1wjp s THR 71 N -1.59 1.56 -0.99 -5.08 2.01 -0.15 -1.33 115.64 110.08 1wjp s THR 71 Ca 0.26 -1.33 -0.25 0.00 0.31 0.00 0.00 61.69 60.68 1wjp s THR 71 Cb 0.21 -1.87 -0.10 0.00 0.01 0.00 0.00 72.50 70.75 1wjp s THR 71 CO 0.06 -0.17 2.05 0.00 -0.69 0.00 0.00 174.62 175.87 1wjp h LEU 73 N 19.37 0.06 0.06 0.00 3.38 -1.91 1.35 115.31 137.62 1wjp h LEU 73 Ca 0.10 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.10 1wjp h LEU 73 Cb 0.98 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.69 1wjp h LEU 73 CO 1.15 0.01 -0.46 -0.33 0.09 0.00 0.00 178.44 178.90 1wjp h GLU 74 N 0.05 -0.60 -0.13 1.13 4.39 -1.97 -3.14 114.58 114.31 1wjp h GLU 74 Ca 0.56 0.04 -0.04 0.00 0.34 0.00 0.00 59.36 60.26 1wjp h GLU 74 Cb 2.12 0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 30.88 1wjp h GLU 74 CO -0.04 -0.40 -0.13 0.00 -1.16 0.00 0.00 179.01 177.28 1wjp n MET 76 N -1.11 -1.35 -4.00 0.00 2.81 0.46 -4.93 117.12 109.01 1wjp n MET 76 Ca 0.21 0.21 -0.33 0.00 -1.81 0.00 0.00 57.70 55.98 1wjp n MET 76 Cb 0.79 -3.58 -0.14 0.00 -0.71 0.00 0.00 33.22 29.57 1wjp n MET 76 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 1wjp s ARG 77 N -7.03 2.13 0.40 0.03 3.52 -0.91 -4.88 118.95 112.20 1wjp s ARG 77 Ca 0.20 -1.46 -0.18 0.00 -0.13 0.00 0.00 55.73 54.15 1wjp s ARG 77 Cb -0.10 -3.08 -0.10 0.00 -1.56 0.00 0.00 34.95 30.11 1wjp s ARG 77 CO 0.95 -0.69 0.87 0.99 -0.81 0.00 0.00 175.30 176.61 1wjp s THR 78 N 1.11 4.51 0.35 4.11 2.01 -1.26 -1.27 115.64 125.20 1wjp s THR 78 Ca -0.03 1.26 0.03 0.00 0.31 0.00 0.00 61.69 63.26 1wjp s THR 78 Cb -0.20 -3.62 -0.01 0.00 0.01 0.00 0.00 72.50 68.68 1wjp s THR 78 CO -0.04 -0.31 0.11 0.49 -0.69 0.00 0.00 174.62 174.17 1wjp n PHE 79 N -0.64 0.23 0.01 4.92 3.01 -0.44 -4.96 117.46 119.59 1wjp n PHE 79 Ca 0.06 -2.17 -0.22 0.00 1.01 0.00 0.00 57.45 56.12 1wjp n PHE 79 Cb 0.54 -0.04 -0.14 0.00 -0.01 0.00 0.00 39.48 39.83 1wjp n PHE 79 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1wjp h LYS 80 N 0.00 0.26 0.00 -1.08 6.56 -1.98 -3.48 116.57 116.85 1wjp h LYS 80 Ca -0.28 -0.45 -0.50 0.00 -1.06 0.00 0.00 60.65 58.37 1wjp h LYS 80 Cb 1.02 0.17 -0.11 0.00 -0.57 0.00 0.00 32.23 32.74 1wjp h LYS 80 CO 0.44 1.21 -0.41 0.43 -2.06 0.00 0.00 179.45 179.07 1wjp n SER 81 N -3.71 1.34 -0.00 0.86 7.64 -1.26 -5.07 113.62 113.42 1wjp n SER 81 Ca -0.29 -2.92 -0.11 0.00 1.01 0.00 0.00 58.87 56.57 1wjp n SER 81 Cb 0.98 0.87 -0.14 0.00 -1.01 0.00 0.00 64.21 64.91 1wjp n SER 81 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1wjp h SER 82 N 1.41 0.09 0.47 6.43 4.64 -1.96 -3.28 113.55 121.35 1wjp h SER 82 Ca -0.29 -0.18 -0.11 0.00 -0.47 0.00 0.00 61.79 60.75 1wjp h SER 82 Cb 1.07 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.12 1wjp h SER 82 CO 0.46 1.16 -0.49 0.15 -0.87 0.00 0.00 176.83 177.23 1wjp h PHE 83 N 0.02 0.04 0.19 4.77 3.57 -1.99 -1.26 116.94 122.27 1wjp h PHE 83 Ca -0.28 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.20 1wjp h PHE 83 Cb 2.00 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.73 1wjp h PHE 83 CO 0.02 0.52 -0.09 0.77 -2.23 0.00 0.00 178.31 177.29 1wjp h SER 84 N 0.02 -0.22 -0.45 0.41 0.02 -1.99 -3.28 113.55 108.07 1wjp h SER 84 Ca -0.00 -0.31 -0.01 0.00 -0.84 0.00 0.00 61.79 60.62 1wjp h SER 84 Cb 0.88 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.46 1wjp h SER 84 CO 0.07 0.30 0.23 -0.29 -1.14 0.00 0.00 176.83 176.00 1wjp h ILE 85 N -0.84 1.17 -0.99 3.27 2.10 -1.61 -2.82 117.51 117.79 1wjp h ILE 85 Ca -0.03 -0.45 0.32 0.00 1.08 0.00 0.00 64.86 65.78 1wjp h ILE 85 Cb 0.52 0.65 -0.18 0.00 -1.09 0.00 0.00 36.82 36.72 1wjp h ILE 85 CO 0.04 0.18 0.18 -0.25 -1.08 0.00 0.00 178.15 177.23 1wjp h TRP 86 N 0.58 0.22 -0.55 2.19 7.01 -1.32 1.43 115.95 125.51 1wjp h TRP 86 Ca 0.16 0.06 -0.07 0.00 2.11 0.00 0.00 58.89 61.15 1wjp h TRP 86 Cb 0.08 0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 27.18 1wjp h TRP 86 CO -0.02 -0.44 0.06 0.00 -2.79 0.00 0.00 178.44 175.25 1wjp h ARG 87 N 0.01 0.89 0.00 2.65 2.47 -1.55 0.29 114.38 119.13 1wjp h ARG 87 Ca 0.67 -0.22 -0.03 0.00 -1.26 0.00 0.00 59.98 59.14 1wjp h ARG 87 Cb 1.53 -0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 29.74 1wjp h ARG 87 CO -0.87 0.85 -0.13 1.25 0.56 0.00 0.00 179.97 181.62 1wjp h HIS 88 N 0.84 0.00 0.00 3.04 -0.00 0.19 0.55 115.15 119.77 1wjp h HIS 88 Ca 0.17 0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 60.44 1wjp h HIS 88 Cb 0.41 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.80 1wjp h HIS 88 CO 0.02 0.13 -1.78 1.04 -0.00 0.00 0.00 177.93 177.34 1wjp n GLN 89 N -3.35 0.65 0.00 5.26 6.02 -0.26 -2.88 117.38 122.82 1wjp n GLN 89 Ca -0.00 -0.03 0.01 0.00 -0.01 0.00 0.00 57.00 56.96 1wjp n GLN 89 Cb 0.33 -1.63 -0.11 0.00 1.02 0.00 0.00 30.24 29.85 1wjp n GLN 89 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1wjp n VAL 90 N -2.54 0.99 -0.03 5.09 0.31 0.94 0.24 118.33 123.33 1wjp n VAL 90 Ca -0.10 -0.68 -0.14 0.00 -0.01 0.00 0.00 64.34 63.41 1wjp n VAL 90 Cb 0.72 -0.54 -0.14 0.00 -0.91 0.00 0.00 33.84 32.98 1wjp n VAL 90 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1wjp n GLU 91 N -2.74 0.68 -0.04 5.55 1.02 0.19 -3.43 120.64 121.87 1wjp n GLU 91 Ca -0.13 0.24 -0.04 0.00 -0.02 0.00 0.00 57.16 57.22 1wjp n GLU 91 Cb 0.84 -1.72 -0.01 0.00 -0.02 0.00 0.00 31.44 30.53 1wjp n GLU 91 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1wjp n VAL 92 N -3.18 0.65 0.37 2.62 0.31 -1.14 -4.59 118.33 113.38 1wjp n VAL 92 Ca -0.26 0.35 0.14 0.00 -0.01 0.00 0.00 64.34 64.55 1wjp n VAL 92 Cb 1.06 -1.87 0.42 0.00 -0.91 0.00 0.00 33.84 32.53 1wjp n VAL 92 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 1wjp h HIS 93 N -0.44 0.00 -6.19 3.52 3.86 -1.55 -3.48 115.15 110.87 1wjp h HIS 93 Ca 0.00 0.00 -0.43 0.00 -1.16 0.00 0.00 60.37 58.78 1wjp h HIS 93 Cb 0.42 0.00 0.05 0.00 1.06 0.00 0.00 27.41 28.94 1wjp h HIS 93 CO -0.18 0.00 -0.89 -1.71 0.86 0.00 0.00 177.93 176.01 1wjp n ASN 94 N -2.72 -3.04 -4.06 2.45 2.85 0.64 -4.89 115.26 106.50 1wjp n ASN 94 Ca 0.03 -0.94 -0.32 0.00 -0.11 0.00 0.00 54.58 53.25 1wjp n ASN 94 Cb 0.39 -3.64 -0.15 0.00 1.24 0.00 0.00 39.78 37.63 1wjp n ASN 94 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 1wjp s GLN 95 N -5.99 2.00 -0.14 1.20 -1.52 0.13 -4.90 119.66 110.44 1wjp s GLN 95 Ca 0.23 -1.53 -0.03 0.00 -1.95 0.00 0.00 55.36 52.08 1wjp s GLN 95 Cb -0.07 -3.03 -0.04 0.00 -0.22 0.00 0.00 33.01 29.65 1wjp s GLN 95 CO 0.84 -0.71 2.66 0.27 -0.25 0.00 0.00 175.29 178.11 1wjp n ASN 96 N 4.39 5.72 -4.66 5.90 0.23 -1.26 -4.43 115.26 121.15 1wjp n ASN 96 Ca -0.08 -2.70 -0.31 0.00 -0.53 0.00 0.00 54.58 50.97 1wjp n ASN 96 Cb 0.42 -1.23 0.17 0.00 -2.08 0.00 0.00 39.78 37.06 1wjp n ASN 96 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 1wjp s ASN 97 N 1.37 2.88 0.12 0.53 2.47 -1.26 -4.84 114.94 116.20 1wjp s ASN 97 Ca 0.38 2.00 -0.22 0.00 0.42 0.00 0.00 52.86 55.44 1wjp s ASN 97 Cb 0.22 -2.50 -0.13 0.00 -1.45 0.00 0.00 41.25 37.39 1wjp s ASN 97 CO -0.04 -3.10 0.45 1.15 -3.72 0.00 0.00 177.10 171.85 1wjp n MET 98 N -4.22 0.00 -4.04 0.43 0.00 -1.26 -4.96 117.12 103.06 1wjp n MET 98 Ca 0.10 0.00 -0.08 0.00 0.00 0.00 0.00 57.70 57.72 1wjp n MET 98 Cb 0.53 -0.79 -0.10 0.00 0.00 0.00 0.00 33.22 32.86 1wjp n MET 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1wjp s ALA 99 N -0.58 0.36 -1.99 3.17 0.00 -1.26 -5.02 121.76 116.45 1wjp s ALA 99 Ca 0.50 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 51.43 1wjp s ALA 99 Cb -0.72 0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.67 1wjp s ALA 99 CO 0.40 -0.35 0.48 -0.35 0.00 0.00 0.00 175.76 175.95 1wjp n PRO 100 N 0.34 0.49 -0.83 0.00 -0.04 -1.26 -4.28 135.00 129.42 1wjp n PRO 100 Ca -0.16 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.16 1wjp n PRO 100 Cb 0.60 -1.00 -0.11 0.00 -0.04 0.00 0.00 33.50 32.95 1wjp n PRO 100 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1wjp n THR 101 N -0.49 2.57 -4.22 0.52 -2.24 -1.26 -4.80 114.28 104.35 1wjp n THR 101 Ca 0.00 -1.35 -0.13 0.00 -2.27 0.00 0.00 64.05 60.30 1wjp n THR 101 Cb 0.00 -1.99 -0.10 0.00 -2.10 0.00 0.00 70.33 66.14 1wjp n THR 101 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1wjp s SER 102 N 2.33 1.41 0.00 3.42 0.01 -1.26 -4.95 113.70 114.66 1wjp s SER 102 Ca 0.53 -1.05 0.00 0.00 1.31 0.00 0.00 55.95 56.74 1wjp s SER 102 Cb 0.23 0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.52 1wjp s SER 102 CO -0.01 -0.44 0.00 0.61 0.41 0.00 0.00 173.24 173.81 1wjp n GLY 103 N -0.15 2.73 0.00 3.44 0.00 -1.26 -4.88 105.19 105.07 1wjp n GLY 103 Ca -0.10 -0.64 0.08 0.00 0.00 0.00 0.00 46.02 45.35 1wjp n GLY 103 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wjp n PRO 104 N 0.00 0.40 -0.94 1.61 -0.04 -1.26 -4.89 135.00 129.88 1wjp n PRO 104 Ca 0.00 0.05 -0.30 0.00 -0.04 0.00 0.00 63.50 63.20 1wjp n PRO 104 Cb 0.00 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 31.96 1wjp n PRO 104 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wjp n SER 105 N -1.09 -2.23 -3.65 3.54 2.88 -1.26 -4.98 113.62 106.83 1wjp n SER 105 Ca 0.10 0.57 -0.16 0.00 -1.33 0.00 0.00 58.87 58.06 1wjp n SER 105 Cb 0.07 -0.64 -0.07 0.00 -0.75 0.00 0.00 64.21 62.82 1wjp n SER 105 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wjp s SER 106 N -0.73 -0.42 0.00 -3.46 0.15 -1.26 -5.23 113.70 102.75 1wjp s SER 106 Ca 0.43 0.40 0.00 0.00 0.70 0.00 0.00 55.95 57.48 1wjp s SER 106 Cb -0.45 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.30 1wjp s SER 106 CO 0.46 -0.52 0.00 0.61 1.20 0.00 0.00 173.24 175.00