#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 -0.69 0.16 1.61 0.01 -1.26 -5.18 113.70 108.36 1wjp s SER 2 Ca 0.00 1.14 0.04 0.00 1.31 0.00 0.00 55.95 58.44 1wjp s SER 2 Cb 0.00 1.26 -0.05 0.00 0.21 0.00 0.00 66.02 67.44 1wjp s SER 2 CO 0.00 -0.18 -0.07 -0.44 0.41 0.00 0.00 173.24 172.96 1wjp s SER 3 N 1.22 1.70 0.03 2.44 0.01 -1.26 -5.16 113.70 112.68 1wjp s SER 3 Ca -0.07 -1.07 -0.28 0.00 1.31 0.00 0.00 55.95 55.84 1wjp s SER 3 Cb -0.04 0.01 0.10 0.00 0.21 0.00 0.00 66.02 66.30 1wjp s SER 3 CO -0.14 -0.40 1.23 -0.83 0.41 0.00 0.00 173.24 173.50 1wjp s GLY 4 N -3.19 -0.17 -0.23 3.44 0.00 -1.26 -5.19 107.32 100.73 1wjp s GLY 4 Ca 0.20 0.15 -0.30 0.00 0.00 0.00 0.00 44.72 44.77 1wjp s GLY 4 CO 0.02 3.32 1.19 -1.35 0.00 0.00 0.00 173.10 176.29 1wjp s SER 5 N -3.48 -0.19 -0.29 1.64 1.04 -1.26 -5.18 113.70 105.98 1wjp s SER 5 Ca 0.23 0.21 -0.23 0.00 0.48 0.00 0.00 55.95 56.64 1wjp s SER 5 Cb 0.01 0.16 0.17 0.00 0.10 0.00 0.00 66.02 66.45 1wjp s SER 5 CO -0.00 -0.18 1.25 -0.55 0.98 0.00 0.00 173.24 174.74 1wjp s SER 6 N -1.05 -0.21 0.00 7.02 0.15 -1.26 -5.18 113.70 113.17 1wjp s SER 6 Ca 0.04 0.39 0.00 0.00 0.70 0.00 0.00 55.95 57.08 1wjp s SER 6 Cb -0.01 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 1wjp s SER 6 CO -0.04 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 174.95 1wjp n GLY 7 N 2.21 4.36 3.32 9.45 0.00 -1.26 -5.18 105.19 118.10 1wjp n GLY 7 Ca -0.13 -0.86 -0.14 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.00 -1.05 0.03 4.61 0.00 -1.26 -5.17 121.76 116.92 1wjp s ALA 8 Ca 0.00 1.03 0.07 0.00 0.00 0.00 0.00 51.96 53.06 1wjp s ALA 8 Cb 0.00 -0.49 -0.03 0.00 0.00 0.00 0.00 23.12 22.60 1wjp s ALA 8 CO 0.00 -0.23 -0.19 -1.54 0.00 0.00 0.00 175.76 173.81 1wjp s SER 9 N -0.20 3.73 1.21 0.00 1.04 -1.26 -5.14 113.70 113.08 1wjp s SER 9 Ca -0.04 -0.41 -0.17 0.00 0.48 0.00 0.00 55.95 55.81 1wjp s SER 9 Cb -0.03 -0.60 0.25 0.00 0.10 0.00 0.00 66.02 65.74 1wjp s SER 9 CO 0.02 0.27 0.90 -0.81 0.98 0.00 0.00 173.24 174.60 1wjp n PRO 10 N 1.71 -2.77 -3.70 4.02 -0.04 -1.26 -5.08 135.00 127.88 1wjp n PRO 10 Ca -0.16 -1.44 -0.18 0.00 -0.04 0.00 0.00 63.50 61.69 1wjp n PRO 10 Cb 0.52 -1.35 -0.17 0.00 -0.04 0.00 0.00 33.50 32.47 1wjp n PRO 10 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1wjp s VAL 11 N -2.63 -0.13 -0.24 0.52 0.11 -1.26 -5.13 120.40 111.64 1wjp s VAL 11 Ca 0.58 0.34 -0.05 0.00 -2.93 0.00 0.00 61.98 59.93 1wjp s VAL 11 Cb -0.06 -0.18 -0.01 0.00 -1.53 0.00 0.00 36.38 34.61 1wjp s VAL 11 CO 0.45 0.14 -0.00 -1.61 -3.33 0.00 0.00 175.10 170.75 1wjp s GLU 12 N 1.87 3.33 0.05 1.54 2.02 -1.26 -5.07 118.70 121.18 1wjp s GLU 12 Ca 0.00 -0.67 -0.27 0.00 0.02 0.00 0.00 54.97 54.05 1wjp s GLU 12 Cb -0.12 -3.12 0.09 0.00 0.10 0.00 0.00 34.13 31.07 1wjp s GLU 12 CO -0.04 -0.26 0.91 1.21 0.02 0.00 0.00 175.26 177.10 1wjp s ASN 13 N 1.49 -0.30 1.14 -0.19 2.47 -1.26 -5.17 114.94 113.12 1wjp s ASN 13 Ca 0.05 -0.14 -0.15 0.00 0.42 0.00 0.00 52.86 53.03 1wjp s ASN 13 Cb -0.15 0.42 0.26 0.00 -1.45 0.00 0.00 41.25 40.33 1wjp s ASN 13 CO -0.01 -0.72 1.07 -0.54 -3.72 0.00 0.00 177.10 173.17 1wjp s LYS 14 N -3.19 -0.69 -0.16 0.43 3.01 -1.26 -4.96 119.74 112.93 1wjp s LYS 14 Ca 0.08 0.36 -0.28 0.00 -1.01 0.00 0.00 55.97 55.11 1wjp s LYS 14 Cb -0.01 -1.62 -0.01 0.00 -1.01 0.00 0.00 37.83 35.18 1wjp s LYS 14 CO -0.05 -3.45 0.98 -1.21 0.51 0.00 0.00 175.35 172.13 1wjp s GLU 15 N -5.00 4.34 0.04 1.68 0.41 -1.26 -5.04 118.70 113.88 1wjp s GLU 15 Ca 0.68 1.31 0.03 0.00 -0.41 0.00 0.00 54.97 56.57 1wjp s GLU 15 Cb -0.17 -3.58 -0.02 0.00 -1.78 0.00 0.00 34.13 28.58 1wjp s GLU 15 CO 0.59 -0.42 -0.09 0.54 -0.49 0.00 0.00 175.26 175.39 1wjp s VAL 16 N 2.42 0.62 -0.71 2.63 0.11 -1.26 -5.11 120.40 119.11 1wjp s VAL 16 Ca 0.45 -0.99 -0.18 0.00 -2.93 0.00 0.00 61.98 58.33 1wjp s VAL 16 Cb -0.17 -0.65 0.13 0.00 -1.53 0.00 0.00 36.38 34.16 1wjp s VAL 16 CO 0.13 -0.28 0.80 -0.31 -3.33 0.00 0.00 175.10 172.12 1wjp s TYR 17 N -1.18 3.17 0.16 1.54 2.02 -1.26 -4.99 117.35 116.81 1wjp s TYR 17 Ca -0.07 -1.25 -0.07 0.00 -0.37 0.00 0.00 57.07 55.31 1wjp s TYR 17 Cb -0.09 -4.04 -0.06 0.00 -0.40 0.00 0.00 41.96 37.37 1wjp s TYR 17 CO 0.01 -1.28 0.44 -0.65 -1.57 0.00 0.00 175.55 172.50 1wjp s GLN 18 N 2.21 3.71 0.09 -0.62 -0.21 -1.26 -0.03 119.66 123.55 1wjp s GLN 18 Ca 0.17 0.09 -0.30 0.00 0.02 0.00 0.00 55.36 55.34 1wjp s GLN 18 Cb -0.18 -2.80 -0.06 0.00 1.00 0.00 0.00 33.01 30.98 1wjp s GLN 18 CO 0.00 0.43 1.10 0.00 -2.12 0.00 0.00 175.29 174.70 1wjp n ARG 20 N 3.34 1.28 0.00 0.00 5.12 -1.26 0.02 116.66 125.16 1wjp n ARG 20 Ca 0.06 -0.24 0.00 0.00 -1.93 0.00 0.00 57.85 55.74 1wjp n ARG 20 Cb 0.48 -1.51 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 0.08 1.46 0.00 0.55 4.77 -1.26 -4.88 117.00 117.73 1wjp n LEU 21 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1wjp n LEU 21 Cb 0.35 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1wjp n LEU 21 CO 0.03 0.21 -0.14 0.00 -1.33 0.00 0.00 177.39 176.15 1wjp n ASN 23 N -0.93 -2.95 -4.42 0.00 4.13 0.10 -4.96 115.26 106.23 1wjp n ASN 23 Ca 0.00 -0.27 -0.39 0.00 1.68 0.00 0.00 54.58 55.60 1wjp n ASN 23 Cb 0.00 -2.61 -0.12 0.00 -1.54 0.00 0.00 39.78 35.52 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 -3.16 3.28 0.10 5.41 0.00 -1.26 -4.66 121.76 121.46 1wjp s ALA 24 Ca 0.13 -1.47 -0.36 0.00 0.00 0.00 0.00 51.96 50.25 1wjp s ALA 24 Cb -0.06 -2.43 -0.17 0.00 0.00 0.00 0.00 23.12 20.46 1wjp s ALA 24 CO 0.34 -1.02 1.29 1.63 0.00 0.00 0.00 175.76 177.99 1wjp n LYS 25 N 4.99 1.07 -2.74 0.00 5.02 -1.26 -3.02 118.16 122.22 1wjp n LYS 25 Ca -0.13 0.38 -0.22 0.00 -2.02 0.00 0.00 58.31 56.32 1wjp n LYS 25 Cb 0.48 -1.99 0.08 0.00 -0.02 0.00 0.00 35.03 33.58 1wjp n LYS 25 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1wjp s LEU 26 N 0.50 3.11 0.04 -0.35 2.01 0.96 -4.96 118.68 119.99 1wjp s LEU 26 Ca 0.83 -0.43 0.22 0.00 0.01 0.00 0.00 54.13 54.76 1wjp s LEU 26 Cb -0.96 -2.09 -0.20 0.00 0.01 0.00 0.00 46.19 42.95 1wjp s LEU 26 CO 0.48 -1.53 0.72 -1.54 1.01 0.00 0.00 176.35 175.49 1wjp n SER 27 N -2.53 0.35 -3.61 2.29 3.41 -1.26 -4.69 113.62 107.58 1wjp n SER 27 Ca 0.13 0.01 -0.05 0.00 -0.26 0.00 0.00 58.87 58.71 1wjp n SER 27 Cb 0.61 1.38 -0.02 0.00 -0.26 0.00 0.00 64.21 65.92 1wjp n SER 27 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1wjp s SER 28 N -4.59 -0.22 0.29 4.04 0.01 -1.26 -5.00 113.70 106.97 1wjp s SER 28 Ca -0.04 -0.15 0.05 0.00 1.31 0.00 0.00 55.95 57.12 1wjp s SER 28 Cb 0.13 0.34 0.71 0.00 0.21 0.00 0.00 66.02 67.41 1wjp s SER 28 CO 0.86 -0.60 1.76 0.25 0.41 0.00 0.00 173.24 175.93 1wjp h LEU 29 N 2.00 0.69 0.41 2.44 5.85 -1.96 -1.59 115.31 123.14 1wjp h LEU 29 Ca -0.22 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 1wjp h LEU 29 Cb 1.22 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1wjp h LEU 29 CO 0.27 0.23 -0.19 0.25 -0.34 0.00 0.00 178.44 178.66 1wjp h LEU 30 N 0.69 -0.46 -2.00 2.25 5.85 -2.00 -2.12 115.31 117.53 1wjp h LEU 30 Ca 0.56 0.01 0.33 0.00 0.84 0.00 0.00 57.88 59.62 1wjp h LEU 30 Cb 0.89 0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.99 1wjp h LEU 30 CO -0.40 -0.32 0.83 -0.08 -0.34 0.00 0.00 178.44 178.13 1wjp h GLU 31 N -0.56 0.00 -0.23 1.25 4.81 -1.69 0.42 114.58 118.59 1wjp h GLU 31 Ca -0.06 -0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.99 1wjp h GLU 31 Cb 0.42 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.81 1wjp h GLU 31 CO 0.09 0.00 -0.56 0.37 -0.73 0.00 0.00 179.01 178.18 1wjp h GLN 32 N 0.00 0.78 0.00 1.92 4.15 -1.06 0.28 115.11 121.18 1wjp h GLN 32 Ca 0.55 -0.54 -0.05 0.00 0.77 0.00 0.00 58.65 59.38 1wjp h GLN 32 Cb 2.19 0.08 -0.01 0.00 0.21 0.00 0.00 27.48 29.95 1wjp h GLN 32 CO -0.01 1.16 -0.24 0.78 -1.93 0.00 0.00 178.83 178.59 1wjp h GLY 33 N 0.53 0.00 0.00 2.39 0.00 0.08 -2.89 103.07 103.17 1wjp h GLY 33 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 1wjp h GLY 33 CO 0.12 0.00 -0.99 1.44 0.00 0.00 0.00 176.54 177.12 1wjp n SER 34 N -3.31 1.85 0.11 0.19 7.64 -0.35 -3.82 113.62 115.93 1wjp n SER 34 Ca 0.01 0.51 0.20 0.00 1.01 0.00 0.00 58.87 60.60 1wjp n SER 34 Cb 0.49 -0.89 0.74 0.00 -1.01 0.00 0.00 64.21 63.54 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 -0.00 -0.57 0.78 115.15 115.79 1wjp h HIS 35 Ca -0.18 0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.14 1wjp h HIS 35 Cb 0.92 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.32 1wjp h HIS 35 CO -0.12 0.00 -0.25 0.93 -0.00 0.00 0.00 177.93 178.48 1wjp h GLU 36 N 0.00 0.00 -0.11 5.26 5.08 -1.68 -1.06 114.58 122.07 1wjp h GLU 36 Ca 0.18 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.46 1wjp h GLU 36 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1wjp h GLU 36 CO -0.00 0.24 -0.24 0.00 -1.00 0.00 0.00 179.01 178.01 1wjp h ARG 37 N 0.00 0.36 0.14 2.33 3.08 0.49 -2.88 114.38 117.90 1wjp h ARG 37 Ca -0.00 -0.24 -0.31 0.00 0.07 0.00 0.00 59.98 59.50 1wjp h ARG 37 Cb 1.18 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.27 1wjp h ARG 37 CO 0.03 0.84 -1.52 1.37 -1.07 0.00 0.00 179.97 179.62 1wjp h LEU 38 N -0.07 0.48 0.00 3.04 -0.00 -1.61 -3.25 115.31 113.90 1wjp h LEU 38 Ca 0.00 -0.63 0.00 0.00 -0.00 0.00 0.00 57.88 57.26 1wjp h LEU 38 Cb 0.83 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 41.33 1wjp h LEU 38 CO 0.05 1.51 0.00 0.00 -0.00 0.00 0.00 178.44 180.01 1wjp h ARG 40 N 0.00 0.17 -0.58 0.00 1.12 -1.54 -3.37 114.38 110.18 1wjp h ARG 40 Ca 0.00 -0.28 -0.33 0.00 -1.11 0.00 0.00 59.98 58.26 1wjp h ARG 40 Cb 0.03 0.11 -0.19 0.00 -0.01 0.00 0.00 29.97 29.90 1wjp h ARG 40 CO 0.00 1.14 0.10 0.09 -3.11 0.00 0.00 179.97 178.19 1wjp n ASN 41 N -4.19 3.35 0.13 -3.80 3.02 -1.10 -4.73 115.26 107.94 1wjp n ASN 41 Ca -0.21 -3.76 -0.05 0.00 -0.03 0.00 0.00 54.58 50.53 1wjp n ASN 41 Cb 0.76 -0.69 -0.03 0.00 -0.61 0.00 0.00 39.78 39.21 1wjp n ASN 41 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wjp h ALA 42 N 1.17 -0.61 -2.84 5.41 0.00 -1.64 -3.43 119.26 117.32 1wjp h ALA 42 Ca 0.36 -0.08 -0.59 0.00 0.00 0.00 0.00 54.91 54.60 1wjp h ALA 42 Cb 1.86 0.14 -0.40 0.00 0.00 0.00 0.00 17.79 19.39 1wjp h ALA 42 CO 0.68 -0.58 -0.79 0.00 0.00 0.00 0.00 179.25 178.56 1wjp s ALA 43 N -3.67 1.46 -0.42 0.00 0.00 -1.26 -4.28 121.76 113.59 1wjp s ALA 43 Ca -0.05 -2.05 -0.10 0.00 0.00 0.00 0.00 51.96 49.76 1wjp s ALA 43 Cb 0.01 -1.70 0.08 0.00 0.00 0.00 0.00 23.12 21.50 1wjp s ALA 43 CO 0.16 -1.99 0.27 0.08 0.00 0.00 0.00 175.76 174.28 1wjp s VAL 44 N 0.97 4.31 0.03 0.00 1.01 -1.26 -2.30 120.40 123.16 1wjp s VAL 44 Ca 0.16 -1.35 -0.32 0.00 0.00 0.00 0.00 61.98 60.47 1wjp s VAL 44 Cb -0.22 -3.63 -0.10 0.00 0.00 0.00 0.00 36.38 32.43 1wjp s VAL 44 CO -0.06 -0.50 1.91 0.00 0.00 0.00 0.00 175.10 176.45 1wjp n PRO 46 N 6.75 0.49 -0.03 0.00 -0.04 -1.26 0.81 135.00 141.72 1wjp n PRO 46 Ca 0.20 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.61 1wjp n PRO 46 Cb 0.37 -1.08 -0.02 0.00 -0.04 0.00 0.00 33.50 32.73 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 -0.58 0.00 -0.02 0.54 4.01 -1.26 -4.75 117.16 115.10 1wjp n TYR 47 Ca 0.02 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.84 1wjp n TYR 47 Cb 0.01 -0.29 0.18 0.00 -0.31 0.00 0.00 39.34 38.93 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 0.92 -1.43 -2.98 0.00 3.41 0.24 -4.96 113.62 108.82 1wjp n SER 49 Ca 0.15 -0.97 -0.15 0.00 -0.26 0.00 0.00 58.87 57.63 1wjp n SER 49 Cb 0.47 -3.31 0.11 0.00 -0.26 0.00 0.00 64.21 61.22 1wjp n SER 49 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1wjp n LEU 50 N -4.34 0.00 -3.35 1.04 4.77 -1.23 -4.76 117.00 109.13 1wjp n LEU 50 Ca -0.27 -0.71 -0.10 0.00 -0.03 0.00 0.00 56.01 54.89 1wjp n LEU 50 Cb 0.67 -0.52 -0.08 0.00 -2.33 0.00 0.00 43.42 41.16 1wjp n LEU 50 CO 0.72 -1.10 -0.08 -0.13 -1.33 0.00 0.00 177.39 175.47 1wjp s ARG 51 N -4.44 0.36 0.30 3.23 0.52 -1.25 -3.67 118.95 114.01 1wjp s ARG 51 Ca 0.38 0.30 0.03 0.00 -0.52 0.00 0.00 55.73 55.92 1wjp s ARG 51 Cb -0.01 -0.47 0.03 0.00 0.52 0.00 0.00 34.95 35.02 1wjp s ARG 51 CO 0.27 -0.82 0.27 1.19 0.02 0.00 0.00 175.30 176.23 1wjp n PHE 52 N 5.35 -1.36 0.00 -0.53 3.01 -0.97 -4.91 117.46 118.05 1wjp n PHE 52 Ca -0.02 -1.24 -0.21 0.00 1.01 0.00 0.00 57.45 56.98 1wjp n PHE 52 Cb 0.49 -0.26 -0.14 0.00 -0.01 0.00 0.00 39.48 39.57 1wjp n PHE 52 CO 0.00 0.00 0.00 0.35 1.01 0.00 0.00 176.76 178.12 1wjp h PHE 53 N 0.47 0.42 -3.68 1.38 3.57 -1.88 -3.37 116.94 113.86 1wjp h PHE 53 Ca -0.18 -0.31 -0.64 0.00 3.53 0.00 0.00 57.97 60.37 1wjp h PHE 53 Cb 0.69 -0.02 -0.21 0.00 2.79 0.00 0.00 35.95 39.21 1wjp h PHE 53 CO 0.00 1.53 -0.84 -1.12 -2.23 0.00 0.00 178.31 175.65 1wjp s SER 54 N -7.00 3.13 0.00 0.41 0.01 -1.26 -4.73 113.70 104.26 1wjp s SER 54 Ca -0.20 -0.78 0.15 0.00 1.31 0.00 0.00 55.95 56.43 1wjp s SER 54 Cb 0.04 -0.21 0.78 0.00 0.21 0.00 0.00 66.02 66.84 1wjp s SER 54 CO 0.76 0.12 1.40 -0.81 0.41 0.00 0.00 173.24 175.12 1wjp n PRO 55 N 0.73 0.26 0.07 12.44 -0.04 -1.26 -2.06 135.00 145.14 1wjp n PRO 55 Ca -0.16 0.12 0.11 0.00 -0.04 0.00 0.00 63.50 63.53 1wjp n PRO 55 Cb 0.54 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.51 1wjp n PRO 55 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1wjp n GLU 56 N -1.23 0.51 -0.03 0.54 4.71 -1.26 -4.00 120.64 119.88 1wjp n GLU 56 Ca 0.08 0.06 -0.15 0.00 -0.01 0.00 0.00 57.16 57.13 1wjp n GLU 56 Cb 0.11 -1.73 -0.12 0.00 -1.01 0.00 0.00 31.44 28.69 1wjp n GLU 56 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 1wjp h LEU 57 N 0.00 0.20 -2.05 -4.62 3.38 -1.84 -3.25 115.31 107.14 1wjp h LEU 57 Ca 0.00 -0.81 0.05 0.00 0.09 0.00 0.00 57.88 57.21 1wjp h LEU 57 Cb 0.91 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1wjp h LEU 57 CO 0.00 0.99 0.13 0.07 0.09 0.00 0.00 178.44 179.72 1wjp h LYS 58 N -0.56 0.00 0.60 1.13 5.09 -1.73 -2.62 116.57 118.48 1wjp h LYS 58 Ca -0.03 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.68 1wjp h LYS 58 Cb 1.04 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.36 1wjp h LYS 58 CO 0.05 0.00 -0.37 1.96 -2.09 0.00 0.00 179.45 179.00 1wjp h GLN 59 N 0.00 -0.88 -0.17 0.07 4.20 -1.69 0.24 115.11 116.87 1wjp h GLN 59 Ca 0.08 0.06 0.05 0.00 0.06 0.00 0.00 58.65 58.90 1wjp h GLN 59 Cb 0.34 0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 1wjp h GLN 59 CO -0.00 -0.59 0.12 1.05 -0.67 0.00 0.00 178.83 178.74 1wjp h GLU 60 N -0.92 0.00 0.32 1.46 4.11 -1.56 -2.86 114.58 115.14 1wjp h GLU 60 Ca -0.07 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.34 1wjp h GLU 60 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1wjp h GLU 60 CO 0.08 0.00 -0.15 1.25 0.07 0.00 0.00 179.01 180.25 1wjp h HIS 61 N 0.00 -0.40 -0.80 2.06 2.76 -1.17 -3.30 115.15 114.30 1wjp h HIS 61 Ca 0.08 -0.01 0.12 0.00 -2.20 0.00 0.00 60.37 58.36 1wjp h HIS 61 Cb 0.33 0.13 -0.13 0.00 1.55 0.00 0.00 27.41 29.30 1wjp h HIS 61 CO 0.00 -0.17 -0.33 0.39 -1.30 0.00 0.00 177.93 176.53 1wjp n GLU 62 N -5.06 -0.20 -0.29 5.26 1.02 0.78 0.16 120.64 122.31 1wjp n GLU 62 Ca -0.06 1.23 0.11 0.00 -0.02 0.00 0.00 57.16 58.41 1wjp n GLU 62 Cb 0.21 -1.82 0.26 0.00 -0.02 0.00 0.00 31.44 30.07 1wjp n GLU 62 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1wjp h SER 63 N 0.00 0.09 -0.51 1.62 0.87 -1.64 0.26 113.55 114.24 1wjp h SER 63 Ca 0.26 0.17 -0.20 0.00 -1.23 0.00 0.00 61.79 60.80 1wjp h SER 63 Cb 0.46 0.21 -0.12 0.00 -0.44 0.00 0.00 62.40 62.52 1wjp h SER 63 CO -0.79 -0.08 0.12 2.29 -0.53 0.00 0.00 176.83 177.85 1wjp n LYS 64 N -5.16 2.53 -2.70 2.24 2.85 0.43 -4.95 118.16 113.39 1wjp n LYS 64 Ca 0.19 -3.06 -0.43 0.00 -1.05 0.00 0.00 58.31 53.97 1wjp n LYS 64 Cb 0.61 -1.96 -0.03 0.00 -0.65 0.00 0.00 35.03 33.00 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 9.32 0.23 0.00 0.00 9.09 -1.87 0.64 114.58 131.99 1wjp h GLU 66 Ca -0.25 -0.01 -0.12 0.00 0.05 0.00 0.00 59.36 59.03 1wjp h GLU 66 Cb 1.07 -0.05 -0.02 0.00 -1.65 0.00 0.00 28.75 28.10 1wjp h GLU 66 CO 1.11 0.15 -0.57 1.88 0.05 0.00 0.00 179.01 181.64 1wjp h TYR 67 N 0.24 0.00 -0.21 2.06 -1.99 -1.93 -3.22 116.97 111.92 1wjp h TYR 67 Ca 0.53 0.00 0.06 0.00 2.00 0.00 0.00 58.73 61.32 1wjp h TYR 67 Cb 1.63 0.00 -0.07 0.00 2.00 0.00 0.00 36.73 40.29 1wjp h TYR 67 CO -0.00 0.57 -0.33 -0.22 -0.00 0.00 0.00 178.16 178.18 1wjp h LYS 68 N 0.00 -0.34 0.00 4.88 3.64 0.01 0.52 116.57 125.28 1wjp h LYS 68 Ca -0.01 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 1wjp h LYS 68 Cb 1.03 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1wjp h LYS 68 CO 0.07 -0.23 -0.16 1.57 -2.27 0.00 0.00 179.45 178.44 1wjp h LYS 69 N -0.36 0.00 -0.89 1.90 2.10 -1.60 -1.53 116.57 116.20 1wjp h LYS 69 Ca 0.12 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.61 1wjp h LYS 69 Cb 0.55 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 31.78 1wjp h LYS 69 CO -0.41 0.16 0.20 1.28 -2.00 0.00 0.00 179.45 178.67 1wjp n LEU 70 N -4.35 4.48 -4.06 7.07 4.77 0.06 -4.81 117.00 120.17 1wjp n LEU 70 Ca -0.03 -2.32 -0.32 0.00 -0.03 0.00 0.00 56.01 53.31 1wjp n LEU 70 Cb 0.22 -0.65 -0.16 0.00 -2.33 0.00 0.00 43.42 40.50 1wjp n LEU 70 CO 0.36 0.65 -0.50 -0.89 -1.33 0.00 0.00 177.39 175.68 1wjp s THR 71 N -1.95 1.84 -0.95 -5.08 2.01 -0.53 -1.96 115.64 109.02 1wjp s THR 71 Ca 0.32 -0.88 -0.23 0.00 0.31 0.00 0.00 61.69 61.21 1wjp s THR 71 Cb 0.26 -1.73 -0.13 0.00 0.01 0.00 0.00 72.50 70.90 1wjp s THR 71 CO 0.08 0.43 1.92 0.00 -0.69 0.00 0.00 174.62 176.35 1wjp n LEU 73 N 11.05 -0.00 -0.17 0.00 4.77 -1.26 0.58 117.00 131.97 1wjp n LEU 73 Ca 0.47 1.12 -0.04 0.00 -0.03 0.00 0.00 56.01 57.53 1wjp n LEU 73 Cb 0.44 -0.44 -0.04 0.00 -2.33 0.00 0.00 43.42 41.04 1wjp n LEU 73 CO 0.87 -1.17 0.45 -0.62 -1.33 0.00 0.00 177.39 175.59 1wjp n GLU 74 N -4.79 -0.17 -1.18 3.23 4.71 -1.26 -2.33 120.64 118.85 1wjp n GLU 74 Ca 0.18 1.12 -0.07 0.00 -0.01 0.00 0.00 57.16 58.39 1wjp n GLU 74 Cb 0.60 -1.67 0.13 0.00 -1.01 0.00 0.00 31.44 29.49 1wjp n GLU 74 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1wjp n MET 76 N -0.96 -0.63 -3.64 0.00 2.81 0.20 -4.88 117.12 110.02 1wjp n MET 76 Ca 0.30 0.03 -0.39 0.00 -1.81 0.00 0.00 57.70 55.83 1wjp n MET 76 Cb 0.82 -2.56 -0.09 0.00 -0.71 0.00 0.00 33.22 30.68 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 -7.00 2.55 0.43 0.03 6.06 -1.07 -4.83 118.95 115.12 1wjp s ARG 77 Ca 0.21 -2.19 -0.21 0.00 -2.50 0.00 0.00 55.73 51.05 1wjp s ARG 77 Cb -0.12 -3.83 -0.11 0.00 0.06 0.00 0.00 34.95 30.95 1wjp s ARG 77 CO 0.86 -1.17 0.95 0.99 -2.50 0.00 0.00 175.30 174.43 1wjp s THR 78 N 0.56 4.40 0.30 4.11 2.01 -1.26 -1.49 115.64 124.28 1wjp s THR 78 Ca 0.12 1.48 0.03 0.00 0.31 0.00 0.00 61.69 63.63 1wjp s THR 78 Cb -0.21 -3.60 -0.01 0.00 0.01 0.00 0.00 72.50 68.69 1wjp s THR 78 CO -0.04 -0.33 0.12 0.49 -0.69 0.00 0.00 174.62 174.17 1wjp n PHE 79 N -0.66 0.07 0.06 4.92 3.01 -0.83 -4.96 117.46 119.07 1wjp n PHE 79 Ca 0.07 -1.98 -0.21 0.00 1.01 0.00 0.00 57.45 56.34 1wjp n PHE 79 Cb 0.54 0.01 -0.15 0.00 -0.01 0.00 0.00 39.48 39.87 1wjp n PHE 79 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1wjp h LYS 80 N 0.00 0.33 0.00 -1.08 1.63 -1.98 -3.48 116.57 111.99 1wjp h LYS 80 Ca -0.24 -0.56 -0.56 0.00 -0.85 0.00 0.00 60.65 58.45 1wjp h LYS 80 Cb 0.91 0.21 -0.12 0.00 -0.60 0.00 0.00 32.23 32.64 1wjp h LYS 80 CO 0.37 1.27 -0.44 -1.13 -3.45 0.00 0.00 179.45 176.07 1wjp n SER 81 N -4.06 2.09 0.05 4.20 3.41 -1.26 -5.06 113.62 112.99 1wjp n SER 81 Ca -0.15 -3.03 0.02 0.00 -0.26 0.00 0.00 58.87 55.44 1wjp n SER 81 Cb 0.86 0.69 -0.06 0.00 -0.26 0.00 0.00 64.21 65.44 1wjp n SER 81 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1wjp h SER 82 N 1.35 0.00 1.11 4.04 0.87 -1.95 -3.29 113.55 115.69 1wjp h SER 82 Ca -0.34 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.12 1wjp h SER 82 Cb 1.15 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.09 1wjp h SER 82 CO 0.54 0.50 -0.51 0.15 -0.53 0.00 0.00 176.83 176.97 1wjp h PHE 83 N 0.00 0.00 0.22 2.24 3.57 -2.00 -2.85 116.94 118.13 1wjp h PHE 83 Ca -0.13 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.36 1wjp h PHE 83 Cb 1.50 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.24 1wjp h PHE 83 CO 0.00 0.51 -0.11 1.03 -2.23 0.00 0.00 178.31 177.52 1wjp h SER 84 N 0.00 -0.25 -0.58 0.41 0.87 -1.99 -3.30 113.55 108.70 1wjp h SER 84 Ca -0.01 0.01 0.15 0.00 -1.23 0.00 0.00 61.79 60.71 1wjp h SER 84 Cb 1.21 0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 63.21 1wjp h SER 84 CO 0.07 0.20 0.41 -0.29 -0.53 0.00 0.00 176.83 176.69 1wjp h ILE 85 N -1.07 0.76 -0.67 2.23 2.10 -1.68 -1.43 117.51 117.76 1wjp h ILE 85 Ca -0.03 -0.04 0.12 0.00 1.08 0.00 0.00 64.86 65.99 1wjp h ILE 85 Cb 0.23 0.63 -0.09 0.00 -1.09 0.00 0.00 36.82 36.50 1wjp h ILE 85 CO 0.05 0.02 0.22 -0.25 -1.08 0.00 0.00 178.15 177.11 1wjp h TRP 86 N 0.13 0.36 0.00 2.19 7.01 -1.58 0.14 115.95 124.20 1wjp h TRP 86 Ca 0.28 0.04 -0.06 0.00 2.11 0.00 0.00 58.89 61.25 1wjp h TRP 86 Cb 0.93 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.92 1wjp h TRP 86 CO -0.00 0.03 -0.30 0.00 -2.79 0.00 0.00 178.44 175.38 1wjp h ARG 87 N 0.36 0.00 0.00 2.65 2.47 -1.35 -0.17 114.38 118.34 1wjp h ARG 87 Ca 0.35 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 59.01 1wjp h ARG 87 Cb 0.52 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.83 1wjp h ARG 87 CO -0.39 0.30 -0.31 1.25 0.56 0.00 0.00 179.97 181.39 1wjp h HIS 88 N 0.00 0.00 0.00 3.04 -0.00 -0.74 0.57 115.15 118.02 1wjp h HIS 88 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1wjp h HIS 88 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.96 1wjp h HIS 88 CO 0.00 0.31 -1.51 1.04 -0.00 0.00 0.00 177.93 177.77 1wjp n GLN 89 N -3.59 0.52 -0.06 5.26 6.02 -0.71 -2.92 117.38 121.91 1wjp n GLN 89 Ca -0.01 -0.07 -0.06 0.00 -0.01 0.00 0.00 57.00 56.86 1wjp n GLN 89 Cb 0.44 -1.60 -0.15 0.00 1.02 0.00 0.00 30.24 29.95 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 -2.24 1.20 0.00 5.09 0.31 -0.13 0.22 118.33 122.79 1wjp n VAL 90 Ca -0.01 -0.78 -0.22 0.00 -0.01 0.00 0.00 64.34 63.32 1wjp n VAL 90 Cb 0.52 -0.52 -0.14 0.00 -0.91 0.00 0.00 33.84 32.79 1wjp n VAL 90 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1wjp h GLU 91 N 0.00 0.26 0.00 5.55 5.08 -0.04 -3.17 114.58 122.25 1wjp h GLU 91 Ca -0.38 -0.44 0.00 0.00 -1.00 0.00 0.00 59.36 57.54 1wjp h GLU 91 Cb 1.95 0.16 0.00 0.00 0.50 0.00 0.00 28.75 31.37 1wjp h GLU 91 CO 0.04 1.21 -0.25 0.28 -1.00 0.00 0.00 179.01 179.29 1wjp h VAL 92 N -0.01 0.00 -0.01 3.13 2.07 -1.66 -3.41 116.25 116.36 1wjp h VAL 92 Ca -0.41 -0.52 -0.20 0.00 0.82 0.00 0.00 66.70 66.39 1wjp h VAL 92 Cb 1.98 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1wjp h VAL 92 CO 0.07 0.00 -0.86 0.45 0.02 0.00 0.00 177.57 177.25 1wjp h HIS 93 N -0.52 0.39 -4.58 1.57 3.86 -1.59 -3.48 115.15 110.79 1wjp h HIS 93 Ca 0.00 -0.21 -0.23 0.00 -1.16 0.00 0.00 60.37 58.78 1wjp h HIS 93 Cb 0.25 -0.05 0.12 0.00 1.06 0.00 0.00 27.41 28.79 1wjp h HIS 93 CO -0.11 1.01 -0.55 -1.71 0.86 0.00 0.00 177.93 177.43 1wjp n ASN 94 N -3.71 -2.33 -4.14 2.45 2.85 0.61 -4.91 115.26 106.09 1wjp n ASN 94 Ca -0.04 -0.44 -0.37 0.00 -0.11 0.00 0.00 54.58 53.62 1wjp n ASN 94 Cb 0.79 -3.77 -0.11 0.00 1.24 0.00 0.00 39.78 37.93 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 -4.87 2.08 -0.44 1.20 -1.52 0.11 -4.91 119.66 111.32 1wjp s GLN 95 Ca 0.03 -1.77 0.04 0.00 -1.95 0.00 0.00 55.36 51.71 1wjp s GLN 95 Cb -0.00 -3.59 0.45 0.00 -0.22 0.00 0.00 33.01 29.64 1wjp s GLN 95 CO 0.51 -1.05 1.45 0.27 -0.25 0.00 0.00 175.29 176.22 1wjp n ASN 96 N 4.63 5.76 -0.05 5.90 6.94 -1.26 -4.61 115.26 132.57 1wjp n ASN 96 Ca -0.04 -3.76 -0.03 0.00 -0.02 0.00 0.00 54.58 50.74 1wjp n ASN 96 Cb 0.41 -0.56 -0.01 0.00 -2.36 0.00 0.00 39.78 37.26 1wjp n ASN 96 CO 0.00 0.00 0.00 -1.13 -1.03 0.00 0.00 177.26 175.10 1wjp h ASN 97 N 2.24 0.00 -3.69 0.53 -0.00 -2.00 -3.46 115.58 109.21 1wjp h ASN 97 Ca 0.43 0.00 -0.65 0.00 -0.00 0.00 0.00 56.30 56.08 1wjp h ASN 97 Cb 1.18 0.00 -0.22 0.00 -0.00 0.00 0.00 38.32 39.28 1wjp h ASN 97 CO 1.03 0.57 -0.60 -0.04 -0.00 0.00 0.00 177.43 178.39 1wjp s MET 98 N -1.88 3.66 0.11 6.67 -1.94 -1.26 -5.09 119.30 119.57 1wjp s MET 98 Ca -0.09 -0.49 0.07 0.00 -1.71 0.00 0.00 55.69 53.47 1wjp s MET 98 Cb 0.01 -3.41 -0.04 0.00 2.01 0.00 0.00 34.83 33.40 1wjp s MET 98 CO 0.13 -0.22 -0.16 0.00 -0.01 0.00 0.00 175.02 174.76 1wjp s ALA 99 N 1.64 1.59 -2.00 3.03 0.00 -1.26 -5.01 121.76 119.75 1wjp s ALA 99 Ca 0.06 -1.26 0.07 0.00 0.00 0.00 0.00 51.96 50.83 1wjp s ALA 99 Cb -0.16 -0.14 0.41 0.00 0.00 0.00 0.00 23.12 23.23 1wjp s ALA 99 CO 0.05 0.20 0.86 -0.35 0.00 0.00 0.00 175.76 176.52 1wjp n PRO 100 N 0.78 0.48 -2.91 0.00 -0.04 -1.26 -4.74 135.00 127.31 1wjp n PRO 100 Ca -0.17 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.88 1wjp n PRO 100 Cb 0.56 -1.22 -0.04 0.00 -0.04 0.00 0.00 33.50 32.75 1wjp n PRO 100 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1wjp s THR 101 N -2.00 4.96 -0.30 0.52 -4.23 -1.26 -5.01 115.64 108.32 1wjp s THR 101 Ca 0.10 1.67 -0.15 0.00 -1.18 0.00 0.00 61.69 62.12 1wjp s THR 101 Cb 0.05 -4.14 0.18 0.00 1.34 0.00 0.00 72.50 69.92 1wjp s THR 101 CO 0.08 0.18 1.12 -0.55 -0.54 0.00 0.00 174.62 174.91 1wjp s SER 102 N 0.93 -0.32 -0.30 3.99 0.15 -1.26 -5.13 113.70 111.76 1wjp s SER 102 Ca 0.42 0.27 -0.29 0.00 0.70 0.00 0.00 55.95 57.05 1wjp s SER 102 Cb -0.18 1.30 -0.01 0.00 -1.71 0.00 0.00 66.02 65.41 1wjp s SER 102 CO 0.20 -0.06 1.47 -0.83 1.20 0.00 0.00 173.24 175.22 1wjp s GLY 103 N 2.74 1.22 0.41 9.45 0.00 -1.26 -4.99 107.32 114.89 1wjp s GLY 103 Ca -0.03 0.19 -0.25 0.00 0.00 0.00 0.00 44.72 44.63 1wjp s GLY 103 CO -0.12 2.82 1.19 2.56 0.00 0.00 0.00 173.10 179.55 1wjp s PRO 104 N 4.62 3.99 0.01 2.90 0.04 -1.26 -4.98 135.00 140.32 1wjp s PRO 104 Ca 0.64 1.87 -0.30 0.00 0.04 0.00 0.00 61.00 63.25 1wjp s PRO 104 Cb -0.19 -2.64 -0.05 0.00 0.04 0.00 0.00 34.50 31.66 1wjp s PRO 104 CO 0.28 -0.38 1.19 0.45 0.04 0.00 0.00 177.00 178.58 1wjp s SER 105 N -1.12 7.08 -0.04 6.66 0.15 -1.26 -5.03 113.70 120.15 1wjp s SER 105 Ca 0.58 1.92 -0.02 0.00 0.70 0.00 0.00 55.95 59.13 1wjp s SER 105 Cb -0.31 -2.57 0.02 0.00 -1.71 0.00 0.00 66.02 61.45 1wjp s SER 105 CO 0.39 -0.50 0.08 -0.55 1.20 0.00 0.00 173.24 173.86 1wjp s SER 106 N 1.23 -0.05 0.00 5.45 0.15 -1.26 -5.35 113.70 113.87 1wjp s SER 106 Ca 0.57 0.16 0.00 0.00 0.70 0.00 0.00 55.95 57.39 1wjp s SER 106 Cb -0.27 0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.14 1wjp s SER 106 CO 0.26 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.23